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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/test-85026650/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-85026650/inputs/seq.fa: 1 curr_seq: _ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCUGGUUUCUCUUCAGAUCGCAUAAAUCUUUCGCCUUUUACUAAAGAUUUCCGUGGAGAGGAACAACUCUGAGUCUUAACCCAAUUUUUUGAGGCCUUGCUUUGGCAAGGCUA 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 115 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: 580 n_atoms_counter: 580 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 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: 1 Temperature: 1.050000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -452.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.421630 (E_RNA) where: Base-Base interactions energy: -4.625 where: short stacking energy: -4.625 Base-Backbone interact. energy: -0.000 local terms energy: -447.796618 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -51.264 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -573.272349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.272349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.272349 (E_RNA) where: Base-Base interactions energy: -240.883 where: short stacking energy: -227.829 Base-Backbone interact. energy: -0.680 local terms energy: -331.709613 where: bonds (distance) C4'-P energy: -80.138 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -54.547 tors. eta vs tors. theta energy: -45.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -537.157373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.157373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.157373 (E_RNA) where: Base-Base interactions energy: -225.547 where: short stacking energy: -214.691 Base-Backbone interact. energy: 0.054 local terms energy: -311.664810 where: bonds (distance) C4'-P energy: -73.040 bonds (distance) P-C4' energy: -74.406 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -47.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -501.008554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.008554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.008554 (E_RNA) where: Base-Base interactions energy: -188.250 where: short stacking energy: -184.120 Base-Backbone interact. energy: -0.534 local terms energy: -312.224236 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -76.139 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -51.399 tors. eta vs tors. theta energy: -42.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -498.374101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.374101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.374101 (E_RNA) where: Base-Base interactions energy: -206.775 where: short stacking energy: -194.980 Base-Backbone interact. energy: -0.447 local terms energy: -291.151706 where: bonds (distance) C4'-P energy: -72.150 bonds (distance) P-C4' energy: -68.052 flat angles C4'-P-C4' energy: -67.748 flat angles P-C4'-P energy: -37.668 tors. eta vs tors. theta energy: -45.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -457.104125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.104125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.104125 (E_RNA) where: Base-Base interactions energy: -129.892 where: short stacking energy: -129.892 Base-Backbone interact. energy: -0.001 local terms energy: -327.211232 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -73.407 flat angles C4'-P-C4' energy: -78.806 flat angles P-C4'-P energy: -65.481 tors. eta vs tors. theta energy: -45.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -454.433311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.433311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.433311 (E_RNA) where: Base-Base interactions energy: -77.775 where: short stacking energy: -77.775 Base-Backbone interact. energy: -0.001 local terms energy: -376.658050 where: bonds (distance) C4'-P energy: -88.752 bonds (distance) P-C4' energy: -75.222 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: -53.082 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -452.844425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.844425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.844425 (E_RNA) where: Base-Base interactions energy: -39.929 where: short stacking energy: -39.929 Base-Backbone interact. energy: -0.000 local terms energy: -412.915001 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -82.049 flat angles C4'-P-C4' energy: -82.646 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -55.659 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -454.313370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.313370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.313370 (E_RNA) where: Base-Base interactions energy: -53.943 where: short stacking energy: -53.943 Base-Backbone interact. energy: -0.000 local terms energy: -400.370523 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -77.129 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -89.535 tors. eta vs tors. theta energy: -55.505 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -452.795337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.795337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.795337 (E_RNA) where: Base-Base interactions energy: -6.684 where: short stacking energy: -6.684 Base-Backbone interact. energy: -0.000 local terms energy: -446.111125 where: bonds (distance) C4'-P energy: -111.090 bonds (distance) P-C4' energy: -103.769 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -51.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -452.681815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.681815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.681815 (E_RNA) where: Base-Base interactions energy: -6.684 where: short stacking energy: -6.684 Base-Backbone interact. energy: -0.000 local terms energy: -445.997235 where: bonds (distance) C4'-P energy: -111.090 bonds (distance) P-C4' energy: -103.769 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -96.172 tors. eta vs tors. theta energy: -51.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -699.971931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.971931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.971931 (E_RNA) where: Base-Base interactions energy: -340.911 where: short stacking energy: -255.170 Base-Backbone interact. energy: -1.940 local terms energy: -357.120756 where: bonds (distance) C4'-P energy: -74.172 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -79.898 flat angles P-C4'-P energy: -59.404 tors. eta vs tors. theta energy: -71.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -663.239448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.239448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.239448 (E_RNA) where: Base-Base interactions energy: -349.134 where: short stacking energy: -216.483 Base-Backbone interact. energy: 1.703 local terms energy: -315.808893 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -75.192 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -53.422 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -505.593011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.593011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.593011 (E_RNA) where: Base-Base interactions energy: -195.217 where: short stacking energy: -161.604 Base-Backbone interact. energy: 0.976 local terms energy: -311.352078 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -72.725 flat angles C4'-P-C4' energy: -69.675 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: -37.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -510.540343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.540343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.540343 (E_RNA) where: Base-Base interactions energy: -220.378 where: short stacking energy: -171.515 Base-Backbone interact. energy: -2.915 local terms energy: -287.246693 where: bonds (distance) C4'-P energy: -77.329 bonds (distance) P-C4' energy: -81.281 flat angles C4'-P-C4' energy: -56.905 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -34.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -505.992594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.992594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.992594 (E_RNA) where: Base-Base interactions energy: -237.244 where: short stacking energy: -137.102 Base-Backbone interact. energy: -0.573 local terms energy: -268.175720 where: bonds (distance) C4'-P energy: -70.237 bonds (distance) P-C4' energy: -66.054 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -18.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -415.463768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.463768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.463768 (E_RNA) where: Base-Base interactions energy: -184.276 where: short stacking energy: -121.814 Base-Backbone interact. energy: -0.376 local terms energy: -230.811713 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -49.888 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -5.295 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: 3 Temperature: 1.200000 Total energy: -431.890813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.890813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.890813 (E_RNA) where: Base-Base interactions energy: -171.226 where: short stacking energy: -130.101 Base-Backbone interact. energy: -0.762 local terms energy: -259.902694 where: bonds (distance) C4'-P energy: -51.299 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -71.005 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -29.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -353.578634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.578634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.578634 (E_RNA) where: Base-Base interactions energy: -151.799 where: short stacking energy: -75.963 Base-Backbone interact. energy: -2.858 local terms energy: -198.920993 where: bonds (distance) C4'-P energy: -50.325 bonds (distance) P-C4' energy: -62.696 flat angles C4'-P-C4' energy: -52.623 flat angles P-C4'-P energy: -38.140 tors. eta vs tors. theta energy: 4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -310.249346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.249346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.249346 (E_RNA) where: Base-Base interactions energy: -87.424 where: short stacking energy: -82.302 Base-Backbone interact. energy: -1.973 local terms energy: -220.852123 where: bonds (distance) C4'-P energy: -66.547 bonds (distance) P-C4' energy: -60.379 flat angles C4'-P-C4' energy: -50.137 flat angles P-C4'-P energy: -37.594 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -288.901055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.901055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.901055 (E_RNA) where: Base-Base interactions energy: -85.452 where: short stacking energy: -74.334 Base-Backbone interact. energy: -0.797 local terms energy: -202.652687 where: bonds (distance) C4'-P energy: -55.016 bonds (distance) P-C4' energy: -69.874 flat angles C4'-P-C4' energy: -53.866 flat angles P-C4'-P energy: -18.672 tors. eta vs tors. theta energy: -5.225 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -729.190494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.190494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.190494 (E_RNA) where: Base-Base interactions energy: -372.260 where: short stacking energy: -260.399 Base-Backbone interact. energy: 1.026 local terms energy: -357.956546 where: bonds (distance) C4'-P energy: -78.169 bonds (distance) P-C4' energy: -72.899 flat angles C4'-P-C4' energy: -83.900 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -64.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -699.557742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.557742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.557742 (E_RNA) where: Base-Base interactions energy: -393.395 where: short stacking energy: -207.023 Base-Backbone interact. energy: -0.940 local terms energy: -305.222614 where: bonds (distance) C4'-P energy: -73.327 bonds (distance) P-C4' energy: -73.202 flat angles C4'-P-C4' energy: -67.587 flat angles P-C4'-P energy: -50.581 tors. eta vs tors. theta energy: -40.526 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -598.293603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.293603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.293603 (E_RNA) where: Base-Base interactions energy: -296.083 where: short stacking energy: -216.976 Base-Backbone interact. energy: -1.970 local terms energy: -300.240016 where: bonds (distance) C4'-P energy: -69.953 bonds (distance) P-C4' energy: -76.610 flat angles C4'-P-C4' energy: -66.525 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -40.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -513.753013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.753013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.753013 (E_RNA) where: Base-Base interactions energy: -249.636 where: short stacking energy: -166.400 Base-Backbone interact. energy: -0.719 local terms energy: -263.397865 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -73.129 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -28.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -521.569581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.569581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.569581 (E_RNA) where: Base-Base interactions energy: -271.509 where: short stacking energy: -180.055 Base-Backbone interact. energy: -1.157 local terms energy: -248.903803 where: bonds (distance) C4'-P energy: -60.104 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -28.046 tors. eta vs tors. theta energy: -31.431 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: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -385.347189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.347189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.347189 (E_RNA) where: Base-Base interactions energy: -164.615 where: short stacking energy: -143.063 Base-Backbone interact. energy: -2.306 local terms energy: -218.425857 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -55.133 flat angles P-C4'-P energy: -29.948 tors. eta vs tors. theta energy: -8.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -471.901245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.901245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.901245 (E_RNA) where: Base-Base interactions energy: -225.772 where: short stacking energy: -118.589 Base-Backbone interact. energy: -3.963 local terms energy: -242.166696 where: bonds (distance) C4'-P energy: -65.678 bonds (distance) P-C4' energy: -65.891 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -22.900 tors. eta vs tors. theta energy: -12.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -359.484620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.484620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.484620 (E_RNA) where: Base-Base interactions energy: -126.259 where: short stacking energy: -97.609 Base-Backbone interact. energy: -0.429 local terms energy: -232.796052 where: bonds (distance) C4'-P energy: -53.921 bonds (distance) P-C4' energy: -72.359 flat angles C4'-P-C4' energy: -53.401 flat angles P-C4'-P energy: -41.980 tors. eta vs tors. theta energy: -11.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -341.690041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.690041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.690041 (E_RNA) where: Base-Base interactions energy: -138.311 where: short stacking energy: -92.203 Base-Backbone interact. energy: -2.330 local terms energy: -201.049372 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -49.774 flat angles C4'-P-C4' energy: -56.704 flat angles P-C4'-P energy: -32.882 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -306.665758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.665758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.665758 (E_RNA) where: Base-Base interactions energy: -117.979 where: short stacking energy: -92.441 Base-Backbone interact. energy: -2.247 local terms energy: -186.439533 where: bonds (distance) C4'-P energy: -52.259 bonds (distance) P-C4' energy: -55.536 flat angles C4'-P-C4' energy: -45.703 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: 4.848 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -767.133768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.133768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.133768 (E_RNA) where: Base-Base interactions energy: -432.585 where: short stacking energy: -270.424 Base-Backbone interact. energy: -0.784 local terms energy: -333.765032 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -72.961 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -62.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -749.603462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.603462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.603462 (E_RNA) where: Base-Base interactions energy: -438.324 where: short stacking energy: -225.887 Base-Backbone interact. energy: -1.132 local terms energy: -310.147079 where: bonds (distance) C4'-P energy: -70.050 bonds (distance) P-C4' energy: -74.001 flat angles C4'-P-C4' energy: -78.021 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -42.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -674.880883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.880883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.880883 (E_RNA) where: Base-Base interactions energy: -358.906 where: short stacking energy: -224.968 Base-Backbone interact. energy: -0.989 local terms energy: -314.985852 where: bonds (distance) C4'-P energy: -66.559 bonds (distance) P-C4' energy: -78.240 flat angles C4'-P-C4' energy: -63.450 flat angles P-C4'-P energy: -54.958 tors. eta vs tors. theta energy: -51.779 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: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -549.441824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.441824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.441824 (E_RNA) where: Base-Base interactions energy: -255.612 where: short stacking energy: -181.785 Base-Backbone interact. energy: -0.690 local terms energy: -293.140550 where: bonds (distance) C4'-P energy: -71.953 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -69.174 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -45.393 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -535.083362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.083362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.083362 (E_RNA) where: Base-Base interactions energy: -256.006 where: short stacking energy: -163.772 Base-Backbone interact. energy: 1.753 local terms energy: -280.829865 where: bonds (distance) C4'-P energy: -72.207 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -64.348 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: -22.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -542.100907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.100907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.100907 (E_RNA) where: Base-Base interactions energy: -296.890 where: short stacking energy: -176.175 Base-Backbone interact. energy: -1.655 local terms energy: -243.555856 where: bonds (distance) C4'-P energy: -52.173 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -60.925 flat angles P-C4'-P energy: -29.938 tors. eta vs tors. theta energy: -31.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -394.718465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.718465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.718465 (E_RNA) where: Base-Base interactions energy: -141.312 where: short stacking energy: -124.696 Base-Backbone interact. energy: 2.032 local terms energy: -255.438193 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -66.576 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -13.832 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -449.117826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.117826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.117826 (E_RNA) where: Base-Base interactions energy: -218.845 where: short stacking energy: -117.269 Base-Backbone interact. energy: 1.248 local terms energy: -231.520655 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -64.271 flat angles C4'-P-C4' energy: -63.863 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -9.909 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -326.313461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.313461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.313461 (E_RNA) where: Base-Base interactions energy: -90.633 where: short stacking energy: -85.045 Base-Backbone interact. energy: -0.823 local terms energy: -234.857712 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -76.024 flat angles C4'-P-C4' energy: -47.658 flat angles P-C4'-P energy: -43.053 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -285.821167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.821167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.821167 (E_RNA) where: Base-Base interactions energy: -93.239 where: short stacking energy: -68.296 Base-Backbone interact. energy: -1.732 local terms energy: -190.850649 where: bonds (distance) C4'-P energy: -62.018 bonds (distance) P-C4' energy: -58.298 flat angles C4'-P-C4' energy: -56.078 flat angles P-C4'-P energy: -36.954 tors. eta vs tors. theta energy: 22.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -804.226585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.226585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.226585 (E_RNA) where: Base-Base interactions energy: -477.475 where: short stacking energy: -246.597 Base-Backbone interact. energy: -0.652 local terms energy: -326.100204 where: bonds (distance) C4'-P energy: -75.143 bonds (distance) P-C4' energy: -75.165 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: -50.663 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -768.395309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.395309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.395309 (E_RNA) where: Base-Base interactions energy: -429.498 where: short stacking energy: -262.206 Base-Backbone interact. energy: -1.127 local terms energy: -337.770379 where: bonds (distance) C4'-P energy: -69.790 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -47.373 tors. eta vs tors. theta energy: -69.334 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: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -688.490911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.490911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.490911 (E_RNA) where: Base-Base interactions energy: -369.508 where: short stacking energy: -198.462 Base-Backbone interact. energy: -0.801 local terms energy: -318.181755 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -77.762 flat angles C4'-P-C4' energy: -66.705 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -48.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -599.248645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.248645 (E_RNA) where: Base-Base interactions energy: -303.324 where: short stacking energy: -198.889 Base-Backbone interact. energy: -0.386 local terms energy: -295.538435 where: bonds (distance) C4'-P energy: -69.217 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -60.343 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -41.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -647.701997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.701997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.701997 (E_RNA) where: Base-Base interactions energy: -375.712 where: short stacking energy: -188.980 Base-Backbone interact. energy: -1.302 local terms energy: -270.687624 where: bonds (distance) C4'-P energy: -55.912 bonds (distance) P-C4' energy: -74.691 flat angles C4'-P-C4' energy: -64.064 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: -36.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -473.537574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.537574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.537574 (E_RNA) where: Base-Base interactions energy: -213.368 where: short stacking energy: -136.273 Base-Backbone interact. energy: -0.547 local terms energy: -259.622935 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -38.761 tors. eta vs tors. theta energy: -32.460 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -497.098282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.098282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.098282 (E_RNA) where: Base-Base interactions energy: -263.871 where: short stacking energy: -158.567 Base-Backbone interact. energy: 1.634 local terms energy: -234.861221 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -355.686115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.686115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.686115 (E_RNA) where: Base-Base interactions energy: -124.657 where: short stacking energy: -97.470 Base-Backbone interact. energy: 1.712 local terms energy: -232.740955 where: bonds (distance) C4'-P energy: -74.916 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -61.630 flat angles P-C4'-P energy: -29.775 tors. eta vs tors. theta energy: 0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -382.100428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.100428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.100428 (E_RNA) where: Base-Base interactions energy: -157.132 where: short stacking energy: -97.474 Base-Backbone interact. energy: -0.719 local terms energy: -224.249690 where: bonds (distance) C4'-P energy: -66.165 bonds (distance) P-C4' energy: -69.514 flat angles C4'-P-C4' energy: -50.341 flat angles P-C4'-P energy: -32.011 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -272.461900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.461900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.461900 (E_RNA) where: Base-Base interactions energy: -105.816 where: short stacking energy: -93.311 Base-Backbone interact. energy: -0.683 local terms energy: -165.962598 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -47.038 flat angles C4'-P-C4' energy: -46.251 flat angles P-C4'-P energy: -21.959 tors. eta vs tors. theta energy: 9.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -820.780242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.780242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.780242 (E_RNA) where: Base-Base interactions energy: -493.333 where: short stacking energy: -255.870 Base-Backbone interact. energy: 0.028 local terms energy: -327.476069 where: bonds (distance) C4'-P energy: -69.362 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -86.395 flat angles P-C4'-P energy: -47.692 tors. eta vs tors. theta energy: -50.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -739.915255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.915255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.915255 (E_RNA) where: Base-Base interactions energy: -438.546 where: short stacking energy: -240.823 Base-Backbone interact. energy: -0.211 local terms energy: -301.158487 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -71.489 flat angles C4'-P-C4' energy: -71.868 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -48.824 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: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -736.104467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.104467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.104467 (E_RNA) where: Base-Base interactions energy: -418.884 where: short stacking energy: -197.991 Base-Backbone interact. energy: -1.644 local terms energy: -315.576826 where: bonds (distance) C4'-P energy: -71.632 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -53.750 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: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -758.946078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.946078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.946078 (E_RNA) where: Base-Base interactions energy: -465.411 where: short stacking energy: -211.677 Base-Backbone interact. energy: -3.450 local terms energy: -290.084457 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -73.529 flat angles P-C4'-P energy: -36.235 tors. eta vs tors. theta energy: -45.179 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: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -543.584911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.584911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.584911 (E_RNA) where: Base-Base interactions energy: -258.766 where: short stacking energy: -171.432 Base-Backbone interact. energy: 2.209 local terms energy: -287.028400 where: bonds (distance) C4'-P energy: -67.881 bonds (distance) P-C4' energy: -75.183 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: -39.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -546.923662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.923662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.923662 (E_RNA) where: Base-Base interactions energy: -292.376 where: short stacking energy: -163.140 Base-Backbone interact. energy: -0.817 local terms energy: -253.730878 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -40.128 tors. eta vs tors. theta energy: -25.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -490.766420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.766420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.766420 (E_RNA) where: Base-Base interactions energy: -245.938 where: short stacking energy: -147.939 Base-Backbone interact. energy: 0.751 local terms energy: -245.579067 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -64.999 flat angles P-C4'-P energy: -33.193 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -409.183150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.183150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.183150 (E_RNA) where: Base-Base interactions energy: -193.515 where: short stacking energy: -109.007 Base-Backbone interact. energy: 1.768 local terms energy: -217.436838 where: bonds (distance) C4'-P energy: -69.139 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -57.843 flat angles P-C4'-P energy: -26.633 tors. eta vs tors. theta energy: -6.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -306.925300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.925300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.925300 (E_RNA) where: Base-Base interactions energy: -117.346 where: short stacking energy: -85.265 Base-Backbone interact. energy: 2.292 local terms energy: -191.871386 where: bonds (distance) C4'-P energy: -59.300 bonds (distance) P-C4' energy: -64.767 flat angles C4'-P-C4' energy: -49.000 flat angles P-C4'-P energy: -15.352 tors. eta vs tors. theta energy: -3.452 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: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -298.519549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.519549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.519549 (E_RNA) where: Base-Base interactions energy: -100.422 where: short stacking energy: -82.705 Base-Backbone interact. energy: -0.576 local terms energy: -197.521609 where: bonds (distance) C4'-P energy: -50.748 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -54.475 flat angles P-C4'-P energy: -36.406 tors. eta vs tors. theta energy: 9.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -815.394732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.394732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.394732 (E_RNA) where: Base-Base interactions energy: -488.220 where: short stacking energy: -232.851 Base-Backbone interact. energy: -2.722 local terms energy: -324.452114 where: bonds (distance) C4'-P energy: -71.605 bonds (distance) P-C4' energy: -76.447 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -48.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -773.821265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.821265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.821265 (E_RNA) where: Base-Base interactions energy: -474.937 where: short stacking energy: -212.005 Base-Backbone interact. energy: -2.355 local terms energy: -296.528770 where: bonds (distance) C4'-P energy: -62.650 bonds (distance) P-C4' energy: -74.285 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -44.193 tors. eta vs tors. theta energy: -51.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -817.929893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.929893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.929893 (E_RNA) where: Base-Base interactions energy: -518.659 where: short stacking energy: -243.407 Base-Backbone interact. energy: -0.394 local terms energy: -298.876404 where: bonds (distance) C4'-P energy: -67.441 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: -45.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -736.485493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.485493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.485493 (E_RNA) where: Base-Base interactions energy: -448.013 where: short stacking energy: -209.374 Base-Backbone interact. energy: 1.628 local terms energy: -290.101061 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -59.450 flat angles C4'-P-C4' energy: -67.303 flat angles P-C4'-P energy: -50.986 tors. eta vs tors. theta energy: -47.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -601.910628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.910628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.910628 (E_RNA) where: Base-Base interactions energy: -322.740 where: short stacking energy: -191.923 Base-Backbone interact. energy: -2.388 local terms energy: -276.782839 where: bonds (distance) C4'-P energy: -49.795 bonds (distance) P-C4' energy: -69.283 flat angles C4'-P-C4' energy: -63.117 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -46.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -531.939397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.939397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.939397 (E_RNA) where: Base-Base interactions energy: -270.948 where: short stacking energy: -167.321 Base-Backbone interact. energy: -2.000 local terms energy: -258.991683 where: bonds (distance) C4'-P energy: -65.863 bonds (distance) P-C4' energy: -59.212 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -20.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -507.044884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.044884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.044884 (E_RNA) where: Base-Base interactions energy: -247.462 where: short stacking energy: -149.050 Base-Backbone interact. energy: 0.076 local terms energy: -259.658599 where: bonds (distance) C4'-P energy: -58.374 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -66.430 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -20.250 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: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -414.479773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.479773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.479773 (E_RNA) where: Base-Base interactions energy: -184.917 where: short stacking energy: -110.741 Base-Backbone interact. energy: -2.218 local terms energy: -227.344574 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -66.496 flat angles C4'-P-C4' energy: -61.004 flat angles P-C4'-P energy: -26.265 tors. eta vs tors. theta energy: -14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -341.556732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.556732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.556732 (E_RNA) where: Base-Base interactions energy: -99.603 where: short stacking energy: -76.197 Base-Backbone interact. energy: 2.448 local terms energy: -244.401554 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -289.843644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.843644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.843644 (E_RNA) where: Base-Base interactions energy: -110.320 where: short stacking energy: -75.176 Base-Backbone interact. energy: 6.136 local terms energy: -185.659449 where: bonds (distance) C4'-P energy: -51.461 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -42.103 flat angles P-C4'-P energy: -34.116 tors. eta vs tors. theta energy: 11.353 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: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -814.132007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.132007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.132007 (E_RNA) where: Base-Base interactions energy: -495.259 where: short stacking energy: -236.280 Base-Backbone interact. energy: -2.088 local terms energy: -316.784949 where: bonds (distance) C4'-P energy: -66.688 bonds (distance) P-C4' energy: -74.010 flat angles C4'-P-C4' energy: -78.105 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -53.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -911.592673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.592673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.592673 (E_RNA) where: Base-Base interactions energy: -599.167 where: short stacking energy: -281.422 Base-Backbone interact. energy: -3.803 local terms energy: -308.622339 where: bonds (distance) C4'-P energy: -63.359 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -70.984 flat angles P-C4'-P energy: -42.754 tors. eta vs tors. theta energy: -60.676 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: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -806.217017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.217017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.217017 (E_RNA) where: Base-Base interactions energy: -520.784 where: short stacking energy: -212.263 Base-Backbone interact. energy: 0.906 local terms energy: -286.338493 where: bonds (distance) C4'-P energy: -70.931 bonds (distance) P-C4' energy: -70.329 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -38.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -750.923063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.923063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.923063 (E_RNA) where: Base-Base interactions energy: -456.136 where: short stacking energy: -231.448 Base-Backbone interact. energy: 0.662 local terms energy: -295.449949 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -73.962 flat angles P-C4'-P energy: -41.174 tors. eta vs tors. theta energy: -53.975 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: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -632.079874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.079874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.079874 (E_RNA) where: Base-Base interactions energy: -333.854 where: short stacking energy: -194.520 Base-Backbone interact. energy: 0.484 local terms energy: -298.709937 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -40.844 tors. eta vs tors. theta energy: -47.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -592.362038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.362038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.362038 (E_RNA) where: Base-Base interactions energy: -309.345 where: short stacking energy: -171.021 Base-Backbone interact. energy: -1.999 local terms energy: -281.018170 where: bonds (distance) C4'-P energy: -60.345 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -63.275 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -30.473 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: 2 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -464.768031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.768031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.768031 (E_RNA) where: Base-Base interactions energy: -228.690 where: short stacking energy: -158.273 Base-Backbone interact. energy: -0.747 local terms energy: -235.331640 where: bonds (distance) C4'-P energy: -68.812 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -54.338 flat angles P-C4'-P energy: -31.195 tors. eta vs tors. theta energy: -23.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -437.240852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.240852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.240852 (E_RNA) where: Base-Base interactions energy: -209.340 where: short stacking energy: -124.162 Base-Backbone interact. energy: -0.875 local terms energy: -227.025734 where: bonds (distance) C4'-P energy: -67.906 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -57.541 flat angles P-C4'-P energy: -30.283 tors. eta vs tors. theta energy: -11.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -340.628609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.628609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.628609 (E_RNA) where: Base-Base interactions energy: -127.205 where: short stacking energy: -97.911 Base-Backbone interact. energy: 2.681 local terms energy: -216.105323 where: bonds (distance) C4'-P energy: -59.195 bonds (distance) P-C4' energy: -65.716 flat angles C4'-P-C4' energy: -61.179 flat angles P-C4'-P energy: -26.298 tors. eta vs tors. theta energy: -3.717 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: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -296.119366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.119366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.119366 (E_RNA) where: Base-Base interactions energy: -109.290 where: short stacking energy: -101.333 Base-Backbone interact. energy: 0.462 local terms energy: -187.291170 where: bonds (distance) C4'-P energy: -35.688 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -52.100 flat angles P-C4'-P energy: -36.397 tors. eta vs tors. theta energy: -1.458 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: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -951.312855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.312855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.312855 (E_RNA) where: Base-Base interactions energy: -614.014 where: short stacking energy: -294.585 Base-Backbone interact. energy: -2.848 local terms energy: -334.450350 where: bonds (distance) C4'-P energy: -72.221 bonds (distance) P-C4' energy: -68.424 flat angles C4'-P-C4' energy: -75.520 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -67.226 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: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -792.850242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.850242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.850242 (E_RNA) where: Base-Base interactions energy: -467.890 where: short stacking energy: -229.714 Base-Backbone interact. energy: -0.595 local terms energy: -324.365786 where: bonds (distance) C4'-P energy: -79.444 bonds (distance) P-C4' energy: -72.017 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -47.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -840.136993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.136993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.136993 (E_RNA) where: Base-Base interactions energy: -527.242 where: short stacking energy: -244.075 Base-Backbone interact. energy: 2.975 local terms energy: -315.869861 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -68.893 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -42.080 tors. eta vs tors. theta energy: -54.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -744.656885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.656885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.656885 (E_RNA) where: Base-Base interactions energy: -440.395 where: short stacking energy: -218.860 Base-Backbone interact. energy: 2.964 local terms energy: -307.225611 where: bonds (distance) C4'-P energy: -66.878 bonds (distance) P-C4' energy: -75.415 flat angles C4'-P-C4' energy: -76.450 flat angles P-C4'-P energy: -36.248 tors. eta vs tors. theta energy: -52.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -633.448729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.448729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.448729 (E_RNA) where: Base-Base interactions energy: -360.285 where: short stacking energy: -171.475 Base-Backbone interact. energy: -0.830 local terms energy: -272.333480 where: bonds (distance) C4'-P energy: -64.224 bonds (distance) P-C4' energy: -74.540 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -32.132 tors. eta vs tors. theta energy: -32.462 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: 10 Temperature: 1.150000 Total energy: -571.839154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.839154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.839154 (E_RNA) where: Base-Base interactions energy: -287.607 where: short stacking energy: -175.373 Base-Backbone interact. energy: 1.395 local terms energy: -285.627242 where: bonds (distance) C4'-P energy: -72.690 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -72.060 flat angles P-C4'-P energy: -44.494 tors. eta vs tors. theta energy: -31.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -506.447129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.447129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.447129 (E_RNA) where: Base-Base interactions energy: -267.805 where: short stacking energy: -140.164 Base-Backbone interact. energy: -0.379 local terms energy: -238.263176 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -36.802 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: 8, replica: 2 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -385.815462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.815462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.815462 (E_RNA) where: Base-Base interactions energy: -175.045 where: short stacking energy: -108.627 Base-Backbone interact. energy: -1.000 local terms energy: -209.770445 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -67.558 flat angles C4'-P-C4' energy: -49.600 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -338.459166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.459166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.459166 (E_RNA) where: Base-Base interactions energy: -132.679 where: short stacking energy: -84.061 Base-Backbone interact. energy: -2.870 local terms energy: -202.909688 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -50.607 flat angles P-C4'-P energy: -32.567 tors. eta vs tors. theta energy: 11.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -316.704358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.704358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.704358 (E_RNA) where: Base-Base interactions energy: -152.311 where: short stacking energy: -96.151 Base-Backbone interact. energy: -1.610 local terms energy: -162.783602 where: bonds (distance) C4'-P energy: -42.217 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -49.018 flat angles P-C4'-P energy: -18.687 tors. eta vs tors. theta energy: 9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -976.142037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.142037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.142037 (E_RNA) where: Base-Base interactions energy: -610.733 where: short stacking energy: -287.522 Base-Backbone interact. energy: 0.963 local terms energy: -366.371958 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -79.022 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -81.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -940.528250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.528250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.528250 (E_RNA) where: Base-Base interactions energy: -612.380 where: short stacking energy: -263.366 Base-Backbone interact. energy: -1.048 local terms energy: -327.100388 where: bonds (distance) C4'-P energy: -68.986 bonds (distance) P-C4' energy: -71.973 flat angles C4'-P-C4' energy: -71.224 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -60.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -794.499992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.499992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.499992 (E_RNA) where: Base-Base interactions energy: -494.068 where: short stacking energy: -231.767 Base-Backbone interact. energy: 1.194 local terms energy: -301.625533 where: bonds (distance) C4'-P energy: -66.305 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -49.700 tors. eta vs tors. theta energy: -51.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -824.414762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.414762 (E_RNA) where: Base-Base interactions energy: -529.526 where: short stacking energy: -238.124 Base-Backbone interact. energy: -2.545 local terms energy: -292.343849 where: bonds (distance) C4'-P energy: -54.555 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -68.142 flat angles P-C4'-P energy: -32.313 tors. eta vs tors. theta energy: -65.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -623.153270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.153270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.153270 (E_RNA) where: Base-Base interactions energy: -343.128 where: short stacking energy: -159.135 Base-Backbone interact. energy: -0.419 local terms energy: -279.605868 where: bonds (distance) C4'-P energy: -78.001 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -46.065 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: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -554.996430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.996430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.996430 (E_RNA) where: Base-Base interactions energy: -298.095 where: short stacking energy: -146.462 Base-Backbone interact. energy: -2.010 local terms energy: -254.891674 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -68.613 flat angles P-C4'-P energy: -42.478 tors. eta vs tors. theta energy: -21.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -513.490404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.490404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.490404 (E_RNA) where: Base-Base interactions energy: -272.944 where: short stacking energy: -145.515 Base-Backbone interact. energy: 1.306 local terms energy: -241.852163 where: bonds (distance) C4'-P energy: -61.931 bonds (distance) P-C4' energy: -66.940 flat angles C4'-P-C4' energy: -50.163 flat angles P-C4'-P energy: -43.429 tors. eta vs tors. theta energy: -19.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -339.291563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.291563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.291563 (E_RNA) where: Base-Base interactions energy: -129.804 where: short stacking energy: -86.075 Base-Backbone interact. energy: 2.608 local terms energy: -212.095452 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -25.348 tors. eta vs tors. theta energy: 8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -434.337910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.337910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.337910 (E_RNA) where: Base-Base interactions energy: -213.443 where: short stacking energy: -135.053 Base-Backbone interact. energy: -0.135 local terms energy: -220.760345 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -61.657 flat angles C4'-P-C4' energy: -51.647 flat angles P-C4'-P energy: -34.941 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -297.902655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.902655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.902655 (E_RNA) where: Base-Base interactions energy: -117.324 where: short stacking energy: -74.336 Base-Backbone interact. energy: -0.030 local terms energy: -180.549218 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -56.339 flat angles P-C4'-P energy: -17.605 tors. eta vs tors. theta energy: 20.079 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: 12 Temperature: 0.900000 Total energy: -1060.340742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.340742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.340742 (E_RNA) where: Base-Base interactions energy: -701.378 where: short stacking energy: -312.229 Base-Backbone interact. energy: 0.808 local terms energy: -359.770715 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -78.133 flat angles P-C4'-P energy: -48.390 tors. eta vs tors. theta energy: -96.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -945.187222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.187222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.187222 (E_RNA) where: Base-Base interactions energy: -603.486 where: short stacking energy: -251.720 Base-Backbone interact. energy: -2.011 local terms energy: -339.689649 where: bonds (distance) C4'-P energy: -75.942 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -78.461 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -70.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -840.858576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.858576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.858576 (E_RNA) where: Base-Base interactions energy: -531.100 where: short stacking energy: -243.076 Base-Backbone interact. energy: 1.702 local terms energy: -311.461050 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -68.072 flat angles C4'-P-C4' energy: -83.523 flat angles P-C4'-P energy: -43.941 tors. eta vs tors. theta energy: -58.161 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: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -872.931944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.931944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.931944 (E_RNA) where: Base-Base interactions energy: -564.536 where: short stacking energy: -250.382 Base-Backbone interact. energy: -2.878 local terms energy: -305.518181 where: bonds (distance) C4'-P energy: -53.600 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -79.190 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -65.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -668.360368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.360368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.360368 (E_RNA) where: Base-Base interactions energy: -372.586 where: short stacking energy: -187.717 Base-Backbone interact. energy: 0.405 local terms energy: -296.178963 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -70.246 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -40.207 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: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -646.149903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.149903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.149903 (E_RNA) where: Base-Base interactions energy: -381.321 where: short stacking energy: -181.103 Base-Backbone interact. energy: 0.280 local terms energy: -265.108836 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -59.166 flat angles P-C4'-P energy: -48.193 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -485.317737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.317737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.317737 (E_RNA) where: Base-Base interactions energy: -267.207 where: short stacking energy: -167.874 Base-Backbone interact. energy: 3.676 local terms energy: -221.786107 where: bonds (distance) C4'-P energy: -53.121 bonds (distance) P-C4' energy: -47.080 flat angles C4'-P-C4' energy: -56.780 flat angles P-C4'-P energy: -36.654 tors. eta vs tors. theta energy: -28.151 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: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -346.316346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.316346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.316346 (E_RNA) where: Base-Base interactions energy: -140.190 where: short stacking energy: -113.665 Base-Backbone interact. energy: -1.907 local terms energy: -204.218504 where: bonds (distance) C4'-P energy: -59.052 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -49.497 flat angles P-C4'-P energy: -29.507 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -428.723020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.723020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.723020 (E_RNA) where: Base-Base interactions energy: -204.971 where: short stacking energy: -119.191 Base-Backbone interact. energy: 0.026 local terms energy: -223.778302 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -70.707 flat angles C4'-P-C4' energy: -61.948 flat angles P-C4'-P energy: -32.957 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -307.836467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.836467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.836467 (E_RNA) where: Base-Base interactions energy: -110.273 where: short stacking energy: -99.422 Base-Backbone interact. energy: -1.146 local terms energy: -196.417126 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -47.725 flat angles P-C4'-P energy: -26.322 tors. eta vs tors. theta energy: 3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1072.047342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.047342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.047342 (E_RNA) where: Base-Base interactions energy: -712.158 where: short stacking energy: -313.750 Base-Backbone interact. energy: 2.183 local terms energy: -362.072297 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -75.780 flat angles C4'-P-C4' energy: -72.414 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -96.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -955.130602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.130602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.130602 (E_RNA) where: Base-Base interactions energy: -601.803 where: short stacking energy: -248.917 Base-Backbone interact. energy: -4.343 local terms energy: -348.984607 where: bonds (distance) C4'-P energy: -65.901 bonds (distance) P-C4' energy: -68.536 flat angles C4'-P-C4' energy: -82.523 flat angles P-C4'-P energy: -56.135 tors. eta vs tors. theta energy: -75.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -850.765759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.765759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.765759 (E_RNA) where: Base-Base interactions energy: -526.637 where: short stacking energy: -231.558 Base-Backbone interact. energy: 0.356 local terms energy: -324.484431 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -78.824 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -53.889 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: 13 Temperature: 1.050000 Total energy: -897.408643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.408643 (E_RNA) where: Base-Base interactions energy: -577.180 where: short stacking energy: -268.046 Base-Backbone interact. energy: -0.451 local terms energy: -319.777645 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -69.119 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -79.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -739.099643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.099643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.099643 (E_RNA) where: Base-Base interactions energy: -448.387 where: short stacking energy: -214.982 Base-Backbone interact. energy: -1.123 local terms energy: -289.590012 where: bonds (distance) C4'-P energy: -69.847 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -62.489 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -54.324 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: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -613.132055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.132055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.132055 (E_RNA) where: Base-Base interactions energy: -333.967 where: short stacking energy: -194.392 Base-Backbone interact. energy: -2.216 local terms energy: -276.948631 where: bonds (distance) C4'-P energy: -78.082 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -57.338 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -34.765 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: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -491.907276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.907276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.907276 (E_RNA) where: Base-Base interactions energy: -244.814 where: short stacking energy: -97.319 Base-Backbone interact. energy: -1.026 local terms energy: -246.066895 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -70.447 flat angles P-C4'-P energy: -35.248 tors. eta vs tors. theta energy: -16.632 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: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -457.939304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.939304 (E_RNA) where: Base-Base interactions energy: -233.330 where: short stacking energy: -125.854 Base-Backbone interact. energy: -2.019 local terms energy: -222.589810 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -62.839 flat angles P-C4'-P energy: -23.121 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -381.740376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.740376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.740376 (E_RNA) where: Base-Base interactions energy: -168.565 where: short stacking energy: -94.234 Base-Backbone interact. energy: -1.124 local terms energy: -212.051827 where: bonds (distance) C4'-P energy: -62.308 bonds (distance) P-C4' energy: -66.158 flat angles C4'-P-C4' energy: -59.657 flat angles P-C4'-P energy: -36.095 tors. eta vs tors. theta energy: 12.167 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: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -301.951634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.951634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.951634 (E_RNA) where: Base-Base interactions energy: -97.099 where: short stacking energy: -86.399 Base-Backbone interact. energy: 0.865 local terms energy: -205.717709 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -45.191 flat angles P-C4'-P energy: -30.146 tors. eta vs tors. theta energy: -10.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1050.008194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.008194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.008194 (E_RNA) where: Base-Base interactions energy: -686.814 where: short stacking energy: -278.715 Base-Backbone interact. energy: -2.048 local terms energy: -361.146289 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -84.298 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -86.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -955.066364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.066364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.066364 (E_RNA) where: Base-Base interactions energy: -603.147 where: short stacking energy: -278.407 Base-Backbone interact. energy: -2.991 local terms energy: -348.928425 where: bonds (distance) C4'-P energy: -79.708 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -80.338 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -74.352 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: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -951.698624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.698624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.698624 (E_RNA) where: Base-Base interactions energy: -590.127 where: short stacking energy: -290.832 Base-Backbone interact. energy: -0.143 local terms energy: -361.428566 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -78.884 flat angles C4'-P-C4' energy: -77.186 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -90.868 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -815.185670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.185670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.185670 (E_RNA) where: Base-Base interactions energy: -517.069 where: short stacking energy: -219.321 Base-Backbone interact. energy: -0.507 local terms energy: -297.610599 where: bonds (distance) C4'-P energy: -65.241 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -73.561 flat angles P-C4'-P energy: -43.047 tors. eta vs tors. theta energy: -46.757 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: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -760.511431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.511431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.511431 (E_RNA) where: Base-Base interactions energy: -469.098 where: short stacking energy: -237.336 Base-Backbone interact. energy: 5.764 local terms energy: -297.177766 where: bonds (distance) C4'-P energy: -51.930 bonds (distance) P-C4' energy: -72.068 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -61.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -601.907658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.907658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.907658 (E_RNA) where: Base-Base interactions energy: -342.999 where: short stacking energy: -168.190 Base-Backbone interact. energy: 1.541 local terms energy: -260.449575 where: bonds (distance) C4'-P energy: -67.790 bonds (distance) P-C4' energy: -65.967 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -31.368 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: 14 Temperature: 1.200000 Total energy: -537.357791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.357791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.357791 (E_RNA) where: Base-Base interactions energy: -281.700 where: short stacking energy: -166.453 Base-Backbone interact. energy: 0.079 local terms energy: -255.736332 where: bonds (distance) C4'-P energy: -52.813 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -66.389 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -26.775 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: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -475.315778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.315778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.315778 (E_RNA) where: Base-Base interactions energy: -243.827 where: short stacking energy: -124.842 Base-Backbone interact. energy: -2.740 local terms energy: -228.748963 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -67.447 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -26.000 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -340.879727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.879727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.879727 (E_RNA) where: Base-Base interactions energy: -156.298 where: short stacking energy: -98.228 Base-Backbone interact. energy: -1.604 local terms energy: -182.977692 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -49.066 flat angles C4'-P-C4' energy: -44.416 flat angles P-C4'-P energy: -36.272 tors. eta vs tors. theta energy: 13.194 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: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -293.625647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.625647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.625647 (E_RNA) where: Base-Base interactions energy: -128.200 where: short stacking energy: -103.357 Base-Backbone interact. energy: 1.637 local terms energy: -167.062224 where: bonds (distance) C4'-P energy: -43.038 bonds (distance) P-C4' energy: -62.029 flat angles C4'-P-C4' energy: -54.532 flat angles P-C4'-P energy: -16.497 tors. eta vs tors. theta energy: 9.033 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: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1050.302366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.302366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.302366 (E_RNA) where: Base-Base interactions energy: -689.813 where: short stacking energy: -305.212 Base-Backbone interact. energy: 0.503 local terms energy: -360.993046 where: bonds (distance) C4'-P energy: -72.024 bonds (distance) P-C4' energy: -77.216 flat angles C4'-P-C4' energy: -81.380 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -79.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1025.913259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.913259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.913259 (E_RNA) where: Base-Base interactions energy: -690.106 where: short stacking energy: -300.274 Base-Backbone interact. energy: -0.398 local terms energy: -335.409290 where: bonds (distance) C4'-P energy: -77.758 bonds (distance) P-C4' energy: -64.237 flat angles C4'-P-C4' energy: -64.116 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -83.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -926.081021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.081021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.081021 (E_RNA) where: Base-Base interactions energy: -592.593 where: short stacking energy: -280.559 Base-Backbone interact. energy: -1.549 local terms energy: -331.939630 where: bonds (distance) C4'-P energy: -69.321 bonds (distance) P-C4' energy: -68.241 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -78.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -846.620285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.620285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.620285 (E_RNA) where: Base-Base interactions energy: -513.301 where: short stacking energy: -266.564 Base-Backbone interact. energy: 3.533 local terms energy: -336.852617 where: bonds (distance) C4'-P energy: -80.343 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -79.020 flat angles P-C4'-P energy: -41.046 tors. eta vs tors. theta energy: -70.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -739.616314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.616314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.616314 (E_RNA) where: Base-Base interactions energy: -463.553 where: short stacking energy: -216.426 Base-Backbone interact. energy: 2.524 local terms energy: -278.587268 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -65.312 flat angles C4'-P-C4' energy: -61.649 flat angles P-C4'-P energy: -45.213 tors. eta vs tors. theta energy: -48.884 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: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -558.009836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.009836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.009836 (E_RNA) where: Base-Base interactions energy: -283.299 where: short stacking energy: -152.402 Base-Backbone interact. energy: -1.388 local terms energy: -273.322988 where: bonds (distance) C4'-P energy: -77.397 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -62.169 flat angles P-C4'-P energy: -33.553 tors. eta vs tors. theta energy: -19.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -603.584159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.584159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.584159 (E_RNA) where: Base-Base interactions energy: -330.310 where: short stacking energy: -166.715 Base-Backbone interact. energy: -1.225 local terms energy: -272.048931 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -71.765 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -22.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -475.578896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.578896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.578896 (E_RNA) where: Base-Base interactions energy: -256.694 where: short stacking energy: -146.477 Base-Backbone interact. energy: 1.552 local terms energy: -220.436860 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -51.024 flat angles C4'-P-C4' energy: -55.326 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: -13.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -349.010881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.010881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.010881 (E_RNA) where: Base-Base interactions energy: -143.763 where: short stacking energy: -90.210 Base-Backbone interact. energy: 0.434 local terms energy: -205.682534 where: bonds (distance) C4'-P energy: -61.505 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -50.105 flat angles P-C4'-P energy: -38.004 tors. eta vs tors. theta energy: 5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -293.580343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.580343 (E_RNA) where: Base-Base interactions energy: -120.771 where: short stacking energy: -99.265 Base-Backbone interact. energy: 6.098 local terms energy: -178.907775 where: bonds (distance) C4'-P energy: -57.719 bonds (distance) P-C4' energy: -48.528 flat angles C4'-P-C4' energy: -50.670 flat angles P-C4'-P energy: -23.100 tors. eta vs tors. theta energy: 1.109 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: 16 Temperature: 0.900000 Total energy: -1036.438471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.438471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.438471 (E_RNA) where: Base-Base interactions energy: -695.820 where: short stacking energy: -313.074 Base-Backbone interact. energy: -2.353 local terms energy: -338.266032 where: bonds (distance) C4'-P energy: -72.121 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -64.025 flat angles P-C4'-P energy: -55.339 tors. eta vs tors. theta energy: -79.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -998.490545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.490545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.490545 (E_RNA) where: Base-Base interactions energy: -630.853 where: short stacking energy: -299.368 Base-Backbone interact. energy: -2.122 local terms energy: -365.515686 where: bonds (distance) C4'-P energy: -79.798 bonds (distance) P-C4' energy: -74.804 flat angles C4'-P-C4' energy: -72.525 flat angles P-C4'-P energy: -49.479 tors. eta vs tors. theta energy: -88.910 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: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -922.497553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.497553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.497553 (E_RNA) where: Base-Base interactions energy: -598.251 where: short stacking energy: -240.781 Base-Backbone interact. energy: -1.033 local terms energy: -323.213926 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -79.171 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -68.173 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: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -874.465254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.465254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.465254 (E_RNA) where: Base-Base interactions energy: -555.023 where: short stacking energy: -266.543 Base-Backbone interact. energy: -1.005 local terms energy: -318.437754 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -61.686 flat angles C4'-P-C4' energy: -75.855 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: -73.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -805.713576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.713576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.713576 (E_RNA) where: Base-Base interactions energy: -508.473 where: short stacking energy: -216.682 Base-Backbone interact. energy: 3.092 local terms energy: -300.332617 where: bonds (distance) C4'-P energy: -57.191 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -81.840 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -58.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -576.076879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.076879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.076879 (E_RNA) where: Base-Base interactions energy: -312.636 where: short stacking energy: -181.078 Base-Backbone interact. energy: 0.942 local terms energy: -264.383252 where: bonds (distance) C4'-P energy: -57.392 bonds (distance) P-C4' energy: -63.878 flat angles C4'-P-C4' energy: -61.924 flat angles P-C4'-P energy: -49.814 tors. eta vs tors. theta energy: -31.377 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: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -623.291248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.291248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.291248 (E_RNA) where: Base-Base interactions energy: -372.473 where: short stacking energy: -175.323 Base-Backbone interact. energy: -0.232 local terms energy: -250.585524 where: bonds (distance) C4'-P energy: -49.180 bonds (distance) P-C4' energy: -68.928 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -38.893 tors. eta vs tors. theta energy: -28.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -396.729934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.729934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.729934 (E_RNA) where: Base-Base interactions energy: -175.640 where: short stacking energy: -105.070 Base-Backbone interact. energy: 1.900 local terms energy: -222.989704 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -54.225 flat angles P-C4'-P energy: -41.713 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -325.953071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.953071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.953071 (E_RNA) where: Base-Base interactions energy: -122.238 where: short stacking energy: -92.034 Base-Backbone interact. energy: -2.351 local terms energy: -201.363708 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -50.976 flat angles P-C4'-P energy: -41.067 tors. eta vs tors. theta energy: 21.260 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: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -311.823271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.823271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.823271 (E_RNA) where: Base-Base interactions energy: -119.226 where: short stacking energy: -88.262 Base-Backbone interact. energy: 0.641 local terms energy: -193.237973 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -38.995 flat angles P-C4'-P energy: -25.188 tors. eta vs tors. theta energy: -4.893 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: 17 Temperature: 0.900000 Total energy: -1056.907210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.907210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.907210 (E_RNA) where: Base-Base interactions energy: -697.393 where: short stacking energy: -295.288 Base-Backbone interact. energy: -1.048 local terms energy: -358.466250 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -79.443 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -83.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1014.815426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.815426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.815426 (E_RNA) where: Base-Base interactions energy: -657.237 where: short stacking energy: -305.729 Base-Backbone interact. energy: -0.103 local terms energy: -357.475676 where: bonds (distance) C4'-P energy: -75.030 bonds (distance) P-C4' energy: -58.141 flat angles C4'-P-C4' energy: -83.032 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -89.071 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -903.211808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.211808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.211808 (E_RNA) where: Base-Base interactions energy: -559.695 where: short stacking energy: -260.539 Base-Backbone interact. energy: -3.276 local terms energy: -340.241713 where: bonds (distance) C4'-P energy: -81.501 bonds (distance) P-C4' energy: -71.802 flat angles C4'-P-C4' energy: -80.825 flat angles P-C4'-P energy: -43.567 tors. eta vs tors. theta energy: -62.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -854.796693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.796693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.796693 (E_RNA) where: Base-Base interactions energy: -546.877 where: short stacking energy: -256.330 Base-Backbone interact. energy: -0.869 local terms energy: -307.050062 where: bonds (distance) C4'-P energy: -63.950 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -36.976 tors. eta vs tors. theta energy: -71.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -813.676414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.676414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.676414 (E_RNA) where: Base-Base interactions energy: -503.250 where: short stacking energy: -214.178 Base-Backbone interact. energy: -0.406 local terms energy: -310.019950 where: bonds (distance) C4'-P energy: -74.635 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -63.523 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: -54.155 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: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -663.857934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.857934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.857934 (E_RNA) where: Base-Base interactions energy: -410.561 where: short stacking energy: -183.312 Base-Backbone interact. energy: 1.199 local terms energy: -254.495134 where: bonds (distance) C4'-P energy: -54.410 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -63.601 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -39.901 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -522.277414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.277414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.277414 (E_RNA) where: Base-Base interactions energy: -279.835 where: short stacking energy: -150.845 Base-Backbone interact. energy: 0.304 local terms energy: -242.746562 where: bonds (distance) C4'-P energy: -60.687 bonds (distance) P-C4' energy: -68.968 flat angles C4'-P-C4' energy: -52.974 flat angles P-C4'-P energy: -28.433 tors. eta vs tors. theta energy: -31.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -391.612162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.612162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.612162 (E_RNA) where: Base-Base interactions energy: -164.613 where: short stacking energy: -105.500 Base-Backbone interact. energy: 2.464 local terms energy: -229.462929 where: bonds (distance) C4'-P energy: -64.216 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -59.846 flat angles P-C4'-P energy: -43.896 tors. eta vs tors. theta energy: -0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -329.223878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.223878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.223878 (E_RNA) where: Base-Base interactions energy: -112.916 where: short stacking energy: -101.523 Base-Backbone interact. energy: -0.604 local terms energy: -215.704112 where: bonds (distance) C4'-P energy: -47.940 bonds (distance) P-C4' energy: -67.244 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -34.957 tors. eta vs tors. theta energy: -3.199 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: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -307.604246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.604246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.604246 (E_RNA) where: Base-Base interactions energy: -99.561 where: short stacking energy: -92.199 Base-Backbone interact. energy: 1.994 local terms energy: -210.036648 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -67.944 flat angles C4'-P-C4' energy: -59.169 flat angles P-C4'-P energy: -28.548 tors. eta vs tors. theta energy: 4.009 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: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1055.899190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.899190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.899190 (E_RNA) where: Base-Base interactions energy: -709.896 where: short stacking energy: -309.066 Base-Backbone interact. energy: -2.570 local terms energy: -343.433125 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -67.392 flat angles C4'-P-C4' energy: -77.795 flat angles P-C4'-P energy: -37.707 tors. eta vs tors. theta energy: -83.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -984.722514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.722514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.722514 (E_RNA) where: Base-Base interactions energy: -622.013 where: short stacking energy: -307.680 Base-Backbone interact. energy: -0.468 local terms energy: -362.241722 where: bonds (distance) C4'-P energy: -81.735 bonds (distance) P-C4' energy: -65.691 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -42.962 tors. eta vs tors. theta energy: -90.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -923.718076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.718076 (E_RNA) where: Base-Base interactions energy: -589.756 where: short stacking energy: -256.690 Base-Backbone interact. energy: 0.246 local terms energy: -334.207749 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -81.340 flat angles P-C4'-P energy: -37.280 tors. eta vs tors. theta energy: -84.478 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -882.093002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.093002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.093002 (E_RNA) where: Base-Base interactions energy: -564.588 where: short stacking energy: -273.480 Base-Backbone interact. energy: -0.809 local terms energy: -316.696170 where: bonds (distance) C4'-P energy: -55.505 bonds (distance) P-C4' energy: -60.242 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -55.959 tors. eta vs tors. theta energy: -70.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -780.646894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.646894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.646894 (E_RNA) where: Base-Base interactions energy: -475.378 where: short stacking energy: -223.925 Base-Backbone interact. energy: 0.333 local terms energy: -305.601967 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -73.633 flat angles C4'-P-C4' energy: -69.740 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -51.685 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: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -657.784122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.784122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.784122 (E_RNA) where: Base-Base interactions energy: -382.066 where: short stacking energy: -190.101 Base-Backbone interact. energy: -1.306 local terms energy: -274.412083 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -69.331 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -38.509 tors. eta vs tors. theta energy: -36.633 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: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -606.351069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.351069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.351069 (E_RNA) where: Base-Base interactions energy: -337.340 where: short stacking energy: -175.794 Base-Backbone interact. energy: -0.477 local terms energy: -268.533870 where: bonds (distance) C4'-P energy: -74.053 bonds (distance) P-C4' energy: -65.850 flat angles C4'-P-C4' energy: -58.596 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -33.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -403.330739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.330739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.330739 (E_RNA) where: Base-Base interactions energy: -170.708 where: short stacking energy: -102.668 Base-Backbone interact. energy: -3.074 local terms energy: -229.548813 where: bonds (distance) C4'-P energy: -72.133 bonds (distance) P-C4' energy: -66.231 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: 1.907 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: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -317.363649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.363649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.363649 (E_RNA) where: Base-Base interactions energy: -103.077 where: short stacking energy: -85.765 Base-Backbone interact. energy: -0.762 local terms energy: -213.524633 where: bonds (distance) C4'-P energy: -73.790 bonds (distance) P-C4' energy: -66.669 flat angles C4'-P-C4' energy: -49.257 flat angles P-C4'-P energy: -22.968 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -300.395912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.395912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.395912 (E_RNA) where: Base-Base interactions energy: -103.188 where: short stacking energy: -70.748 Base-Backbone interact. energy: 0.355 local terms energy: -197.562351 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -43.448 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: 6.025 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: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1050.003434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.003434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.003434 (E_RNA) where: Base-Base interactions energy: -688.104 where: short stacking energy: -293.092 Base-Backbone interact. energy: -1.685 local terms energy: -360.214206 where: bonds (distance) C4'-P energy: -65.003 bonds (distance) P-C4' energy: -79.369 flat angles C4'-P-C4' energy: -78.255 flat angles P-C4'-P energy: -54.694 tors. eta vs tors. theta energy: -82.894 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: 19 Temperature: 0.950000 Total energy: -970.312342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.312342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.312342 (E_RNA) where: Base-Base interactions energy: -607.515 where: short stacking energy: -289.098 Base-Backbone interact. energy: -1.133 local terms energy: -361.664039 where: bonds (distance) C4'-P energy: -78.219 bonds (distance) P-C4' energy: -74.200 flat angles C4'-P-C4' energy: -79.701 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: -81.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -934.261009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.261009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.261009 (E_RNA) where: Base-Base interactions energy: -597.978 where: short stacking energy: -296.481 Base-Backbone interact. energy: -0.407 local terms energy: -335.875636 where: bonds (distance) C4'-P energy: -79.353 bonds (distance) P-C4' energy: -62.675 flat angles C4'-P-C4' energy: -66.989 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -76.850 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: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -880.878820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.878820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.878820 (E_RNA) where: Base-Base interactions energy: -570.636 where: short stacking energy: -259.941 Base-Backbone interact. energy: -0.228 local terms energy: -310.015008 where: bonds (distance) C4'-P energy: -66.851 bonds (distance) P-C4' energy: -64.479 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -60.290 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: 9 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -741.513560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.513560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.513560 (E_RNA) where: Base-Base interactions energy: -452.643 where: short stacking energy: -205.468 Base-Backbone interact. energy: -0.859 local terms energy: -288.010887 where: bonds (distance) C4'-P energy: -69.185 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -73.314 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -39.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -690.880813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.880813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.880813 (E_RNA) where: Base-Base interactions energy: -412.584 where: short stacking energy: -203.429 Base-Backbone interact. energy: 2.110 local terms energy: -280.407430 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -60.569 flat angles P-C4'-P energy: -35.522 tors. eta vs tors. theta energy: -34.559 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: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -575.170363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.170363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.170363 (E_RNA) where: Base-Base interactions energy: -325.180 where: short stacking energy: -145.712 Base-Backbone interact. energy: 0.352 local terms energy: -250.342206 where: bonds (distance) C4'-P energy: -65.477 bonds (distance) P-C4' energy: -74.663 flat angles C4'-P-C4' energy: -55.964 flat angles P-C4'-P energy: -30.730 tors. eta vs tors. theta energy: -23.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -369.285619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.285619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.285619 (E_RNA) where: Base-Base interactions energy: -165.223 where: short stacking energy: -112.261 Base-Backbone interact. energy: 4.247 local terms energy: -208.309866 where: bonds (distance) C4'-P energy: -64.705 bonds (distance) P-C4' energy: -55.926 flat angles C4'-P-C4' energy: -57.968 flat angles P-C4'-P energy: -29.582 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -388.859728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.859728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.859728 (E_RNA) where: Base-Base interactions energy: -190.000 where: short stacking energy: -114.256 Base-Backbone interact. energy: 4.814 local terms energy: -203.673141 where: bonds (distance) C4'-P energy: -46.648 bonds (distance) P-C4' energy: -66.239 flat angles C4'-P-C4' energy: -57.011 flat angles P-C4'-P energy: -30.234 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -416.049193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.049193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.049193 (E_RNA) where: Base-Base interactions energy: -212.359 where: short stacking energy: -121.543 Base-Backbone interact. energy: -4.358 local terms energy: -199.331374 where: bonds (distance) C4'-P energy: -48.051 bonds (distance) P-C4' energy: -66.892 flat angles C4'-P-C4' energy: -41.563 flat angles P-C4'-P energy: -24.746 tors. eta vs tors. theta energy: -18.080 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: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1074.860523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.860523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.860523 (E_RNA) where: Base-Base interactions energy: -717.690 where: short stacking energy: -326.960 Base-Backbone interact. energy: -0.936 local terms energy: -356.234535 where: bonds (distance) C4'-P energy: -64.978 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -75.220 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -92.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -967.041647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.041647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.041647 (E_RNA) where: Base-Base interactions energy: -621.217 where: short stacking energy: -275.299 Base-Backbone interact. energy: 0.850 local terms energy: -346.675278 where: bonds (distance) C4'-P energy: -67.779 bonds (distance) P-C4' energy: -76.199 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -54.645 tors. eta vs tors. theta energy: -78.639 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: 20 Temperature: 1.000000 Total energy: -930.360197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.360197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.360197 (E_RNA) where: Base-Base interactions energy: -592.911 where: short stacking energy: -272.519 Base-Backbone interact. energy: 1.867 local terms energy: -339.316067 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -72.304 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -74.129 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: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -909.197124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.197124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.197124 (E_RNA) where: Base-Base interactions energy: -583.169 where: short stacking energy: -261.738 Base-Backbone interact. energy: -1.094 local terms energy: -324.933490 where: bonds (distance) C4'-P energy: -56.997 bonds (distance) P-C4' energy: -73.020 flat angles C4'-P-C4' energy: -66.571 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -75.053 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: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -726.452705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.452705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.452705 (E_RNA) where: Base-Base interactions energy: -442.818 where: short stacking energy: -219.854 Base-Backbone interact. energy: -1.860 local terms energy: -281.775579 where: bonds (distance) C4'-P energy: -62.559 bonds (distance) P-C4' energy: -69.111 flat angles C4'-P-C4' energy: -72.556 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -40.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -698.561591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.561591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.561591 (E_RNA) where: Base-Base interactions energy: -409.551 where: short stacking energy: -219.372 Base-Backbone interact. energy: 0.406 local terms energy: -289.416248 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -74.958 flat angles P-C4'-P energy: -39.277 tors. eta vs tors. theta energy: -47.016 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: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -558.994677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.994677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.994677 (E_RNA) where: Base-Base interactions energy: -300.595 where: short stacking energy: -157.435 Base-Backbone interact. energy: 0.893 local terms energy: -259.292338 where: bonds (distance) C4'-P energy: -56.122 bonds (distance) P-C4' energy: -73.586 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -41.124 tors. eta vs tors. theta energy: -28.479 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: 20 Temperature: 1.250000 Total energy: -400.167330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.167330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.167330 (E_RNA) where: Base-Base interactions energy: -186.527 where: short stacking energy: -94.612 Base-Backbone interact. energy: 0.030 local terms energy: -213.670136 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -57.259 flat angles C4'-P-C4' energy: -57.340 flat angles P-C4'-P energy: -39.638 tors. eta vs tors. theta energy: 3.332 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -395.643887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.643887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.643887 (E_RNA) where: Base-Base interactions energy: -190.796 where: short stacking energy: -107.682 Base-Backbone interact. energy: 3.244 local terms energy: -208.091577 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -55.850 flat angles P-C4'-P energy: -32.753 tors. eta vs tors. theta energy: 5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -311.289743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.289743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.289743 (E_RNA) where: Base-Base interactions energy: -124.348 where: short stacking energy: -80.138 Base-Backbone interact. energy: -1.429 local terms energy: -185.513367 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -66.419 flat angles C4'-P-C4' energy: -50.919 flat angles P-C4'-P energy: -33.840 tors. eta vs tors. theta energy: 16.629 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: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1074.727091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.727091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.727091 (E_RNA) where: Base-Base interactions energy: -722.349 where: short stacking energy: -327.053 Base-Backbone interact. energy: -0.815 local terms energy: -351.562929 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -73.858 flat angles C4'-P-C4' energy: -69.661 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -89.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -995.057249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.057249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.057249 (E_RNA) where: Base-Base interactions energy: -631.271 where: short stacking energy: -290.443 Base-Backbone interact. energy: -1.171 local terms energy: -362.614837 where: bonds (distance) C4'-P energy: -68.338 bonds (distance) P-C4' energy: -76.670 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: -80.815 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: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -919.747617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.747617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.747617 (E_RNA) where: Base-Base interactions energy: -582.091 where: short stacking energy: -282.771 Base-Backbone interact. energy: -1.837 local terms energy: -335.820052 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -68.600 flat angles C4'-P-C4' energy: -75.820 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -81.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -901.513235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.513235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.513235 (E_RNA) where: Base-Base interactions energy: -564.987 where: short stacking energy: -275.289 Base-Backbone interact. energy: -0.402 local terms energy: -336.123915 where: bonds (distance) C4'-P energy: -66.352 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -73.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -746.788143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.788143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.788143 (E_RNA) where: Base-Base interactions energy: -465.037 where: short stacking energy: -239.908 Base-Backbone interact. energy: -0.854 local terms energy: -280.897355 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -58.352 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -36.793 tors. eta vs tors. theta energy: -54.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -655.312460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.312460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.312460 (E_RNA) where: Base-Base interactions energy: -371.024 where: short stacking energy: -197.397 Base-Backbone interact. energy: 0.306 local terms energy: -284.593600 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -50.751 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: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -550.435849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.435849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.435849 (E_RNA) where: Base-Base interactions energy: -285.836 where: short stacking energy: -169.469 Base-Backbone interact. energy: -1.266 local terms energy: -263.334644 where: bonds (distance) C4'-P energy: -60.404 bonds (distance) P-C4' energy: -60.037 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -34.563 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: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -407.590744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.590744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.590744 (E_RNA) where: Base-Base interactions energy: -182.635 where: short stacking energy: -99.252 Base-Backbone interact. energy: -2.496 local terms energy: -222.459195 where: bonds (distance) C4'-P energy: -56.851 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -30.472 tors. eta vs tors. theta energy: -7.967 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: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -382.036119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.036119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.036119 (E_RNA) where: Base-Base interactions energy: -204.904 where: short stacking energy: -123.893 Base-Backbone interact. energy: -1.313 local terms energy: -175.819911 where: bonds (distance) C4'-P energy: -46.002 bonds (distance) P-C4' energy: -61.965 flat angles C4'-P-C4' energy: -46.669 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -9.653 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: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -328.018310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.018310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.018310 (E_RNA) where: Base-Base interactions energy: -149.859 where: short stacking energy: -77.794 Base-Backbone interact. energy: 0.142 local terms energy: -178.301207 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -54.649 flat angles C4'-P-C4' energy: -45.106 flat angles P-C4'-P energy: -26.913 tors. eta vs tors. theta energy: 9.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1094.213597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.213597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.213597 (E_RNA) where: Base-Base interactions energy: -739.993 where: short stacking energy: -323.056 Base-Backbone interact. energy: -0.087 local terms energy: -354.133988 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -78.192 flat angles P-C4'-P energy: -48.031 tors. eta vs tors. theta energy: -89.826 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1008.251169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.251169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.251169 (E_RNA) where: Base-Base interactions energy: -659.515 where: short stacking energy: -288.370 Base-Backbone interact. energy: -1.834 local terms energy: -346.903061 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -60.921 flat angles C4'-P-C4' energy: -84.826 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -84.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -939.431148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.431148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.431148 (E_RNA) where: Base-Base interactions energy: -594.830 where: short stacking energy: -301.666 Base-Backbone interact. energy: -2.253 local terms energy: -342.348078 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -79.517 flat angles C4'-P-C4' energy: -67.917 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -81.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -838.677439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.677439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.677439 (E_RNA) where: Base-Base interactions energy: -526.595 where: short stacking energy: -249.535 Base-Backbone interact. energy: -1.712 local terms energy: -310.370375 where: bonds (distance) C4'-P energy: -54.865 bonds (distance) P-C4' energy: -74.039 flat angles C4'-P-C4' energy: -82.311 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: -58.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -737.759140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.759140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.759140 (E_RNA) where: Base-Base interactions energy: -443.077 where: short stacking energy: -197.265 Base-Backbone interact. energy: 0.031 local terms energy: -294.713182 where: bonds (distance) C4'-P energy: -74.850 bonds (distance) P-C4' energy: -65.552 flat angles C4'-P-C4' energy: -67.388 flat angles P-C4'-P energy: -38.459 tors. eta vs tors. theta energy: -48.464 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: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -659.964458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.964458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.964458 (E_RNA) where: Base-Base interactions energy: -386.112 where: short stacking energy: -197.689 Base-Backbone interact. energy: -1.534 local terms energy: -272.318751 where: bonds (distance) C4'-P energy: -63.678 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -58.628 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -41.831 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -549.518021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.518021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.518021 (E_RNA) where: Base-Base interactions energy: -302.555 where: short stacking energy: -176.326 Base-Backbone interact. energy: -2.043 local terms energy: -244.920175 where: bonds (distance) C4'-P energy: -68.278 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -56.983 flat angles P-C4'-P energy: -34.808 tors. eta vs tors. theta energy: -23.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -446.349189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.349189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.349189 (E_RNA) where: Base-Base interactions energy: -229.017 where: short stacking energy: -146.939 Base-Backbone interact. energy: -1.072 local terms energy: -216.260455 where: bonds (distance) C4'-P energy: -51.570 bonds (distance) P-C4' energy: -53.544 flat angles C4'-P-C4' energy: -70.687 flat angles P-C4'-P energy: -19.628 tors. eta vs tors. theta energy: -20.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -384.678837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.678837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.678837 (E_RNA) where: Base-Base interactions energy: -185.209 where: short stacking energy: -104.407 Base-Backbone interact. energy: -1.405 local terms energy: -198.065251 where: bonds (distance) C4'-P energy: -48.916 bonds (distance) P-C4' energy: -54.848 flat angles C4'-P-C4' energy: -59.829 flat angles P-C4'-P energy: -43.247 tors. eta vs tors. theta energy: 8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -327.443103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.443103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.443103 (E_RNA) where: Base-Base interactions energy: -125.785 where: short stacking energy: -93.699 Base-Backbone interact. energy: 0.128 local terms energy: -201.786797 where: bonds (distance) C4'-P energy: -54.355 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -36.245 flat angles P-C4'-P energy: -32.884 tors. eta vs tors. theta energy: -9.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1088.942140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.942140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.942140 (E_RNA) where: Base-Base interactions energy: -730.171 where: short stacking energy: -330.006 Base-Backbone interact. energy: -0.765 local terms energy: -358.006156 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -69.939 flat angles C4'-P-C4' energy: -83.195 flat angles P-C4'-P energy: -49.902 tors. eta vs tors. theta energy: -90.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1017.266158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.266158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.266158 (E_RNA) where: Base-Base interactions energy: -658.839 where: short stacking energy: -294.482 Base-Backbone interact. energy: -0.790 local terms energy: -357.636533 where: bonds (distance) C4'-P energy: -79.170 bonds (distance) P-C4' energy: -74.617 flat angles C4'-P-C4' energy: -71.860 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -73.137 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -945.321327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.321327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.321327 (E_RNA) where: Base-Base interactions energy: -597.435 where: short stacking energy: -280.549 Base-Backbone interact. energy: -0.161 local terms energy: -347.726046 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -72.647 flat angles C4'-P-C4' energy: -78.257 flat angles P-C4'-P energy: -51.729 tors. eta vs tors. theta energy: -72.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -795.139580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.139580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.139580 (E_RNA) where: Base-Base interactions energy: -490.335 where: short stacking energy: -239.454 Base-Backbone interact. energy: -1.194 local terms energy: -303.610958 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -64.770 flat angles C4'-P-C4' energy: -64.446 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -54.365 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: 9 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -769.339199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.339199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.339199 (E_RNA) where: Base-Base interactions energy: -474.057 where: short stacking energy: -225.583 Base-Backbone interact. energy: -0.548 local terms energy: -294.734571 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -69.647 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -55.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -665.642762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.642762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.642762 (E_RNA) where: Base-Base interactions energy: -377.559 where: short stacking energy: -188.330 Base-Backbone interact. energy: -0.827 local terms energy: -287.256453 where: bonds (distance) C4'-P energy: -76.632 bonds (distance) P-C4' energy: -71.584 flat angles C4'-P-C4' energy: -56.556 flat angles P-C4'-P energy: -37.121 tors. eta vs tors. theta energy: -45.364 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: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -555.343798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.343798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.343798 (E_RNA) where: Base-Base interactions energy: -283.028 where: short stacking energy: -152.204 Base-Backbone interact. energy: 1.361 local terms energy: -273.676682 where: bonds (distance) C4'-P energy: -71.964 bonds (distance) P-C4' energy: -64.573 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -22.771 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: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -426.383238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.383238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.383238 (E_RNA) where: Base-Base interactions energy: -197.358 where: short stacking energy: -109.293 Base-Backbone interact. energy: -1.443 local terms energy: -227.581713 where: bonds (distance) C4'-P energy: -65.072 bonds (distance) P-C4' energy: -62.175 flat angles C4'-P-C4' energy: -51.964 flat angles P-C4'-P energy: -32.490 tors. eta vs tors. theta energy: -15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -394.154745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.154745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.154745 (E_RNA) where: Base-Base interactions energy: -178.323 where: short stacking energy: -121.298 Base-Backbone interact. energy: -1.951 local terms energy: -213.881004 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -49.583 flat angles C4'-P-C4' energy: -66.326 flat angles P-C4'-P energy: -24.785 tors. eta vs tors. theta energy: -11.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -359.507538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.507538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.507538 (E_RNA) where: Base-Base interactions energy: -164.844 where: short stacking energy: -102.236 Base-Backbone interact. energy: -2.741 local terms energy: -191.922835 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -50.507 flat angles C4'-P-C4' energy: -51.943 flat angles P-C4'-P energy: -27.195 tors. eta vs tors. theta energy: -2.230 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: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1095.391819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.391819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.391819 (E_RNA) where: Base-Base interactions energy: -740.091 where: short stacking energy: -312.314 Base-Backbone interact. energy: -1.837 local terms energy: -353.464370 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -72.054 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -96.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -989.636165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.636165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.636165 (E_RNA) where: Base-Base interactions energy: -639.243 where: short stacking energy: -284.719 Base-Backbone interact. energy: -2.411 local terms energy: -347.982582 where: bonds (distance) C4'-P energy: -68.349 bonds (distance) P-C4' energy: -72.521 flat angles C4'-P-C4' energy: -80.432 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -82.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -937.823981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.823981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.823981 (E_RNA) where: Base-Base interactions energy: -597.929 where: short stacking energy: -274.629 Base-Backbone interact. energy: -2.739 local terms energy: -337.156199 where: bonds (distance) C4'-P energy: -65.663 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -78.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -765.036181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.036181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.036181 (E_RNA) where: Base-Base interactions energy: -472.845 where: short stacking energy: -231.253 Base-Backbone interact. energy: 0.276 local terms energy: -292.467325 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: -55.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -756.896938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.896938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.896938 (E_RNA) where: Base-Base interactions energy: -472.001 where: short stacking energy: -225.941 Base-Backbone interact. energy: -0.948 local terms energy: -283.947557 where: bonds (distance) C4'-P energy: -68.543 bonds (distance) P-C4' energy: -63.388 flat angles C4'-P-C4' energy: -61.873 flat angles P-C4'-P energy: -40.401 tors. eta vs tors. theta energy: -49.742 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: 24 Temperature: 1.150000 Total energy: -662.080654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.080654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.080654 (E_RNA) where: Base-Base interactions energy: -401.814 where: short stacking energy: -187.397 Base-Backbone interact. energy: -1.925 local terms energy: -258.341062 where: bonds (distance) C4'-P energy: -56.252 bonds (distance) P-C4' energy: -66.654 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -26.707 tors. eta vs tors. theta energy: -43.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -573.742896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.742896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.742896 (E_RNA) where: Base-Base interactions energy: -310.658 where: short stacking energy: -166.502 Base-Backbone interact. energy: -0.047 local terms energy: -263.037427 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -31.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -450.135626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.135626 (E_RNA) where: Base-Base interactions energy: -228.263 where: short stacking energy: -160.904 Base-Backbone interact. energy: 0.401 local terms energy: -222.273804 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -63.048 flat angles C4'-P-C4' energy: -46.641 flat angles P-C4'-P energy: -39.249 tors. eta vs tors. theta energy: -21.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -405.827799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.827799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.827799 (E_RNA) where: Base-Base interactions energy: -182.785 where: short stacking energy: -96.643 Base-Backbone interact. energy: 0.639 local terms energy: -223.682295 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -288.652149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.652149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.652149 (E_RNA) where: Base-Base interactions energy: -83.129 where: short stacking energy: -80.831 Base-Backbone interact. energy: 2.993 local terms energy: -208.516343 where: bonds (distance) C4'-P energy: -62.727 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -41.709 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: 0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1108.182844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.182844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.182844 (E_RNA) where: Base-Base interactions energy: -737.952 where: short stacking energy: -332.102 Base-Backbone interact. energy: -1.144 local terms energy: -369.087034 where: bonds (distance) C4'-P energy: -71.736 bonds (distance) P-C4' energy: -76.945 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -97.909 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: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -977.135110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.135110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.135110 (E_RNA) where: Base-Base interactions energy: -622.617 where: short stacking energy: -285.148 Base-Backbone interact. energy: -0.486 local terms energy: -354.031902 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -73.902 flat angles C4'-P-C4' energy: -79.964 flat angles P-C4'-P energy: -54.666 tors. eta vs tors. theta energy: -79.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -959.169090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.169090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.169090 (E_RNA) where: Base-Base interactions energy: -630.258 where: short stacking energy: -279.988 Base-Backbone interact. energy: -2.252 local terms energy: -326.658441 where: bonds (distance) C4'-P energy: -63.959 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -66.602 flat angles P-C4'-P energy: -44.662 tors. eta vs tors. theta energy: -76.238 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: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -800.022556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.022556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.022556 (E_RNA) where: Base-Base interactions energy: -479.108 where: short stacking energy: -231.625 Base-Backbone interact. energy: -0.696 local terms energy: -320.217926 where: bonds (distance) C4'-P energy: -69.440 bonds (distance) P-C4' energy: -78.142 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -41.545 tors. eta vs tors. theta energy: -56.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -830.616450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.616450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.616450 (E_RNA) where: Base-Base interactions energy: -507.438 where: short stacking energy: -238.605 Base-Backbone interact. energy: 1.777 local terms energy: -324.954744 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -75.498 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -63.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -654.381738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.381738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.381738 (E_RNA) where: Base-Base interactions energy: -392.473 where: short stacking energy: -184.985 Base-Backbone interact. energy: -0.606 local terms energy: -261.303206 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -56.974 flat angles C4'-P-C4' energy: -66.342 flat angles P-C4'-P energy: -36.496 tors. eta vs tors. theta energy: -37.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -544.745979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.745979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.745979 (E_RNA) where: Base-Base interactions energy: -301.426 where: short stacking energy: -174.625 Base-Backbone interact. energy: -1.749 local terms energy: -241.570488 where: bonds (distance) C4'-P energy: -41.792 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -63.708 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -28.052 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: 25 Temperature: 1.250000 Total energy: -405.438303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.438303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.438303 (E_RNA) where: Base-Base interactions energy: -198.318 where: short stacking energy: -108.520 Base-Backbone interact. energy: -2.466 local terms energy: -204.654205 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -52.639 flat angles P-C4'-P energy: -35.646 tors. eta vs tors. theta energy: 5.893 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: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -315.809669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.809669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.809669 (E_RNA) where: Base-Base interactions energy: -114.963 where: short stacking energy: -87.960 Base-Backbone interact. energy: 0.712 local terms energy: -201.559408 where: bonds (distance) C4'-P energy: -50.329 bonds (distance) P-C4' energy: -67.050 flat angles C4'-P-C4' energy: -59.283 flat angles P-C4'-P energy: -35.131 tors. eta vs tors. theta energy: 10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -285.673919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.673919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.673919 (E_RNA) where: Base-Base interactions energy: -75.289 where: short stacking energy: -73.682 Base-Backbone interact. energy: -0.402 local terms energy: -209.982810 where: bonds (distance) C4'-P energy: -63.336 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -54.528 flat angles P-C4'-P energy: -41.408 tors. eta vs tors. theta energy: 13.818 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1129.671153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.671153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.671153 (E_RNA) where: Base-Base interactions energy: -758.343 where: short stacking energy: -342.264 Base-Backbone interact. energy: -0.615 local terms energy: -370.712571 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -72.709 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -96.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -985.552299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.552299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.552299 (E_RNA) where: Base-Base interactions energy: -638.633 where: short stacking energy: -304.129 Base-Backbone interact. energy: -0.931 local terms energy: -345.988605 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -47.917 tors. eta vs tors. theta energy: -86.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -997.107701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.107701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.107701 (E_RNA) where: Base-Base interactions energy: -653.045 where: short stacking energy: -303.305 Base-Backbone interact. energy: -2.062 local terms energy: -342.001036 where: bonds (distance) C4'-P energy: -64.247 bonds (distance) P-C4' energy: -73.290 flat angles C4'-P-C4' energy: -79.039 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -80.632 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: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -815.323297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.323297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.323297 (E_RNA) where: Base-Base interactions energy: -518.105 where: short stacking energy: -219.417 Base-Backbone interact. energy: -0.458 local terms energy: -296.760376 where: bonds (distance) C4'-P energy: -73.582 bonds (distance) P-C4' energy: -58.143 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: -56.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -846.681349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.681349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.681349 (E_RNA) where: Base-Base interactions energy: -530.984 where: short stacking energy: -254.265 Base-Backbone interact. energy: -0.817 local terms energy: -314.880642 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -70.354 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -62.179 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: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -640.502648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.502648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.502648 (E_RNA) where: Base-Base interactions energy: -375.813 where: short stacking energy: -192.112 Base-Backbone interact. energy: -0.507 local terms energy: -264.182084 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -71.377 flat angles C4'-P-C4' energy: -55.494 flat angles P-C4'-P energy: -36.351 tors. eta vs tors. theta energy: -39.770 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: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -522.612914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.612914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.612914 (E_RNA) where: Base-Base interactions energy: -294.671 where: short stacking energy: -150.396 Base-Backbone interact. energy: -2.098 local terms energy: -225.844312 where: bonds (distance) C4'-P energy: -58.097 bonds (distance) P-C4' energy: -60.819 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: -13.518 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: 26 Temperature: 1.250000 Total energy: -403.176007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.176007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.176007 (E_RNA) where: Base-Base interactions energy: -187.668 where: short stacking energy: -94.946 Base-Backbone interact. energy: -0.990 local terms energy: -214.517157 where: bonds (distance) C4'-P energy: -58.100 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -1.463 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: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -311.241176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.241176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.241176 (E_RNA) where: Base-Base interactions energy: -122.177 where: short stacking energy: -84.088 Base-Backbone interact. energy: -1.015 local terms energy: -188.049984 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -37.847 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: 2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -292.706368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.706368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.706368 (E_RNA) where: Base-Base interactions energy: -90.471 where: short stacking energy: -65.333 Base-Backbone interact. energy: 1.113 local terms energy: -203.347834 where: bonds (distance) C4'-P energy: -60.413 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -61.255 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: 17.492 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: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1112.657517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.657517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.657517 (E_RNA) where: Base-Base interactions energy: -751.216 where: short stacking energy: -343.652 Base-Backbone interact. energy: -0.568 local terms energy: -360.873315 where: bonds (distance) C4'-P energy: -73.130 bonds (distance) P-C4' energy: -69.317 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -41.107 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: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1026.034072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.034072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.034072 (E_RNA) where: Base-Base interactions energy: -658.178 where: short stacking energy: -304.793 Base-Backbone interact. energy: -0.807 local terms energy: -367.048507 where: bonds (distance) C4'-P energy: -79.156 bonds (distance) P-C4' energy: -78.293 flat angles C4'-P-C4' energy: -73.890 flat angles P-C4'-P energy: -51.106 tors. eta vs tors. theta energy: -84.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -958.090097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.090097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.090097 (E_RNA) where: Base-Base interactions energy: -625.806 where: short stacking energy: -289.529 Base-Backbone interact. energy: -3.755 local terms energy: -328.528379 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -64.568 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -54.314 tors. eta vs tors. theta energy: -76.180 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: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -863.255005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.255005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.255005 (E_RNA) where: Base-Base interactions energy: -536.334 where: short stacking energy: -250.871 Base-Backbone interact. energy: -0.901 local terms energy: -326.020103 where: bonds (distance) C4'-P energy: -65.641 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -74.121 flat angles P-C4'-P energy: -54.148 tors. eta vs tors. theta energy: -68.542 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: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -829.585353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.585353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.585353 (E_RNA) where: Base-Base interactions energy: -529.576 where: short stacking energy: -223.847 Base-Backbone interact. energy: -1.790 local terms energy: -298.219293 where: bonds (distance) C4'-P energy: -65.032 bonds (distance) P-C4' energy: -70.620 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -33.822 tors. eta vs tors. theta energy: -59.016 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: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -659.192537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.192537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.192537 (E_RNA) where: Base-Base interactions energy: -368.229 where: short stacking energy: -209.016 Base-Backbone interact. energy: 1.853 local terms energy: -292.816891 where: bonds (distance) C4'-P energy: -56.944 bonds (distance) P-C4' energy: -80.377 flat angles C4'-P-C4' energy: -60.768 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -47.460 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: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -508.296926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.296926 (E_RNA) where: Base-Base interactions energy: -259.075 where: short stacking energy: -132.111 Base-Backbone interact. energy: 1.861 local terms energy: -251.083372 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -77.770 flat angles C4'-P-C4' energy: -67.354 flat angles P-C4'-P energy: -29.015 tors. eta vs tors. theta energy: -11.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -422.211488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.211488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.211488 (E_RNA) where: Base-Base interactions energy: -205.695 where: short stacking energy: -133.028 Base-Backbone interact. energy: -0.659 local terms energy: -215.857559 where: bonds (distance) C4'-P energy: -67.541 bonds (distance) P-C4' energy: -52.298 flat angles C4'-P-C4' energy: -52.860 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: -9.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -310.378541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.378541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.378541 (E_RNA) where: Base-Base interactions energy: -94.890 where: short stacking energy: -86.820 Base-Backbone interact. energy: -2.690 local terms energy: -212.799201 where: bonds (distance) C4'-P energy: -69.230 bonds (distance) P-C4' energy: -66.049 flat angles C4'-P-C4' energy: -39.465 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -284.891848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.891848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.891848 (E_RNA) where: Base-Base interactions energy: -110.774 where: short stacking energy: -84.451 Base-Backbone interact. energy: -0.980 local terms energy: -173.137572 where: bonds (distance) C4'-P energy: -48.308 bonds (distance) P-C4' energy: -52.024 flat angles C4'-P-C4' energy: -48.244 flat angles P-C4'-P energy: -28.629 tors. eta vs tors. theta energy: 4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1106.859835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.859835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.859835 (E_RNA) where: Base-Base interactions energy: -751.667 where: short stacking energy: -318.233 Base-Backbone interact. energy: 0.336 local terms energy: -355.529130 where: bonds (distance) C4'-P energy: -60.768 bonds (distance) P-C4' energy: -76.268 flat angles C4'-P-C4' energy: -73.587 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: -88.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1066.286006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.286006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.286006 (E_RNA) where: Base-Base interactions energy: -707.235 where: short stacking energy: -338.410 Base-Backbone interact. energy: 0.208 local terms energy: -359.259605 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -70.552 flat angles C4'-P-C4' energy: -74.089 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: -82.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -936.064940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.064940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.064940 (E_RNA) where: Base-Base interactions energy: -598.865 where: short stacking energy: -274.624 Base-Backbone interact. energy: 0.976 local terms energy: -338.175810 where: bonds (distance) C4'-P energy: -65.401 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -74.317 flat angles P-C4'-P energy: -40.531 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: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -903.140293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.140293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.140293 (E_RNA) where: Base-Base interactions energy: -571.716 where: short stacking energy: -265.779 Base-Backbone interact. energy: -1.760 local terms energy: -329.664298 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -67.706 flat angles P-C4'-P energy: -55.496 tors. eta vs tors. theta energy: -71.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -765.175085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.175085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.175085 (E_RNA) where: Base-Base interactions energy: -477.571 where: short stacking energy: -212.190 Base-Backbone interact. energy: -0.976 local terms energy: -286.628326 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -70.399 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -42.403 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: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -653.141159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.141159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.141159 (E_RNA) where: Base-Base interactions energy: -357.286 where: short stacking energy: -173.853 Base-Backbone interact. energy: 2.295 local terms energy: -298.150620 where: bonds (distance) C4'-P energy: -74.206 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -72.247 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -43.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -535.561806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.561806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.561806 (E_RNA) where: Base-Base interactions energy: -284.238 where: short stacking energy: -155.700 Base-Backbone interact. energy: -0.495 local terms energy: -250.828848 where: bonds (distance) C4'-P energy: -66.069 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -55.223 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -16.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -441.049366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.049366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.049366 (E_RNA) where: Base-Base interactions energy: -237.938 where: short stacking energy: -122.119 Base-Backbone interact. energy: -1.030 local terms energy: -202.081444 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -52.285 flat angles C4'-P-C4' energy: -56.028 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: 0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -322.797382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.797382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.797382 (E_RNA) where: Base-Base interactions energy: -117.647 where: short stacking energy: -101.824 Base-Backbone interact. energy: -1.140 local terms energy: -204.010420 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -55.865 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -32.710 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -288.530701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.530701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.530701 (E_RNA) where: Base-Base interactions energy: -107.838 where: short stacking energy: -103.658 Base-Backbone interact. energy: 0.267 local terms energy: -180.959493 where: bonds (distance) C4'-P energy: -45.776 bonds (distance) P-C4' energy: -55.617 flat angles C4'-P-C4' energy: -42.734 flat angles P-C4'-P energy: -27.391 tors. eta vs tors. theta energy: -9.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1103.790110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.790110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.790110 (E_RNA) where: Base-Base interactions energy: -743.497 where: short stacking energy: -330.548 Base-Backbone interact. energy: -1.244 local terms energy: -359.049147 where: bonds (distance) C4'-P energy: -69.152 bonds (distance) P-C4' energy: -77.252 flat angles C4'-P-C4' energy: -81.232 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: -91.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1060.112505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.112505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.112505 (E_RNA) where: Base-Base interactions energy: -673.554 where: short stacking energy: -330.944 Base-Backbone interact. energy: -0.652 local terms energy: -385.906803 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -82.978 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -102.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -979.477720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.477720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.477720 (E_RNA) where: Base-Base interactions energy: -631.542 where: short stacking energy: -290.364 Base-Backbone interact. energy: -0.424 local terms energy: -347.511699 where: bonds (distance) C4'-P energy: -71.735 bonds (distance) P-C4' energy: -73.955 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -48.242 tors. eta vs tors. theta energy: -80.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -870.293718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.293718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.293718 (E_RNA) where: Base-Base interactions energy: -555.156 where: short stacking energy: -253.847 Base-Backbone interact. energy: 0.421 local terms energy: -315.559380 where: bonds (distance) C4'-P energy: -65.385 bonds (distance) P-C4' energy: -61.857 flat angles C4'-P-C4' energy: -68.374 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -71.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -706.032130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.032130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.032130 (E_RNA) where: Base-Base interactions energy: -457.418 where: short stacking energy: -216.762 Base-Backbone interact. energy: 1.356 local terms energy: -249.970267 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -29.536 tors. eta vs tors. theta energy: -40.592 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -661.266398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.266398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.266398 (E_RNA) where: Base-Base interactions energy: -394.400 where: short stacking energy: -189.461 Base-Backbone interact. energy: -2.297 local terms energy: -264.570002 where: bonds (distance) C4'-P energy: -49.969 bonds (distance) P-C4' energy: -63.565 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -36.275 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: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -585.745803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.745803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.745803 (E_RNA) where: Base-Base interactions energy: -325.362 where: short stacking energy: -156.860 Base-Backbone interact. energy: -1.210 local terms energy: -259.173709 where: bonds (distance) C4'-P energy: -68.230 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -51.170 flat angles P-C4'-P energy: -47.361 tors. eta vs tors. theta energy: -28.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -392.528151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.528151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.528151 (E_RNA) where: Base-Base interactions energy: -164.934 where: short stacking energy: -117.843 Base-Backbone interact. energy: -1.547 local terms energy: -226.047718 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -60.569 flat angles C4'-P-C4' energy: -48.579 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: -18.437 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: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -292.601443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.601443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.601443 (E_RNA) where: Base-Base interactions energy: -112.514 where: short stacking energy: -100.386 Base-Backbone interact. energy: -0.479 local terms energy: -179.608550 where: bonds (distance) C4'-P energy: -60.297 bonds (distance) P-C4' energy: -51.342 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -26.638 tors. eta vs tors. theta energy: 11.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -309.930186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.930186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.930186 (E_RNA) where: Base-Base interactions energy: -122.145 where: short stacking energy: -78.051 Base-Backbone interact. energy: 1.448 local terms energy: -189.232962 where: bonds (distance) C4'-P energy: -51.825 bonds (distance) P-C4' energy: -57.192 flat angles C4'-P-C4' energy: -53.053 flat angles P-C4'-P energy: -44.788 tors. eta vs tors. theta energy: 17.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1076.410356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.410356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.410356 (E_RNA) where: Base-Base interactions energy: -722.648 where: short stacking energy: -324.253 Base-Backbone interact. energy: -1.472 local terms energy: -352.289907 where: bonds (distance) C4'-P energy: -74.242 bonds (distance) P-C4' energy: -59.442 flat angles C4'-P-C4' energy: -74.663 flat angles P-C4'-P energy: -51.975 tors. eta vs tors. theta energy: -91.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1090.740300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.740300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.740300 (E_RNA) where: Base-Base interactions energy: -730.329 where: short stacking energy: -331.070 Base-Backbone interact. energy: 0.294 local terms energy: -360.704957 where: bonds (distance) C4'-P energy: -67.087 bonds (distance) P-C4' energy: -73.358 flat angles C4'-P-C4' energy: -79.791 flat angles P-C4'-P energy: -49.288 tors. eta vs tors. theta energy: -91.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -919.608140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.608140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.608140 (E_RNA) where: Base-Base interactions energy: -586.108 where: short stacking energy: -268.597 Base-Backbone interact. energy: 3.325 local terms energy: -336.824956 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -76.149 flat angles C4'-P-C4' energy: -72.512 flat angles P-C4'-P energy: -54.118 tors. eta vs tors. theta energy: -74.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -999.846103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.846103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.846103 (E_RNA) where: Base-Base interactions energy: -681.824 where: short stacking energy: -280.114 Base-Backbone interact. energy: 1.032 local terms energy: -319.054291 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -73.677 flat angles P-C4'-P energy: -48.718 tors. eta vs tors. theta energy: -69.814 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: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -725.081601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.081601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.081601 (E_RNA) where: Base-Base interactions energy: -428.490 where: short stacking energy: -206.184 Base-Backbone interact. energy: 5.314 local terms energy: -301.905664 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -42.554 tors. eta vs tors. theta energy: -55.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -676.086041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.086041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.086041 (E_RNA) where: Base-Base interactions energy: -394.568 where: short stacking energy: -211.962 Base-Backbone interact. energy: -1.164 local terms energy: -280.354167 where: bonds (distance) C4'-P energy: -55.230 bonds (distance) P-C4' energy: -67.998 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -46.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -605.340010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.340010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.340010 (E_RNA) where: Base-Base interactions energy: -331.178 where: short stacking energy: -154.336 Base-Backbone interact. energy: 0.802 local terms energy: -274.963353 where: bonds (distance) C4'-P energy: -68.822 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -30.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -442.724291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.724291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.724291 (E_RNA) where: Base-Base interactions energy: -209.291 where: short stacking energy: -126.345 Base-Backbone interact. energy: -3.051 local terms energy: -230.382725 where: bonds (distance) C4'-P energy: -72.080 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -50.862 flat angles P-C4'-P energy: -32.557 tors. eta vs tors. theta energy: -12.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -322.665021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.665021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.665021 (E_RNA) where: Base-Base interactions energy: -129.275 where: short stacking energy: -92.126 Base-Backbone interact. energy: -0.289 local terms energy: -193.100664 where: bonds (distance) C4'-P energy: -52.284 bonds (distance) P-C4' energy: -59.863 flat angles C4'-P-C4' energy: -54.209 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: 3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -299.600530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.600530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.600530 (E_RNA) where: Base-Base interactions energy: -110.478 where: short stacking energy: -91.906 Base-Backbone interact. energy: 0.611 local terms energy: -189.733797 where: bonds (distance) C4'-P energy: -61.014 bonds (distance) P-C4' energy: -51.176 flat angles C4'-P-C4' energy: -46.722 flat angles P-C4'-P energy: -21.645 tors. eta vs tors. theta energy: -9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1087.600550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.600550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.600550 (E_RNA) where: Base-Base interactions energy: -718.781 where: short stacking energy: -313.043 Base-Backbone interact. energy: -0.753 local terms energy: -368.066020 where: bonds (distance) C4'-P energy: -73.144 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -96.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1053.113719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.113719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.113719 (E_RNA) where: Base-Base interactions energy: -719.338 where: short stacking energy: -310.741 Base-Backbone interact. energy: -2.258 local terms energy: -331.518096 where: bonds (distance) C4'-P energy: -75.342 bonds (distance) P-C4' energy: -69.066 flat angles C4'-P-C4' energy: -67.184 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -83.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -980.748836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.748836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.748836 (E_RNA) where: Base-Base interactions energy: -643.095 where: short stacking energy: -316.055 Base-Backbone interact. energy: -1.675 local terms energy: -335.978678 where: bonds (distance) C4'-P energy: -55.083 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -77.066 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -973.586316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.586316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.586316 (E_RNA) where: Base-Base interactions energy: -629.136 where: short stacking energy: -281.994 Base-Backbone interact. energy: -1.947 local terms energy: -342.503721 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -74.620 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -81.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -732.482618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.482618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.482618 (E_RNA) where: Base-Base interactions energy: -441.050 where: short stacking energy: -182.784 Base-Backbone interact. energy: -1.871 local terms energy: -289.561783 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -75.603 flat angles C4'-P-C4' energy: -77.928 flat angles P-C4'-P energy: -39.560 tors. eta vs tors. theta energy: -34.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -685.905617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.905617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.905617 (E_RNA) where: Base-Base interactions energy: -416.947 where: short stacking energy: -187.722 Base-Backbone interact. energy: 0.835 local terms energy: -269.792978 where: bonds (distance) C4'-P energy: -63.939 bonds (distance) P-C4' energy: -71.910 flat angles C4'-P-C4' energy: -57.896 flat angles P-C4'-P energy: -30.867 tors. eta vs tors. theta energy: -45.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -691.162336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.162336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.162336 (E_RNA) where: Base-Base interactions energy: -431.365 where: short stacking energy: -202.061 Base-Backbone interact. energy: -0.218 local terms energy: -259.580245 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -47.603 flat angles P-C4'-P energy: -33.853 tors. eta vs tors. theta energy: -50.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -386.554921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.554921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.554921 (E_RNA) where: Base-Base interactions energy: -161.346 where: short stacking energy: -127.269 Base-Backbone interact. energy: -2.002 local terms energy: -223.206302 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -58.323 flat angles C4'-P-C4' energy: -59.713 flat angles P-C4'-P energy: -33.812 tors. eta vs tors. theta energy: -11.013 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: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -326.621960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.621960 (E_RNA) where: Base-Base interactions energy: -129.293 where: short stacking energy: -105.882 Base-Backbone interact. energy: 0.393 local terms energy: -197.721991 where: bonds (distance) C4'-P energy: -41.992 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -50.324 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: -8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -295.176386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.176386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.176386 (E_RNA) where: Base-Base interactions energy: -107.021 where: short stacking energy: -81.806 Base-Backbone interact. energy: -0.202 local terms energy: -187.952952 where: bonds (distance) C4'-P energy: -59.988 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -59.777 flat angles P-C4'-P energy: -18.771 tors. eta vs tors. theta energy: 7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1112.913054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.913054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.913054 (E_RNA) where: Base-Base interactions energy: -722.032 where: short stacking energy: -338.018 Base-Backbone interact. energy: -1.249 local terms energy: -389.631455 where: bonds (distance) C4'-P energy: -73.582 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -47.994 tors. eta vs tors. theta energy: -104.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1104.569741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.569741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.569741 (E_RNA) where: Base-Base interactions energy: -742.849 where: short stacking energy: -305.973 Base-Backbone interact. energy: 0.316 local terms energy: -362.036647 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -73.720 flat angles P-C4'-P energy: -55.707 tors. eta vs tors. theta energy: -95.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1029.151138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.151138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.151138 (E_RNA) where: Base-Base interactions energy: -694.980 where: short stacking energy: -322.049 Base-Backbone interact. energy: -1.567 local terms energy: -332.604563 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -54.955 flat angles C4'-P-C4' energy: -78.415 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -93.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -941.325599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.325599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.325599 (E_RNA) where: Base-Base interactions energy: -608.771 where: short stacking energy: -255.499 Base-Backbone interact. energy: -0.320 local terms energy: -332.234570 where: bonds (distance) C4'-P energy: -76.354 bonds (distance) P-C4' energy: -71.391 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -59.250 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: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -772.035917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.035917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.035917 (E_RNA) where: Base-Base interactions energy: -485.584 where: short stacking energy: -223.624 Base-Backbone interact. energy: 0.467 local terms energy: -286.919606 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -68.352 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -25.247 tors. eta vs tors. theta energy: -55.049 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -693.213096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.213096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.213096 (E_RNA) where: Base-Base interactions energy: -434.411 where: short stacking energy: -213.883 Base-Backbone interact. energy: 1.265 local terms energy: -260.067267 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -68.515 flat angles C4'-P-C4' energy: -42.073 flat angles P-C4'-P energy: -38.470 tors. eta vs tors. theta energy: -49.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -599.174002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.174002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.174002 (E_RNA) where: Base-Base interactions energy: -331.793 where: short stacking energy: -153.729 Base-Backbone interact. energy: -2.060 local terms energy: -265.321642 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -67.801 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -50.528 tors. eta vs tors. theta energy: -24.799 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: 32 Temperature: 1.250000 Total energy: -396.997341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.997341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.997341 (E_RNA) where: Base-Base interactions energy: -176.643 where: short stacking energy: -106.962 Base-Backbone interact. energy: 0.775 local terms energy: -221.129121 where: bonds (distance) C4'-P energy: -51.584 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -70.968 flat angles P-C4'-P energy: -32.232 tors. eta vs tors. theta energy: 3.689 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: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -301.543772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.543772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.543772 (E_RNA) where: Base-Base interactions energy: -112.828 where: short stacking energy: -95.507 Base-Backbone interact. energy: -2.093 local terms energy: -186.622999 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -55.432 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -21.930 tors. eta vs tors. theta energy: 11.791 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -289.224598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.224598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.224598 (E_RNA) where: Base-Base interactions energy: -103.223 where: short stacking energy: -85.744 Base-Backbone interact. energy: 2.532 local terms energy: -188.533657 where: bonds (distance) C4'-P energy: -51.729 bonds (distance) P-C4' energy: -62.064 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -32.089 tors. eta vs tors. theta energy: 9.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1112.173911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.173911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.173911 (E_RNA) where: Base-Base interactions energy: -727.310 where: short stacking energy: -323.026 Base-Backbone interact. energy: -0.923 local terms energy: -383.941013 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -74.120 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -107.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1147.122739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.122739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.122739 (E_RNA) where: Base-Base interactions energy: -799.258 where: short stacking energy: -331.718 Base-Backbone interact. energy: -1.378 local terms energy: -346.486738 where: bonds (distance) C4'-P energy: -68.272 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -69.883 flat angles P-C4'-P energy: -40.735 tors. eta vs tors. theta energy: -93.274 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: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1054.400133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.400133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.400133 (E_RNA) where: Base-Base interactions energy: -694.627 where: short stacking energy: -313.432 Base-Backbone interact. energy: -1.217 local terms energy: -358.555703 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -69.380 flat angles C4'-P-C4' energy: -80.082 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: -88.192 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: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -959.501797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.501797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.501797 (E_RNA) where: Base-Base interactions energy: -614.047 where: short stacking energy: -271.502 Base-Backbone interact. energy: -0.407 local terms energy: -345.048277 where: bonds (distance) C4'-P energy: -59.680 bonds (distance) P-C4' energy: -72.133 flat angles C4'-P-C4' energy: -77.038 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -83.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -823.681864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.681864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.681864 (E_RNA) where: Base-Base interactions energy: -528.582 where: short stacking energy: -229.550 Base-Backbone interact. energy: 0.220 local terms energy: -295.319506 where: bonds (distance) C4'-P energy: -57.477 bonds (distance) P-C4' energy: -59.911 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -42.209 tors. eta vs tors. theta energy: -62.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -673.453136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.453136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.453136 (E_RNA) where: Base-Base interactions energy: -378.736 where: short stacking energy: -191.058 Base-Backbone interact. energy: 1.261 local terms energy: -295.977776 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -67.940 flat angles C4'-P-C4' energy: -68.618 flat angles P-C4'-P energy: -35.084 tors. eta vs tors. theta energy: -51.753 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: 33 Temperature: 1.200000 Total energy: -577.454623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.454623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.454623 (E_RNA) where: Base-Base interactions energy: -317.430 where: short stacking energy: -157.851 Base-Backbone interact. energy: -0.212 local terms energy: -259.812644 where: bonds (distance) C4'-P energy: -72.931 bonds (distance) P-C4' energy: -72.283 flat angles C4'-P-C4' energy: -51.546 flat angles P-C4'-P energy: -39.645 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: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -398.756305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.756305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.756305 (E_RNA) where: Base-Base interactions energy: -200.417 where: short stacking energy: -144.672 Base-Backbone interact. energy: 0.673 local terms energy: -199.012153 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -47.688 flat angles C4'-P-C4' energy: -52.880 flat angles P-C4'-P energy: -31.272 tors. eta vs tors. theta energy: -11.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -297.806584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.806584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.806584 (E_RNA) where: Base-Base interactions energy: -100.439 where: short stacking energy: -76.911 Base-Backbone interact. energy: -2.049 local terms energy: -195.318765 where: bonds (distance) C4'-P energy: -64.828 bonds (distance) P-C4' energy: -66.537 flat angles C4'-P-C4' energy: -36.918 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: 8.761 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -331.784407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.784407 (E_RNA) where: Base-Base interactions energy: -151.153 where: short stacking energy: -104.808 Base-Backbone interact. energy: 6.649 local terms energy: -187.280498 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -67.705 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -34.008 tors. eta vs tors. theta energy: 13.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1160.639300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.639300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.639300 (E_RNA) where: Base-Base interactions energy: -817.879 where: short stacking energy: -324.924 Base-Backbone interact. energy: 0.392 local terms energy: -343.151854 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -60.010 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -93.070 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: 34 Temperature: 0.950000 Total energy: -1096.917060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.917060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.917060 (E_RNA) where: Base-Base interactions energy: -728.179 where: short stacking energy: -318.601 Base-Backbone interact. energy: 1.321 local terms energy: -370.059014 where: bonds (distance) C4'-P energy: -70.218 bonds (distance) P-C4' energy: -73.625 flat angles C4'-P-C4' energy: -75.646 flat angles P-C4'-P energy: -55.066 tors. eta vs tors. theta energy: -95.504 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: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1040.624565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.624565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.624565 (E_RNA) where: Base-Base interactions energy: -691.877 where: short stacking energy: -315.204 Base-Backbone interact. energy: 0.379 local terms energy: -349.126930 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -78.049 flat angles P-C4'-P energy: -40.271 tors. eta vs tors. theta energy: -92.963 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -995.220403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.220403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.220403 (E_RNA) where: Base-Base interactions energy: -650.494 where: short stacking energy: -293.721 Base-Backbone interact. energy: -1.991 local terms energy: -342.735495 where: bonds (distance) C4'-P energy: -69.729 bonds (distance) P-C4' energy: -70.770 flat angles C4'-P-C4' energy: -61.612 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -82.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -900.836881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.836881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.836881 (E_RNA) where: Base-Base interactions energy: -580.687 where: short stacking energy: -253.467 Base-Backbone interact. energy: -1.319 local terms energy: -318.830588 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -68.356 flat angles C4'-P-C4' energy: -77.530 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -64.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -658.497143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.497143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.497143 (E_RNA) where: Base-Base interactions energy: -402.048 where: short stacking energy: -180.011 Base-Backbone interact. energy: 0.511 local terms energy: -256.960854 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -63.883 flat angles P-C4'-P energy: -33.139 tors. eta vs tors. theta energy: -35.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -584.229575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.229575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.229575 (E_RNA) where: Base-Base interactions energy: -345.061 where: short stacking energy: -168.330 Base-Backbone interact. energy: -0.035 local terms energy: -239.134322 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -65.982 flat angles C4'-P-C4' energy: -53.712 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: -23.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -420.728055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.728055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.728055 (E_RNA) where: Base-Base interactions energy: -167.253 where: short stacking energy: -98.641 Base-Backbone interact. energy: -1.159 local terms energy: -252.315790 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -81.679 flat angles C4'-P-C4' energy: -62.681 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -11.243 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: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -349.750164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.750164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.750164 (E_RNA) where: Base-Base interactions energy: -126.025 where: short stacking energy: -89.075 Base-Backbone interact. energy: -0.777 local terms energy: -222.948147 where: bonds (distance) C4'-P energy: -62.119 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: 7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -293.077118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.077118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.077118 (E_RNA) where: Base-Base interactions energy: -124.269 where: short stacking energy: -95.196 Base-Backbone interact. energy: -2.161 local terms energy: -166.646386 where: bonds (distance) C4'-P energy: -63.856 bonds (distance) P-C4' energy: -43.367 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -21.055 tors. eta vs tors. theta energy: 9.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1191.354482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.354482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.354482 (E_RNA) where: Base-Base interactions energy: -812.021 where: short stacking energy: -335.964 Base-Backbone interact. energy: -2.009 local terms energy: -377.325270 where: bonds (distance) C4'-P energy: -64.038 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -83.656 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -98.679 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: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1074.934873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.934873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.934873 (E_RNA) where: Base-Base interactions energy: -698.009 where: short stacking energy: -327.647 Base-Backbone interact. energy: -1.534 local terms energy: -375.392309 where: bonds (distance) C4'-P energy: -77.451 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -76.117 flat angles P-C4'-P energy: -48.384 tors. eta vs tors. theta energy: -104.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1063.211416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.211416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.211416 (E_RNA) where: Base-Base interactions energy: -682.658 where: short stacking energy: -306.727 Base-Backbone interact. energy: -0.893 local terms energy: -379.660683 where: bonds (distance) C4'-P energy: -76.477 bonds (distance) P-C4' energy: -82.233 flat angles C4'-P-C4' energy: -75.126 flat angles P-C4'-P energy: -54.864 tors. eta vs tors. theta energy: -90.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -988.099333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.099333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.099333 (E_RNA) where: Base-Base interactions energy: -649.474 where: short stacking energy: -281.075 Base-Backbone interact. energy: -1.654 local terms energy: -336.971744 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -68.445 flat angles C4'-P-C4' energy: -72.355 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -71.500 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: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -878.748095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.748095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.748095 (E_RNA) where: Base-Base interactions energy: -572.329 where: short stacking energy: -246.154 Base-Backbone interact. energy: -1.031 local terms energy: -305.388041 where: bonds (distance) C4'-P energy: -59.991 bonds (distance) P-C4' energy: -67.960 flat angles C4'-P-C4' energy: -66.391 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -59.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -643.287732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.287732 (E_RNA) where: Base-Base interactions energy: -358.607 where: short stacking energy: -195.684 Base-Backbone interact. energy: -2.520 local terms energy: -282.160779 where: bonds (distance) C4'-P energy: -56.605 bonds (distance) P-C4' energy: -65.929 flat angles C4'-P-C4' energy: -70.969 flat angles P-C4'-P energy: -34.688 tors. eta vs tors. theta energy: -53.970 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: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -573.634182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.634182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.634182 (E_RNA) where: Base-Base interactions energy: -332.753 where: short stacking energy: -155.663 Base-Backbone interact. energy: 0.055 local terms energy: -240.935832 where: bonds (distance) C4'-P energy: -65.037 bonds (distance) P-C4' energy: -73.915 flat angles C4'-P-C4' energy: -58.628 flat angles P-C4'-P energy: -26.594 tors. eta vs tors. theta energy: -16.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -428.088438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.088438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.088438 (E_RNA) where: Base-Base interactions energy: -207.644 where: short stacking energy: -125.689 Base-Backbone interact. energy: 1.611 local terms energy: -222.055914 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -66.500 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -35.000 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -367.213479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.213479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.213479 (E_RNA) where: Base-Base interactions energy: -176.337 where: short stacking energy: -117.022 Base-Backbone interact. energy: 5.916 local terms energy: -196.791859 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -66.539 flat angles C4'-P-C4' energy: -50.186 flat angles P-C4'-P energy: -28.116 tors. eta vs tors. theta energy: 5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -284.000293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.000293 (E_RNA) where: Base-Base interactions energy: -87.801 where: short stacking energy: -83.422 Base-Backbone interact. energy: 2.036 local terms energy: -198.235324 where: bonds (distance) C4'-P energy: -63.614 bonds (distance) P-C4' energy: -58.770 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -27.211 tors. eta vs tors. theta energy: 7.643 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: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1180.179446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.179446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.179446 (E_RNA) where: Base-Base interactions energy: -813.394 where: short stacking energy: -344.408 Base-Backbone interact. energy: -2.379 local terms energy: -364.405857 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -75.974 flat angles C4'-P-C4' energy: -77.554 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -90.074 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: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1045.456665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.456665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.456665 (E_RNA) where: Base-Base interactions energy: -677.011 where: short stacking energy: -321.593 Base-Backbone interact. energy: 2.518 local terms energy: -370.963280 where: bonds (distance) C4'-P energy: -65.151 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -79.802 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -98.278 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: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1066.033091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.033091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.033091 (E_RNA) where: Base-Base interactions energy: -699.156 where: short stacking energy: -326.404 Base-Backbone interact. energy: -1.819 local terms energy: -365.057673 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -52.439 tors. eta vs tors. theta energy: -96.477 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: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1000.954218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.954218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.954218 (E_RNA) where: Base-Base interactions energy: -676.911 where: short stacking energy: -280.414 Base-Backbone interact. energy: -0.053 local terms energy: -323.990138 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -68.573 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -80.138 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: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -883.316364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.316364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.316364 (E_RNA) where: Base-Base interactions energy: -567.876 where: short stacking energy: -261.214 Base-Backbone interact. energy: 1.735 local terms energy: -317.174687 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -76.116 flat angles C4'-P-C4' energy: -74.177 flat angles P-C4'-P energy: -40.931 tors. eta vs tors. theta energy: -70.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -701.535166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.535166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.535166 (E_RNA) where: Base-Base interactions energy: -408.153 where: short stacking energy: -210.374 Base-Backbone interact. energy: -1.545 local terms energy: -291.837779 where: bonds (distance) C4'-P energy: -65.203 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -50.023 tors. eta vs tors. theta energy: -45.876 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -658.300527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.300527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.300527 (E_RNA) where: Base-Base interactions energy: -398.199 where: short stacking energy: -198.971 Base-Backbone interact. energy: -2.538 local terms energy: -257.563355 where: bonds (distance) C4'-P energy: -62.555 bonds (distance) P-C4' energy: -62.413 flat angles C4'-P-C4' energy: -67.365 flat angles P-C4'-P energy: -26.587 tors. eta vs tors. theta energy: -38.644 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: 36 Temperature: 1.250000 Total energy: -423.444222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.444222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.444222 (E_RNA) where: Base-Base interactions energy: -206.823 where: short stacking energy: -122.457 Base-Backbone interact. energy: 0.980 local terms energy: -217.601491 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -66.354 flat angles C4'-P-C4' energy: -54.784 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -424.398033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.398033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.398033 (E_RNA) where: Base-Base interactions energy: -224.611 where: short stacking energy: -119.371 Base-Backbone interact. energy: -1.513 local terms energy: -198.273497 where: bonds (distance) C4'-P energy: -56.976 bonds (distance) P-C4' energy: -69.082 flat angles C4'-P-C4' energy: -41.626 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: 0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -310.339528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.339528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.339528 (E_RNA) where: Base-Base interactions energy: -85.745 where: short stacking energy: -66.878 Base-Backbone interact. energy: -1.842 local terms energy: -222.752703 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -67.214 flat angles C4'-P-C4' energy: -56.515 flat angles P-C4'-P energy: -34.816 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1150.147039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.147039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.147039 (E_RNA) where: Base-Base interactions energy: -799.955 where: short stacking energy: -328.971 Base-Backbone interact. energy: 5.307 local terms energy: -355.498951 where: bonds (distance) C4'-P energy: -69.361 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -47.798 tors. eta vs tors. theta energy: -88.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1066.323641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.323641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.323641 (E_RNA) where: Base-Base interactions energy: -706.421 where: short stacking energy: -306.239 Base-Backbone interact. energy: -1.407 local terms energy: -358.495637 where: bonds (distance) C4'-P energy: -80.522 bonds (distance) P-C4' energy: -63.363 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -48.671 tors. eta vs tors. theta energy: -94.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1020.862656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.862656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.862656 (E_RNA) where: Base-Base interactions energy: -661.680 where: short stacking energy: -288.173 Base-Backbone interact. energy: -0.568 local terms energy: -358.614730 where: bonds (distance) C4'-P energy: -74.821 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -76.615 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -80.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1018.201136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.201136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.201136 (E_RNA) where: Base-Base interactions energy: -680.655 where: short stacking energy: -314.286 Base-Backbone interact. energy: -2.462 local terms energy: -335.084399 where: bonds (distance) C4'-P energy: -67.473 bonds (distance) P-C4' energy: -64.525 flat angles C4'-P-C4' energy: -66.427 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: -83.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -850.844469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.844469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.844469 (E_RNA) where: Base-Base interactions energy: -565.909 where: short stacking energy: -228.045 Base-Backbone interact. energy: -1.785 local terms energy: -283.151175 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -64.331 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -54.689 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: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -684.559950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.559950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.559950 (E_RNA) where: Base-Base interactions energy: -401.768 where: short stacking energy: -182.813 Base-Backbone interact. energy: -0.987 local terms energy: -281.804588 where: bonds (distance) C4'-P energy: -66.979 bonds (distance) P-C4' energy: -74.231 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -37.525 tors. eta vs tors. theta energy: -38.962 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: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -634.235461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.235461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.235461 (E_RNA) where: Base-Base interactions energy: -371.540 where: short stacking energy: -185.059 Base-Backbone interact. energy: -0.568 local terms energy: -262.126786 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -59.025 flat angles C4'-P-C4' energy: -60.848 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: -42.959 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: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -441.571676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.571676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.571676 (E_RNA) where: Base-Base interactions energy: -218.237 where: short stacking energy: -117.305 Base-Backbone interact. energy: -2.052 local terms energy: -221.282923 where: bonds (distance) C4'-P energy: -58.614 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -62.792 flat angles P-C4'-P energy: -31.784 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -386.182253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.182253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.182253 (E_RNA) where: Base-Base interactions energy: -181.010 where: short stacking energy: -120.915 Base-Backbone interact. energy: -1.030 local terms energy: -204.142494 where: bonds (distance) C4'-P energy: -66.549 bonds (distance) P-C4' energy: -48.608 flat angles C4'-P-C4' energy: -53.365 flat angles P-C4'-P energy: -33.102 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -293.585013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.585013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.585013 (E_RNA) where: Base-Base interactions energy: -105.222 where: short stacking energy: -73.912 Base-Backbone interact. energy: 2.937 local terms energy: -191.299304 where: bonds (distance) C4'-P energy: -72.806 bonds (distance) P-C4' energy: -56.222 flat angles C4'-P-C4' energy: -43.303 flat angles P-C4'-P energy: -30.351 tors. eta vs tors. theta energy: 11.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1157.469560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.469560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.469560 (E_RNA) where: Base-Base interactions energy: -806.096 where: short stacking energy: -303.386 Base-Backbone interact. energy: 1.072 local terms energy: -352.445197 where: bonds (distance) C4'-P energy: -78.313 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -78.976 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: -82.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1053.809680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.809680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.809680 (E_RNA) where: Base-Base interactions energy: -694.074 where: short stacking energy: -312.540 Base-Backbone interact. energy: -0.595 local terms energy: -359.140777 where: bonds (distance) C4'-P energy: -71.332 bonds (distance) P-C4' energy: -65.046 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -83.798 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1046.629652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.629652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.629652 (E_RNA) where: Base-Base interactions energy: -690.619 where: short stacking energy: -318.580 Base-Backbone interact. energy: -1.105 local terms energy: -354.905641 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -75.120 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -100.450 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -963.121188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.121188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.121188 (E_RNA) where: Base-Base interactions energy: -644.582 where: short stacking energy: -279.949 Base-Backbone interact. energy: 2.744 local terms energy: -321.283065 where: bonds (distance) C4'-P energy: -68.533 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -61.030 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -79.667 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: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -848.864373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.864373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.864373 (E_RNA) where: Base-Base interactions energy: -549.988 where: short stacking energy: -226.508 Base-Backbone interact. energy: -3.200 local terms energy: -295.676695 where: bonds (distance) C4'-P energy: -68.407 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -62.996 flat angles P-C4'-P energy: -35.874 tors. eta vs tors. theta energy: -56.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -695.476681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.476681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.476681 (E_RNA) where: Base-Base interactions energy: -433.064 where: short stacking energy: -182.683 Base-Backbone interact. energy: -0.614 local terms energy: -261.798388 where: bonds (distance) C4'-P energy: -68.569 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -69.346 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -25.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -606.017683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.017683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.017683 (E_RNA) where: Base-Base interactions energy: -375.060 where: short stacking energy: -180.779 Base-Backbone interact. energy: -1.527 local terms energy: -229.430911 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -56.417 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: -22.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -476.640767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.640767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.640767 (E_RNA) where: Base-Base interactions energy: -230.439 where: short stacking energy: -128.337 Base-Backbone interact. energy: -1.087 local terms energy: -245.115708 where: bonds (distance) C4'-P energy: -67.416 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -66.800 flat angles P-C4'-P energy: -33.116 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -398.067693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.067693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.067693 (E_RNA) where: Base-Base interactions energy: -190.000 where: short stacking energy: -123.225 Base-Backbone interact. energy: -1.145 local terms energy: -206.923101 where: bonds (distance) C4'-P energy: -61.532 bonds (distance) P-C4' energy: -59.635 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -21.255 tors. eta vs tors. theta energy: 1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -297.047600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.047600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.047600 (E_RNA) where: Base-Base interactions energy: -99.615 where: short stacking energy: -80.697 Base-Backbone interact. energy: 3.398 local terms energy: -200.830930 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -71.148 flat angles C4'-P-C4' energy: -41.545 flat angles P-C4'-P energy: -38.404 tors. eta vs tors. theta energy: 15.279 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: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1173.008828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.008828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.008828 (E_RNA) where: Base-Base interactions energy: -824.140 where: short stacking energy: -325.208 Base-Backbone interact. energy: -3.488 local terms energy: -345.380605 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -67.714 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: -91.895 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: 39 Temperature: 0.950000 Total energy: -1085.794083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.794083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.794083 (E_RNA) where: Base-Base interactions energy: -722.718 where: short stacking energy: -323.176 Base-Backbone interact. energy: -1.634 local terms energy: -361.441503 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -68.704 flat angles C4'-P-C4' energy: -79.317 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -98.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1057.936459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.936459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.936459 (E_RNA) where: Base-Base interactions energy: -692.445 where: short stacking energy: -329.272 Base-Backbone interact. energy: -0.601 local terms energy: -364.890389 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -72.533 flat angles C4'-P-C4' energy: -76.927 flat angles P-C4'-P energy: -47.832 tors. eta vs tors. theta energy: -96.484 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: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -984.394752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.394752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.394752 (E_RNA) where: Base-Base interactions energy: -632.439 where: short stacking energy: -261.258 Base-Backbone interact. energy: -1.382 local terms energy: -350.573334 where: bonds (distance) C4'-P energy: -75.160 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -71.464 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -79.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -809.750655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.750655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.750655 (E_RNA) where: Base-Base interactions energy: -519.946 where: short stacking energy: -232.089 Base-Backbone interact. energy: -0.427 local terms energy: -289.377748 where: bonds (distance) C4'-P energy: -68.163 bonds (distance) P-C4' energy: -67.644 flat angles C4'-P-C4' energy: -70.760 flat angles P-C4'-P energy: -29.644 tors. eta vs tors. theta energy: -53.167 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: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -738.821202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.821202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.821202 (E_RNA) where: Base-Base interactions energy: -476.564 where: short stacking energy: -190.968 Base-Backbone interact. energy: 1.111 local terms energy: -263.368013 where: bonds (distance) C4'-P energy: -68.214 bonds (distance) P-C4' energy: -64.714 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -24.925 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: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -608.471232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.471232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.471232 (E_RNA) where: Base-Base interactions energy: -340.747 where: short stacking energy: -166.472 Base-Backbone interact. energy: -4.091 local terms energy: -263.633726 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -62.636 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -30.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -466.360119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.360119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.360119 (E_RNA) where: Base-Base interactions energy: -224.904 where: short stacking energy: -125.780 Base-Backbone interact. energy: 0.340 local terms energy: -241.796874 where: bonds (distance) C4'-P energy: -54.441 bonds (distance) P-C4' energy: -66.365 flat angles C4'-P-C4' energy: -74.763 flat angles P-C4'-P energy: -36.334 tors. eta vs tors. theta energy: -9.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -435.017944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.017944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.017944 (E_RNA) where: Base-Base interactions energy: -221.113 where: short stacking energy: -108.545 Base-Backbone interact. energy: -0.417 local terms energy: -213.488757 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -67.972 flat angles C4'-P-C4' energy: -52.111 flat angles P-C4'-P energy: -33.771 tors. eta vs tors. theta energy: 0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -295.592379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.592379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.592379 (E_RNA) where: Base-Base interactions energy: -120.679 where: short stacking energy: -95.495 Base-Backbone interact. energy: 3.673 local terms energy: -178.586201 where: bonds (distance) C4'-P energy: -39.411 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -53.405 flat angles P-C4'-P energy: -21.440 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1173.402253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.402253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.402253 (E_RNA) where: Base-Base interactions energy: -829.738 where: short stacking energy: -312.636 Base-Backbone interact. energy: -2.152 local terms energy: -341.512256 where: bonds (distance) C4'-P energy: -76.469 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -73.086 flat angles P-C4'-P energy: -40.686 tors. eta vs tors. theta energy: -86.901 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: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1122.351577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.351577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.351577 (E_RNA) where: Base-Base interactions energy: -759.034 where: short stacking energy: -327.969 Base-Backbone interact. energy: -2.894 local terms energy: -360.423382 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -82.965 flat angles P-C4'-P energy: -41.878 tors. eta vs tors. theta energy: -92.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1082.655777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.655777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.655777 (E_RNA) where: Base-Base interactions energy: -706.896 where: short stacking energy: -322.608 Base-Backbone interact. energy: -1.307 local terms energy: -374.453018 where: bonds (distance) C4'-P energy: -66.361 bonds (distance) P-C4' energy: -81.003 flat angles C4'-P-C4' energy: -82.761 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: -89.434 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -987.170135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.170135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.170135 (E_RNA) where: Base-Base interactions energy: -665.404 where: short stacking energy: -275.601 Base-Backbone interact. energy: 4.419 local terms energy: -326.185923 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -70.299 flat angles C4'-P-C4' energy: -68.013 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -79.890 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: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -854.834577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.834577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.834577 (E_RNA) where: Base-Base interactions energy: -542.011 where: short stacking energy: -230.858 Base-Backbone interact. energy: -2.262 local terms energy: -310.561764 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -68.946 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -57.370 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -747.435922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.435922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.435922 (E_RNA) where: Base-Base interactions energy: -482.259 where: short stacking energy: -203.533 Base-Backbone interact. energy: -3.064 local terms energy: -262.113117 where: bonds (distance) C4'-P energy: -54.066 bonds (distance) P-C4' energy: -70.861 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -37.299 tors. eta vs tors. theta energy: -33.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -618.810603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.810603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.810603 (E_RNA) where: Base-Base interactions energy: -330.922 where: short stacking energy: -162.585 Base-Backbone interact. energy: -1.425 local terms energy: -286.462974 where: bonds (distance) C4'-P energy: -73.362 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -43.617 tors. eta vs tors. theta energy: -41.137 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -487.571859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.571859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.571859 (E_RNA) where: Base-Base interactions energy: -253.148 where: short stacking energy: -135.911 Base-Backbone interact. energy: -0.814 local terms energy: -233.609345 where: bonds (distance) C4'-P energy: -58.368 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -60.805 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -16.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -312.344843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.344843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.344843 (E_RNA) where: Base-Base interactions energy: -93.421 where: short stacking energy: -74.504 Base-Backbone interact. energy: -3.925 local terms energy: -214.999359 where: bonds (distance) C4'-P energy: -64.688 bonds (distance) P-C4' energy: -65.963 flat angles C4'-P-C4' energy: -51.904 flat angles P-C4'-P energy: -37.328 tors. eta vs tors. theta energy: 4.884 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: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -356.412631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.412631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.412631 (E_RNA) where: Base-Base interactions energy: -151.321 where: short stacking energy: -100.885 Base-Backbone interact. energy: -0.956 local terms energy: -204.135405 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -53.122 flat angles C4'-P-C4' energy: -54.329 flat angles P-C4'-P energy: -42.795 tors. eta vs tors. theta energy: 5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1198.676710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.676710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.676710 (E_RNA) where: Base-Base interactions energy: -850.359 where: short stacking energy: -323.716 Base-Backbone interact. energy: -2.055 local terms energy: -346.263088 where: bonds (distance) C4'-P energy: -69.619 bonds (distance) P-C4' energy: -67.566 flat angles C4'-P-C4' energy: -66.456 flat angles P-C4'-P energy: -49.807 tors. eta vs tors. theta energy: -92.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1109.541224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.541224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.541224 (E_RNA) where: Base-Base interactions energy: -728.961 where: short stacking energy: -337.519 Base-Backbone interact. energy: -0.909 local terms energy: -379.670996 where: bonds (distance) C4'-P energy: -67.504 bonds (distance) P-C4' energy: -70.390 flat angles C4'-P-C4' energy: -89.760 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: -104.206 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: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1056.212631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.212631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.212631 (E_RNA) where: Base-Base interactions energy: -718.047 where: short stacking energy: -300.286 Base-Backbone interact. energy: 3.622 local terms energy: -341.788211 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -66.813 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -82.471 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: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -981.540628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.540628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.540628 (E_RNA) where: Base-Base interactions energy: -628.856 where: short stacking energy: -273.735 Base-Backbone interact. energy: -1.603 local terms energy: -351.081335 where: bonds (distance) C4'-P energy: -65.486 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -83.815 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -90.410 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: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -850.777516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.777516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.777516 (E_RNA) where: Base-Base interactions energy: -548.363 where: short stacking energy: -226.017 Base-Backbone interact. energy: -2.662 local terms energy: -299.753073 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -66.042 flat angles C4'-P-C4' energy: -72.676 flat angles P-C4'-P energy: -39.678 tors. eta vs tors. theta energy: -56.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -761.383485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.383485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.383485 (E_RNA) where: Base-Base interactions energy: -460.467 where: short stacking energy: -220.131 Base-Backbone interact. energy: 1.611 local terms energy: -302.527295 where: bonds (distance) C4'-P energy: -69.718 bonds (distance) P-C4' energy: -76.050 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -40.684 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -599.614373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.614373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.614373 (E_RNA) where: Base-Base interactions energy: -355.601 where: short stacking energy: -188.834 Base-Backbone interact. energy: -2.327 local terms energy: -241.685555 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -57.031 flat angles C4'-P-C4' energy: -58.276 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: -34.156 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: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -471.412186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.412186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.412186 (E_RNA) where: Base-Base interactions energy: -236.236 where: short stacking energy: -139.902 Base-Backbone interact. energy: -1.287 local terms energy: -233.889232 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -55.605 flat angles C4'-P-C4' energy: -47.690 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -19.094 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: 41 Temperature: 1.300000 Total energy: -300.205275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.205275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.205275 (E_RNA) where: Base-Base interactions energy: -109.805 where: short stacking energy: -88.920 Base-Backbone interact. energy: 1.372 local terms energy: -191.772255 where: bonds (distance) C4'-P energy: -49.116 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -62.420 flat angles P-C4'-P energy: -22.579 tors. eta vs tors. theta energy: 8.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -321.264729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.264729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.264729 (E_RNA) where: Base-Base interactions energy: -118.034 where: short stacking energy: -101.605 Base-Backbone interact. energy: 1.600 local terms energy: -204.830835 where: bonds (distance) C4'-P energy: -54.000 bonds (distance) P-C4' energy: -59.850 flat angles C4'-P-C4' energy: -51.043 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1146.561477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.561477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.561477 (E_RNA) where: Base-Base interactions energy: -791.823 where: short stacking energy: -329.159 Base-Backbone interact. energy: -0.012 local terms energy: -354.726823 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -69.727 flat angles C4'-P-C4' energy: -82.133 flat angles P-C4'-P energy: -45.508 tors. eta vs tors. theta energy: -88.828 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: 42 Temperature: 0.950000 Total energy: -1072.392636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.392636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.392636 (E_RNA) where: Base-Base interactions energy: -700.233 where: short stacking energy: -297.861 Base-Backbone interact. energy: -2.032 local terms energy: -370.127424 where: bonds (distance) C4'-P energy: -72.936 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -76.117 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -97.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1045.455707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.455707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.455707 (E_RNA) where: Base-Base interactions energy: -695.135 where: short stacking energy: -304.962 Base-Backbone interact. energy: 0.471 local terms energy: -350.791533 where: bonds (distance) C4'-P energy: -58.980 bonds (distance) P-C4' energy: -72.767 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -48.771 tors. eta vs tors. theta energy: -89.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -947.051745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.051745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.051745 (E_RNA) where: Base-Base interactions energy: -615.383 where: short stacking energy: -297.544 Base-Backbone interact. energy: -0.884 local terms energy: -330.785302 where: bonds (distance) C4'-P energy: -75.608 bonds (distance) P-C4' energy: -65.934 flat angles C4'-P-C4' energy: -71.495 flat angles P-C4'-P energy: -35.428 tors. eta vs tors. theta energy: -82.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -849.836147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.836147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.836147 (E_RNA) where: Base-Base interactions energy: -536.437 where: short stacking energy: -256.217 Base-Backbone interact. energy: 1.304 local terms energy: -314.702796 where: bonds (distance) C4'-P energy: -76.356 bonds (distance) P-C4' energy: -64.695 flat angles C4'-P-C4' energy: -54.099 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -73.662 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -709.985602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.985602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.985602 (E_RNA) where: Base-Base interactions energy: -440.319 where: short stacking energy: -185.211 Base-Backbone interact. energy: 0.693 local terms energy: -270.359344 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -66.019 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -597.184955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.184955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.184955 (E_RNA) where: Base-Base interactions energy: -337.439 where: short stacking energy: -161.281 Base-Backbone interact. energy: 0.557 local terms energy: -260.302995 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -65.423 flat angles P-C4'-P energy: -35.455 tors. eta vs tors. theta energy: -23.141 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: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -453.270259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.270259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.270259 (E_RNA) where: Base-Base interactions energy: -230.870 where: short stacking energy: -123.383 Base-Backbone interact. energy: 1.268 local terms energy: -223.668188 where: bonds (distance) C4'-P energy: -73.287 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -54.082 flat angles P-C4'-P energy: -30.453 tors. eta vs tors. theta energy: -0.412 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: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -342.575517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.575517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.575517 (E_RNA) where: Base-Base interactions energy: -132.590 where: short stacking energy: -99.832 Base-Backbone interact. energy: -1.237 local terms energy: -208.748299 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -73.410 flat angles C4'-P-C4' energy: -49.837 flat angles P-C4'-P energy: -22.845 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -305.359494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.359494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.359494 (E_RNA) where: Base-Base interactions energy: -115.026 where: short stacking energy: -81.134 Base-Backbone interact. energy: -0.144 local terms energy: -190.189298 where: bonds (distance) C4'-P energy: -53.052 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -53.334 flat angles P-C4'-P energy: -34.608 tors. eta vs tors. theta energy: 10.076 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: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1169.388967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.388967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.388967 (E_RNA) where: Base-Base interactions energy: -796.142 where: short stacking energy: -343.984 Base-Backbone interact. energy: 1.570 local terms energy: -374.817359 where: bonds (distance) C4'-P energy: -66.277 bonds (distance) P-C4' energy: -78.714 flat angles C4'-P-C4' energy: -79.187 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -93.695 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: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1104.586275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.586275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.586275 (E_RNA) where: Base-Base interactions energy: -736.142 where: short stacking energy: -344.058 Base-Backbone interact. energy: 1.536 local terms energy: -369.979617 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -73.773 flat angles C4'-P-C4' energy: -73.716 flat angles P-C4'-P energy: -58.239 tors. eta vs tors. theta energy: -101.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1071.570337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.570337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.570337 (E_RNA) where: Base-Base interactions energy: -724.139 where: short stacking energy: -328.211 Base-Backbone interact. energy: -1.698 local terms energy: -345.733563 where: bonds (distance) C4'-P energy: -65.022 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -94.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -934.091526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.091526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.091526 (E_RNA) where: Base-Base interactions energy: -603.270 where: short stacking energy: -291.998 Base-Backbone interact. energy: 0.002 local terms energy: -330.823499 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -70.206 flat angles C4'-P-C4' energy: -75.267 flat angles P-C4'-P energy: -31.785 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: 5, replica: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -842.460039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.460039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.460039 (E_RNA) where: Base-Base interactions energy: -546.643 where: short stacking energy: -240.807 Base-Backbone interact. energy: -0.610 local terms energy: -295.207402 where: bonds (distance) C4'-P energy: -70.137 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -69.910 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -59.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -679.350086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.350086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.350086 (E_RNA) where: Base-Base interactions energy: -390.735 where: short stacking energy: -191.310 Base-Backbone interact. energy: 0.636 local terms energy: -289.251301 where: bonds (distance) C4'-P energy: -73.286 bonds (distance) P-C4' energy: -67.356 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -46.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -661.723310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.723310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.723310 (E_RNA) where: Base-Base interactions energy: -421.389 where: short stacking energy: -181.630 Base-Backbone interact. energy: 3.881 local terms energy: -244.215791 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -68.667 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -29.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -434.539472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.539472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.539472 (E_RNA) where: Base-Base interactions energy: -226.855 where: short stacking energy: -98.217 Base-Backbone interact. energy: 1.201 local terms energy: -208.884733 where: bonds (distance) C4'-P energy: -63.798 bonds (distance) P-C4' energy: -70.246 flat angles C4'-P-C4' energy: -52.163 flat angles P-C4'-P energy: -18.616 tors. eta vs tors. theta energy: -4.060 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: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -320.850254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.850254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.850254 (E_RNA) where: Base-Base interactions energy: -118.025 where: short stacking energy: -103.522 Base-Backbone interact. energy: 2.165 local terms energy: -204.990621 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -57.127 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -36.385 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -339.647519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.647519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.647519 (E_RNA) where: Base-Base interactions energy: -139.614 where: short stacking energy: -90.723 Base-Backbone interact. energy: 1.450 local terms energy: -201.483429 where: bonds (distance) C4'-P energy: -57.286 bonds (distance) P-C4' energy: -68.254 flat angles C4'-P-C4' energy: -48.009 flat angles P-C4'-P energy: -26.948 tors. eta vs tors. theta energy: -0.986 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1125.041988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.041988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.041988 (E_RNA) where: Base-Base interactions energy: -744.527 where: short stacking energy: -344.569 Base-Backbone interact. energy: -0.710 local terms energy: -379.805111 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -71.085 flat angles C4'-P-C4' energy: -77.121 flat angles P-C4'-P energy: -56.332 tors. eta vs tors. theta energy: -97.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1153.012301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.012301 (E_RNA) where: Base-Base interactions energy: -800.027 where: short stacking energy: -332.072 Base-Backbone interact. energy: 0.564 local terms energy: -353.548676 where: bonds (distance) C4'-P energy: -68.087 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -93.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1089.468771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.468771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.468771 (E_RNA) where: Base-Base interactions energy: -731.391 where: short stacking energy: -321.959 Base-Backbone interact. energy: -1.186 local terms energy: -356.891060 where: bonds (distance) C4'-P energy: -66.121 bonds (distance) P-C4' energy: -53.268 flat angles C4'-P-C4' energy: -80.390 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -94.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -941.264722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.264722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.264722 (E_RNA) where: Base-Base interactions energy: -616.444 where: short stacking energy: -284.994 Base-Backbone interact. energy: 0.982 local terms energy: -325.803398 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -71.878 flat angles C4'-P-C4' energy: -66.372 flat angles P-C4'-P energy: -35.626 tors. eta vs tors. theta energy: -80.662 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: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -894.591681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.591681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.591681 (E_RNA) where: Base-Base interactions energy: -594.683 where: short stacking energy: -249.331 Base-Backbone interact. energy: -0.998 local terms energy: -298.911356 where: bonds (distance) C4'-P energy: -49.316 bonds (distance) P-C4' energy: -70.629 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -39.990 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: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -673.807988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.807988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.807988 (E_RNA) where: Base-Base interactions energy: -388.440 where: short stacking energy: -190.710 Base-Backbone interact. energy: -3.224 local terms energy: -282.143722 where: bonds (distance) C4'-P energy: -62.087 bonds (distance) P-C4' energy: -71.617 flat angles C4'-P-C4' energy: -68.555 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -46.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -664.042764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.042764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.042764 (E_RNA) where: Base-Base interactions energy: -404.525 where: short stacking energy: -182.048 Base-Backbone interact. energy: -1.971 local terms energy: -257.546865 where: bonds (distance) C4'-P energy: -57.934 bonds (distance) P-C4' energy: -54.182 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -52.076 tors. eta vs tors. theta energy: -28.157 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -488.048717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.048717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.048717 (E_RNA) where: Base-Base interactions energy: -261.887 where: short stacking energy: -130.446 Base-Backbone interact. energy: 0.657 local terms energy: -226.819204 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -72.717 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -16.049 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -318.018971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.018971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.018971 (E_RNA) where: Base-Base interactions energy: -120.507 where: short stacking energy: -86.684 Base-Backbone interact. energy: -0.642 local terms energy: -196.869818 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -58.020 flat angles P-C4'-P energy: -28.223 tors. eta vs tors. theta energy: 17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -291.213887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.213887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.213887 (E_RNA) where: Base-Base interactions energy: -98.494 where: short stacking energy: -76.311 Base-Backbone interact. energy: -1.138 local terms energy: -191.581849 where: bonds (distance) C4'-P energy: -46.362 bonds (distance) P-C4' energy: -70.183 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -33.247 tors. eta vs tors. theta energy: 6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1123.979245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.979245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.979245 (E_RNA) where: Base-Base interactions energy: -749.935 where: short stacking energy: -322.243 Base-Backbone interact. energy: -1.652 local terms energy: -372.392562 where: bonds (distance) C4'-P energy: -70.055 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -70.543 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -100.046 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: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1146.867551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.867551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.867551 (E_RNA) where: Base-Base interactions energy: -782.437 where: short stacking energy: -317.812 Base-Backbone interact. energy: 0.629 local terms energy: -365.059463 where: bonds (distance) C4'-P energy: -74.180 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -61.404 tors. eta vs tors. theta energy: -94.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1072.142173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.142173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.142173 (E_RNA) where: Base-Base interactions energy: -732.884 where: short stacking energy: -304.864 Base-Backbone interact. energy: 1.959 local terms energy: -341.217233 where: bonds (distance) C4'-P energy: -68.548 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -75.035 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -84.759 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: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -966.706736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.706736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.706736 (E_RNA) where: Base-Base interactions energy: -637.665 where: short stacking energy: -285.173 Base-Backbone interact. energy: -0.655 local terms energy: -328.386767 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -61.966 flat angles C4'-P-C4' energy: -73.663 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: -85.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -963.448900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.448900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.448900 (E_RNA) where: Base-Base interactions energy: -638.895 where: short stacking energy: -303.112 Base-Backbone interact. energy: -1.468 local terms energy: -323.086025 where: bonds (distance) C4'-P energy: -51.858 bonds (distance) P-C4' energy: -63.076 flat angles C4'-P-C4' energy: -78.203 flat angles P-C4'-P energy: -43.801 tors. eta vs tors. theta energy: -86.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -701.219088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.219088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.219088 (E_RNA) where: Base-Base interactions energy: -438.493 where: short stacking energy: -192.909 Base-Backbone interact. energy: -1.725 local terms energy: -261.000897 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -62.902 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -36.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -668.790354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.790354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.790354 (E_RNA) where: Base-Base interactions energy: -404.751 where: short stacking energy: -186.421 Base-Backbone interact. energy: 0.701 local terms energy: -264.740428 where: bonds (distance) C4'-P energy: -68.084 bonds (distance) P-C4' energy: -57.533 flat angles C4'-P-C4' energy: -72.282 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: -28.898 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: 45 Temperature: 1.250000 Total energy: -473.421294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.421294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.421294 (E_RNA) where: Base-Base interactions energy: -248.139 where: short stacking energy: -139.308 Base-Backbone interact. energy: -0.088 local terms energy: -225.194722 where: bonds (distance) C4'-P energy: -59.600 bonds (distance) P-C4' energy: -52.632 flat angles C4'-P-C4' energy: -58.674 flat angles P-C4'-P energy: -32.962 tors. eta vs tors. theta energy: -21.328 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: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -306.519551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.519551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.519551 (E_RNA) where: Base-Base interactions energy: -114.370 where: short stacking energy: -92.266 Base-Backbone interact. energy: 2.646 local terms energy: -194.796133 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -59.563 flat angles C4'-P-C4' energy: -53.340 flat angles P-C4'-P energy: -17.367 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -338.018419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.018419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.018419 (E_RNA) where: Base-Base interactions energy: -142.486 where: short stacking energy: -98.941 Base-Backbone interact. energy: 5.746 local terms energy: -201.278363 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -55.878 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: 9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1098.476178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.476178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.476178 (E_RNA) where: Base-Base interactions energy: -720.962 where: short stacking energy: -317.419 Base-Backbone interact. energy: -1.287 local terms energy: -376.226443 where: bonds (distance) C4'-P energy: -80.395 bonds (distance) P-C4' energy: -69.823 flat angles C4'-P-C4' energy: -76.672 flat angles P-C4'-P energy: -52.042 tors. eta vs tors. theta energy: -97.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1140.337380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.337380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.337380 (E_RNA) where: Base-Base interactions energy: -781.739 where: short stacking energy: -327.218 Base-Backbone interact. energy: -1.183 local terms energy: -357.414748 where: bonds (distance) C4'-P energy: -70.526 bonds (distance) P-C4' energy: -71.234 flat angles C4'-P-C4' energy: -79.495 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -93.376 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: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1094.497438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.497438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.497438 (E_RNA) where: Base-Base interactions energy: -735.744 where: short stacking energy: -316.391 Base-Backbone interact. energy: -1.917 local terms energy: -356.835925 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -67.391 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -90.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -971.840893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.840893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.840893 (E_RNA) where: Base-Base interactions energy: -642.417 where: short stacking energy: -284.795 Base-Backbone interact. energy: -0.721 local terms energy: -328.702922 where: bonds (distance) C4'-P energy: -74.312 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -74.202 flat angles P-C4'-P energy: -35.980 tors. eta vs tors. theta energy: -80.712 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: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -928.000393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.000393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.000393 (E_RNA) where: Base-Base interactions energy: -599.808 where: short stacking energy: -263.667 Base-Backbone interact. energy: -1.074 local terms energy: -327.118827 where: bonds (distance) C4'-P energy: -63.494 bonds (distance) P-C4' energy: -61.260 flat angles C4'-P-C4' energy: -75.539 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -78.225 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: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -713.050337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.050337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.050337 (E_RNA) where: Base-Base interactions energy: -445.595 where: short stacking energy: -208.084 Base-Backbone interact. energy: -2.141 local terms energy: -265.313670 where: bonds (distance) C4'-P energy: -61.604 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -32.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -659.598461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.598461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.598461 (E_RNA) where: Base-Base interactions energy: -414.000 where: short stacking energy: -202.281 Base-Backbone interact. energy: -2.406 local terms energy: -243.191910 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -58.185 flat angles P-C4'-P energy: -28.148 tors. eta vs tors. theta energy: -30.506 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: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -476.216356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.216356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.216356 (E_RNA) where: Base-Base interactions energy: -252.726 where: short stacking energy: -137.830 Base-Backbone interact. energy: 2.657 local terms energy: -226.146975 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -61.973 flat angles C4'-P-C4' energy: -56.805 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -9.699 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: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -361.559213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.559213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.559213 (E_RNA) where: Base-Base interactions energy: -160.390 where: short stacking energy: -102.870 Base-Backbone interact. energy: 1.052 local terms energy: -202.221212 where: bonds (distance) C4'-P energy: -46.256 bonds (distance) P-C4' energy: -62.701 flat angles C4'-P-C4' energy: -52.854 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -1.921 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: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -295.223365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.223365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.223365 (E_RNA) where: Base-Base interactions energy: -113.829 where: short stacking energy: -100.803 Base-Backbone interact. energy: -0.151 local terms energy: -181.243366 where: bonds (distance) C4'-P energy: -48.800 bonds (distance) P-C4' energy: -56.521 flat angles C4'-P-C4' energy: -44.960 flat angles P-C4'-P energy: -27.328 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1117.496316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.496316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.496316 (E_RNA) where: Base-Base interactions energy: -724.578 where: short stacking energy: -324.797 Base-Backbone interact. energy: -0.634 local terms energy: -392.284629 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -77.511 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -103.217 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: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1149.886950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.886950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.886950 (E_RNA) where: Base-Base interactions energy: -764.532 where: short stacking energy: -333.696 Base-Backbone interact. energy: -2.832 local terms energy: -382.523443 where: bonds (distance) C4'-P energy: -73.730 bonds (distance) P-C4' energy: -67.336 flat angles C4'-P-C4' energy: -79.376 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -101.538 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: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1061.390650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.390650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.390650 (E_RNA) where: Base-Base interactions energy: -703.963 where: short stacking energy: -290.850 Base-Backbone interact. energy: -2.737 local terms energy: -354.690452 where: bonds (distance) C4'-P energy: -62.628 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -81.996 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -86.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1032.580270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.580270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.580270 (E_RNA) where: Base-Base interactions energy: -668.110 where: short stacking energy: -305.354 Base-Backbone interact. energy: -1.520 local terms energy: -362.950383 where: bonds (distance) C4'-P energy: -69.747 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -51.599 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: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -880.577580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.577580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.577580 (E_RNA) where: Base-Base interactions energy: -574.607 where: short stacking energy: -270.480 Base-Backbone interact. energy: -1.593 local terms energy: -304.377781 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -69.285 flat angles P-C4'-P energy: -28.329 tors. eta vs tors. theta energy: -80.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -715.454294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.454294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.454294 (E_RNA) where: Base-Base interactions energy: -451.945 where: short stacking energy: -211.694 Base-Backbone interact. energy: 10.070 local terms energy: -273.579819 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -62.549 flat angles C4'-P-C4' energy: -55.544 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -45.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -661.659970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.659970 (E_RNA) where: Base-Base interactions energy: -394.172 where: short stacking energy: -184.618 Base-Backbone interact. energy: -0.840 local terms energy: -266.648314 where: bonds (distance) C4'-P energy: -52.476 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -68.399 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -32.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -477.671793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.671793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.671793 (E_RNA) where: Base-Base interactions energy: -270.186 where: short stacking energy: -160.359 Base-Backbone interact. energy: -3.083 local terms energy: -204.402821 where: bonds (distance) C4'-P energy: -54.942 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -69.949 flat angles P-C4'-P energy: -21.318 tors. eta vs tors. theta energy: 6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -343.880794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.880794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.880794 (E_RNA) where: Base-Base interactions energy: -142.448 where: short stacking energy: -105.002 Base-Backbone interact. energy: 2.045 local terms energy: -203.477633 where: bonds (distance) C4'-P energy: -52.924 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -45.778 flat angles P-C4'-P energy: -29.501 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -275.869063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.869063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.869063 (E_RNA) where: Base-Base interactions energy: -70.377 where: short stacking energy: -56.456 Base-Backbone interact. energy: -0.135 local terms energy: -205.357649 where: bonds (distance) C4'-P energy: -77.973 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -49.865 flat angles P-C4'-P energy: -21.318 tors. eta vs tors. theta energy: 6.168 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: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1134.746992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.746992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.746992 (E_RNA) where: Base-Base interactions energy: -783.001 where: short stacking energy: -320.257 Base-Backbone interact. energy: 7.159 local terms energy: -358.904767 where: bonds (distance) C4'-P energy: -64.612 bonds (distance) P-C4' energy: -76.295 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -89.797 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: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1097.007263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.007263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.007263 (E_RNA) where: Base-Base interactions energy: -728.344 where: short stacking energy: -324.889 Base-Backbone interact. energy: -0.716 local terms energy: -367.948097 where: bonds (distance) C4'-P energy: -59.684 bonds (distance) P-C4' energy: -75.938 flat angles C4'-P-C4' energy: -76.708 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -102.777 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: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1073.833370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.833370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.833370 (E_RNA) where: Base-Base interactions energy: -711.653 where: short stacking energy: -325.864 Base-Backbone interact. energy: -3.039 local terms energy: -359.141908 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -68.441 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -58.164 tors. eta vs tors. theta energy: -97.812 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: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1051.287804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.287804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.287804 (E_RNA) where: Base-Base interactions energy: -688.013 where: short stacking energy: -314.097 Base-Backbone interact. energy: -2.078 local terms energy: -361.196693 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -71.085 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -97.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -885.538220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.538220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.538220 (E_RNA) where: Base-Base interactions energy: -604.171 where: short stacking energy: -261.698 Base-Backbone interact. energy: -1.198 local terms energy: -280.169613 where: bonds (distance) C4'-P energy: -53.401 bonds (distance) P-C4' energy: -60.135 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -64.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -721.869189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.869189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.869189 (E_RNA) where: Base-Base interactions energy: -455.365 where: short stacking energy: -207.710 Base-Backbone interact. energy: -0.888 local terms energy: -265.615994 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -60.271 flat angles C4'-P-C4' energy: -61.847 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: -44.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -712.356895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.356895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.356895 (E_RNA) where: Base-Base interactions energy: -430.887 where: short stacking energy: -196.594 Base-Backbone interact. energy: -0.989 local terms energy: -280.481108 where: bonds (distance) C4'-P energy: -68.854 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -51.308 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -47.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -510.437474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.437474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.437474 (E_RNA) where: Base-Base interactions energy: -282.057 where: short stacking energy: -141.353 Base-Backbone interact. energy: -1.777 local terms energy: -226.603589 where: bonds (distance) C4'-P energy: -60.588 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -58.947 flat angles P-C4'-P energy: -24.179 tors. eta vs tors. theta energy: -22.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -305.829004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.829004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.829004 (E_RNA) where: Base-Base interactions energy: -100.886 where: short stacking energy: -82.436 Base-Backbone interact. energy: -1.204 local terms energy: -203.738799 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -49.124 flat angles C4'-P-C4' energy: -54.579 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: 7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -287.486575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.486575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.486575 (E_RNA) where: Base-Base interactions energy: -107.286 where: short stacking energy: -78.540 Base-Backbone interact. energy: 0.636 local terms energy: -180.837038 where: bonds (distance) C4'-P energy: -40.514 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -18.840 tors. eta vs tors. theta energy: 5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1168.571961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.571961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.571961 (E_RNA) where: Base-Base interactions energy: -811.175 where: short stacking energy: -320.998 Base-Backbone interact. energy: -0.847 local terms energy: -356.550072 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -93.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1128.348157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.348157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.348157 (E_RNA) where: Base-Base interactions energy: -754.909 where: short stacking energy: -345.655 Base-Backbone interact. energy: -1.751 local terms energy: -371.687922 where: bonds (distance) C4'-P energy: -75.408 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -101.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1049.490689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.490689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.490689 (E_RNA) where: Base-Base interactions energy: -700.861 where: short stacking energy: -320.837 Base-Backbone interact. energy: -0.068 local terms energy: -348.561243 where: bonds (distance) C4'-P energy: -70.349 bonds (distance) P-C4' energy: -57.404 flat angles C4'-P-C4' energy: -78.462 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -968.739035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.739035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.739035 (E_RNA) where: Base-Base interactions energy: -638.961 where: short stacking energy: -269.690 Base-Backbone interact. energy: -1.024 local terms energy: -328.753696 where: bonds (distance) C4'-P energy: -58.856 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -79.114 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -82.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -933.040839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.040839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.040839 (E_RNA) where: Base-Base interactions energy: -597.783 where: short stacking energy: -274.294 Base-Backbone interact. energy: -1.550 local terms energy: -333.707670 where: bonds (distance) C4'-P energy: -73.159 bonds (distance) P-C4' energy: -61.344 flat angles C4'-P-C4' energy: -72.991 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -80.133 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: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -716.522652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.522652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.522652 (E_RNA) where: Base-Base interactions energy: -446.254 where: short stacking energy: -198.518 Base-Backbone interact. energy: -1.879 local terms energy: -268.389208 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -41.310 flat angles C4'-P-C4' energy: -77.701 flat angles P-C4'-P energy: -43.992 tors. eta vs tors. theta energy: -43.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -704.958861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.958861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.958861 (E_RNA) where: Base-Base interactions energy: -420.934 where: short stacking energy: -198.300 Base-Backbone interact. energy: -0.757 local terms energy: -283.268145 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -75.863 flat angles C4'-P-C4' energy: -60.668 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -42.151 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -544.581683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.581683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.581683 (E_RNA) where: Base-Base interactions energy: -281.551 where: short stacking energy: -129.515 Base-Backbone interact. energy: 0.174 local terms energy: -263.204103 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -71.670 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -47.307 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -345.080656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.080656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.080656 (E_RNA) where: Base-Base interactions energy: -159.757 where: short stacking energy: -92.320 Base-Backbone interact. energy: -1.488 local terms energy: -183.835022 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -50.527 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -29.371 tors. eta vs tors. theta energy: 9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -292.110264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.110264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.110264 (E_RNA) where: Base-Base interactions energy: -103.508 where: short stacking energy: -90.756 Base-Backbone interact. energy: 0.765 local terms energy: -189.368092 where: bonds (distance) C4'-P energy: -55.268 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -40.969 flat angles P-C4'-P energy: -30.974 tors. eta vs tors. theta energy: 4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1174.425573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.425573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.425573 (E_RNA) where: Base-Base interactions energy: -822.607 where: short stacking energy: -325.346 Base-Backbone interact. energy: 3.582 local terms energy: -355.400421 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -75.739 flat angles C4'-P-C4' energy: -72.298 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -91.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1127.569132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.569132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.569132 (E_RNA) where: Base-Base interactions energy: -746.029 where: short stacking energy: -328.295 Base-Backbone interact. energy: -4.678 local terms energy: -376.862485 where: bonds (distance) C4'-P energy: -76.015 bonds (distance) P-C4' energy: -74.606 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -99.152 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: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1062.703199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.703199 (E_RNA) where: Base-Base interactions energy: -696.155 where: short stacking energy: -314.059 Base-Backbone interact. energy: -0.222 local terms energy: -366.325344 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -75.799 flat angles P-C4'-P energy: -55.178 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1005.982761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.982761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.982761 (E_RNA) where: Base-Base interactions energy: -654.019 where: short stacking energy: -297.696 Base-Backbone interact. energy: -0.820 local terms energy: -351.143560 where: bonds (distance) C4'-P energy: -68.112 bonds (distance) P-C4' energy: -59.120 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -91.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -889.208300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.208300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.208300 (E_RNA) where: Base-Base interactions energy: -570.117 where: short stacking energy: -258.418 Base-Backbone interact. energy: -0.313 local terms energy: -318.778162 where: bonds (distance) C4'-P energy: -69.461 bonds (distance) P-C4' energy: -68.913 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -48.607 tors. eta vs tors. theta energy: -70.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -774.552267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.552267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.552267 (E_RNA) where: Base-Base interactions energy: -496.877 where: short stacking energy: -215.249 Base-Backbone interact. energy: -0.777 local terms energy: -276.897682 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -70.898 flat angles C4'-P-C4' energy: -61.050 flat angles P-C4'-P energy: -32.656 tors. eta vs tors. theta energy: -54.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -703.181457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.181457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.181457 (E_RNA) where: Base-Base interactions energy: -428.621 where: short stacking energy: -194.008 Base-Backbone interact. energy: -2.015 local terms energy: -272.546076 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -72.459 flat angles P-C4'-P energy: -31.944 tors. eta vs tors. theta energy: -38.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -496.642346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.642346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.642346 (E_RNA) where: Base-Base interactions energy: -271.153 where: short stacking energy: -148.851 Base-Backbone interact. energy: 0.974 local terms energy: -226.462867 where: bonds (distance) C4'-P energy: -27.686 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -47.744 tors. eta vs tors. theta energy: -21.810 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: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -345.529290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.529290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.529290 (E_RNA) where: Base-Base interactions energy: -150.039 where: short stacking energy: -105.097 Base-Backbone interact. energy: -1.907 local terms energy: -193.583328 where: bonds (distance) C4'-P energy: -46.483 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -41.964 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: 1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -308.490619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.490619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.490619 (E_RNA) where: Base-Base interactions energy: -115.345 where: short stacking energy: -91.114 Base-Backbone interact. energy: 0.044 local terms energy: -193.189127 where: bonds (distance) C4'-P energy: -50.217 bonds (distance) P-C4' energy: -64.140 flat angles C4'-P-C4' energy: -59.441 flat angles P-C4'-P energy: -28.489 tors. eta vs tors. theta energy: 9.098 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1165.894087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.894087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.894087 (E_RNA) where: Base-Base interactions energy: -802.943 where: short stacking energy: -334.907 Base-Backbone interact. energy: 3.815 local terms energy: -366.765853 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -75.186 flat angles C4'-P-C4' energy: -76.134 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: -95.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1113.564113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.564113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.564113 (E_RNA) where: Base-Base interactions energy: -725.334 where: short stacking energy: -336.585 Base-Backbone interact. energy: 2.207 local terms energy: -390.436772 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: -94.099 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1055.492810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.492810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.492810 (E_RNA) where: Base-Base interactions energy: -703.568 where: short stacking energy: -320.490 Base-Backbone interact. energy: -1.079 local terms energy: -350.845863 where: bonds (distance) C4'-P energy: -68.655 bonds (distance) P-C4' energy: -71.084 flat angles C4'-P-C4' energy: -83.272 flat angles P-C4'-P energy: -36.213 tors. eta vs tors. theta energy: -91.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1042.742419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.742419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.742419 (E_RNA) where: Base-Base interactions energy: -686.743 where: short stacking energy: -319.126 Base-Backbone interact. energy: -2.208 local terms energy: -353.791970 where: bonds (distance) C4'-P energy: -63.375 bonds (distance) P-C4' energy: -69.646 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -102.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -900.886909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.886909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.886909 (E_RNA) where: Base-Base interactions energy: -610.511 where: short stacking energy: -278.146 Base-Backbone interact. energy: -0.838 local terms energy: -289.537687 where: bonds (distance) C4'-P energy: -50.868 bonds (distance) P-C4' energy: -69.557 flat angles C4'-P-C4' energy: -57.425 flat angles P-C4'-P energy: -38.332 tors. eta vs tors. theta energy: -73.356 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -792.363028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.363028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.363028 (E_RNA) where: Base-Base interactions energy: -498.798 where: short stacking energy: -215.967 Base-Backbone interact. energy: 5.134 local terms energy: -298.699183 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -64.530 flat angles C4'-P-C4' energy: -73.964 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -56.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -635.000393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.000393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.000393 (E_RNA) where: Base-Base interactions energy: -376.677 where: short stacking energy: -167.251 Base-Backbone interact. energy: -1.831 local terms energy: -256.491959 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -70.573 flat angles C4'-P-C4' energy: -46.723 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -32.704 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: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -528.857614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.857614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.857614 (E_RNA) where: Base-Base interactions energy: -276.138 where: short stacking energy: -142.748 Base-Backbone interact. energy: -2.510 local terms energy: -250.209615 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -64.248 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -8.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -313.553772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.553772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.553772 (E_RNA) where: Base-Base interactions energy: -129.022 where: short stacking energy: -86.059 Base-Backbone interact. energy: -2.035 local terms energy: -182.496049 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -40.279 flat angles P-C4'-P energy: -28.887 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -308.984758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.984758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.984758 (E_RNA) where: Base-Base interactions energy: -107.933 where: short stacking energy: -82.789 Base-Backbone interact. energy: 0.806 local terms energy: -201.857132 where: bonds (distance) C4'-P energy: -64.688 bonds (distance) P-C4' energy: -60.805 flat angles C4'-P-C4' energy: -52.663 flat angles P-C4'-P energy: -30.757 tors. eta vs tors. theta energy: 7.056 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: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1131.773868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.773868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.773868 (E_RNA) where: Base-Base interactions energy: -784.871 where: short stacking energy: -340.152 Base-Backbone interact. energy: -1.159 local terms energy: -345.743064 where: bonds (distance) C4'-P energy: -64.215 bonds (distance) P-C4' energy: -76.558 flat angles C4'-P-C4' energy: -75.459 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: -91.204 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: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1127.654233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.654233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.654233 (E_RNA) where: Base-Base interactions energy: -755.383 where: short stacking energy: -335.620 Base-Backbone interact. energy: 0.731 local terms energy: -373.002781 where: bonds (distance) C4'-P energy: -70.340 bonds (distance) P-C4' energy: -73.851 flat angles C4'-P-C4' energy: -79.079 flat angles P-C4'-P energy: -52.167 tors. eta vs tors. theta energy: -97.565 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: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1075.416409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.416409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.416409 (E_RNA) where: Base-Base interactions energy: -711.455 where: short stacking energy: -307.193 Base-Backbone interact. energy: 3.658 local terms energy: -367.619359 where: bonds (distance) C4'-P energy: -69.998 bonds (distance) P-C4' energy: -70.167 flat angles C4'-P-C4' energy: -75.149 flat angles P-C4'-P energy: -53.299 tors. eta vs tors. theta energy: -99.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1034.611719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.611719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.611719 (E_RNA) where: Base-Base interactions energy: -680.384 where: short stacking energy: -299.127 Base-Backbone interact. energy: 0.673 local terms energy: -354.900440 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -85.420 flat angles P-C4'-P energy: -47.501 tors. eta vs tors. theta energy: -97.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -931.747620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.747620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.747620 (E_RNA) where: Base-Base interactions energy: -640.250 where: short stacking energy: -255.327 Base-Backbone interact. energy: -0.827 local terms energy: -290.670916 where: bonds (distance) C4'-P energy: -58.561 bonds (distance) P-C4' energy: -52.320 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: -69.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -776.583751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.583751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.583751 (E_RNA) where: Base-Base interactions energy: -506.900 where: short stacking energy: -208.730 Base-Backbone interact. energy: -0.089 local terms energy: -269.594843 where: bonds (distance) C4'-P energy: -65.552 bonds (distance) P-C4' energy: -66.120 flat angles C4'-P-C4' energy: -56.116 flat angles P-C4'-P energy: -42.858 tors. eta vs tors. theta energy: -38.948 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: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -537.149860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.149860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.149860 (E_RNA) where: Base-Base interactions energy: -294.683 where: short stacking energy: -146.565 Base-Backbone interact. energy: 1.522 local terms energy: -243.989384 where: bonds (distance) C4'-P energy: -61.480 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -54.260 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -21.800 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: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -633.058423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.058423 (E_RNA) where: Base-Base interactions energy: -406.758 where: short stacking energy: -165.890 Base-Backbone interact. energy: -1.764 local terms energy: -224.536844 where: bonds (distance) C4'-P energy: -40.942 bonds (distance) P-C4' energy: -70.865 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -28.574 tors. eta vs tors. theta energy: -13.510 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: 52 Temperature: 1.300000 Total energy: -301.360477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.360477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.360477 (E_RNA) where: Base-Base interactions energy: -109.008 where: short stacking energy: -83.461 Base-Backbone interact. energy: 6.657 local terms energy: -199.008708 where: bonds (distance) C4'-P energy: -70.971 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -43.818 flat angles P-C4'-P energy: -33.822 tors. eta vs tors. theta energy: 12.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -286.923530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.923530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.923530 (E_RNA) where: Base-Base interactions energy: -85.771 where: short stacking energy: -64.075 Base-Backbone interact. energy: 0.714 local terms energy: -201.866257 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -30.696 tors. eta vs tors. theta energy: 8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1190.276026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.276026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.276026 (E_RNA) where: Base-Base interactions energy: -803.287 where: short stacking energy: -332.982 Base-Backbone interact. energy: -0.860 local terms energy: -386.129972 where: bonds (distance) C4'-P energy: -79.095 bonds (distance) P-C4' energy: -74.889 flat angles C4'-P-C4' energy: -76.612 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: -105.217 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: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1128.353493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.353493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.353493 (E_RNA) where: Base-Base interactions energy: -753.078 where: short stacking energy: -311.538 Base-Backbone interact. energy: -3.576 local terms energy: -371.699296 where: bonds (distance) C4'-P energy: -75.175 bonds (distance) P-C4' energy: -70.743 flat angles C4'-P-C4' energy: -84.575 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -90.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1053.350305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.350305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.350305 (E_RNA) where: Base-Base interactions energy: -686.994 where: short stacking energy: -302.905 Base-Backbone interact. energy: -1.753 local terms energy: -364.603083 where: bonds (distance) C4'-P energy: -64.436 bonds (distance) P-C4' energy: -73.137 flat angles C4'-P-C4' energy: -84.141 flat angles P-C4'-P energy: -54.425 tors. eta vs tors. theta energy: -88.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1016.092829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.092829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.092829 (E_RNA) where: Base-Base interactions energy: -662.237 where: short stacking energy: -316.832 Base-Backbone interact. energy: -1.011 local terms energy: -352.844764 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -76.308 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: -94.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -915.762781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.762781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.762781 (E_RNA) where: Base-Base interactions energy: -595.417 where: short stacking energy: -256.145 Base-Backbone interact. energy: 1.384 local terms energy: -321.729305 where: bonds (distance) C4'-P energy: -66.475 bonds (distance) P-C4' energy: -76.912 flat angles C4'-P-C4' energy: -70.623 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: -69.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -751.433885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.433885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.433885 (E_RNA) where: Base-Base interactions energy: -486.041 where: short stacking energy: -212.952 Base-Backbone interact. energy: -1.237 local terms energy: -264.155543 where: bonds (distance) C4'-P energy: -52.178 bonds (distance) P-C4' energy: -65.186 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -48.386 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: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -588.892817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.892817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.892817 (E_RNA) where: Base-Base interactions energy: -335.771 where: short stacking energy: -151.038 Base-Backbone interact. energy: -2.228 local terms energy: -250.893174 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -29.274 tors. eta vs tors. theta energy: -20.703 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: 53 Temperature: 1.250000 Total energy: -549.400586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.400586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.400586 (E_RNA) where: Base-Base interactions energy: -334.051 where: short stacking energy: -141.328 Base-Backbone interact. energy: 1.883 local terms energy: -217.232654 where: bonds (distance) C4'-P energy: -65.626 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -50.453 flat angles P-C4'-P energy: -25.024 tors. eta vs tors. theta energy: -23.236 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: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -324.742464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.742464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.742464 (E_RNA) where: Base-Base interactions energy: -120.607 where: short stacking energy: -86.159 Base-Backbone interact. energy: -0.345 local terms energy: -203.791173 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -58.096 flat angles P-C4'-P energy: -40.728 tors. eta vs tors. theta energy: 9.770 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: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -314.037880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.037880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.037880 (E_RNA) where: Base-Base interactions energy: -139.606 where: short stacking energy: -96.751 Base-Backbone interact. energy: 1.584 local terms energy: -176.015507 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -53.375 flat angles C4'-P-C4' energy: -47.687 flat angles P-C4'-P energy: -26.750 tors. eta vs tors. theta energy: 12.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1186.478653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.478653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.478653 (E_RNA) where: Base-Base interactions energy: -814.077 where: short stacking energy: -332.303 Base-Backbone interact. energy: -0.120 local terms energy: -372.281744 where: bonds (distance) C4'-P energy: -75.511 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -95.669 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: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1113.258063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.258063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.258063 (E_RNA) where: Base-Base interactions energy: -747.146 where: short stacking energy: -311.876 Base-Backbone interact. energy: -3.438 local terms energy: -362.674644 where: bonds (distance) C4'-P energy: -71.106 bonds (distance) P-C4' energy: -70.973 flat angles C4'-P-C4' energy: -78.490 flat angles P-C4'-P energy: -53.024 tors. eta vs tors. theta energy: -89.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1055.051661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.051661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.051661 (E_RNA) where: Base-Base interactions energy: -683.814 where: short stacking energy: -311.754 Base-Backbone interact. energy: -1.148 local terms energy: -370.089146 where: bonds (distance) C4'-P energy: -71.941 bonds (distance) P-C4' energy: -63.368 flat angles C4'-P-C4' energy: -81.630 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -101.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1022.485614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.485614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.485614 (E_RNA) where: Base-Base interactions energy: -678.782 where: short stacking energy: -303.186 Base-Backbone interact. energy: -1.031 local terms energy: -342.673406 where: bonds (distance) C4'-P energy: -55.908 bonds (distance) P-C4' energy: -71.734 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -96.500 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: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -927.538197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.538197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.538197 (E_RNA) where: Base-Base interactions energy: -605.795 where: short stacking energy: -276.366 Base-Backbone interact. energy: -0.221 local terms energy: -321.522302 where: bonds (distance) C4'-P energy: -57.343 bonds (distance) P-C4' energy: -81.500 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -42.177 tors. eta vs tors. theta energy: -72.226 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -702.863370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.863370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.863370 (E_RNA) where: Base-Base interactions energy: -426.174 where: short stacking energy: -203.847 Base-Backbone interact. energy: -1.889 local terms energy: -274.800326 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -59.773 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -53.094 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: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -545.012156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.012156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.012156 (E_RNA) where: Base-Base interactions energy: -317.192 where: short stacking energy: -158.482 Base-Backbone interact. energy: 3.792 local terms energy: -231.612238 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -53.512 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -497.696866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.696866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.696866 (E_RNA) where: Base-Base interactions energy: -254.912 where: short stacking energy: -141.343 Base-Backbone interact. energy: 0.662 local terms energy: -243.447691 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -354.600411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.600411 (E_RNA) where: Base-Base interactions energy: -173.787 where: short stacking energy: -117.895 Base-Backbone interact. energy: -1.030 local terms energy: -179.783653 where: bonds (distance) C4'-P energy: -52.832 bonds (distance) P-C4' energy: -53.227 flat angles C4'-P-C4' energy: -40.852 flat angles P-C4'-P energy: -38.437 tors. eta vs tors. theta energy: 5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -293.579820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.579820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.579820 (E_RNA) where: Base-Base interactions energy: -91.788 where: short stacking energy: -79.962 Base-Backbone interact. energy: 0.393 local terms energy: -202.184454 where: bonds (distance) C4'-P energy: -46.599 bonds (distance) P-C4' energy: -67.128 flat angles C4'-P-C4' energy: -66.621 flat angles P-C4'-P energy: -33.215 tors. eta vs tors. theta energy: 11.379 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: 55 Temperature: 0.900000 Total energy: -1182.597737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.597737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.597737 (E_RNA) where: Base-Base interactions energy: -808.508 where: short stacking energy: -341.245 Base-Backbone interact. energy: 0.492 local terms energy: -374.581006 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -78.000 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -94.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1126.850816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.850816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.850816 (E_RNA) where: Base-Base interactions energy: -766.975 where: short stacking energy: -324.205 Base-Backbone interact. energy: -1.668 local terms energy: -358.207837 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -57.770 tors. eta vs tors. theta energy: -92.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1036.605646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.605646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.605646 (E_RNA) where: Base-Base interactions energy: -655.634 where: short stacking energy: -311.047 Base-Backbone interact. energy: 0.381 local terms energy: -381.352704 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -74.762 flat angles C4'-P-C4' energy: -79.830 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -98.411 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: 55 Temperature: 1.050000 Total energy: -1015.389831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.389831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.389831 (E_RNA) where: Base-Base interactions energy: -666.731 where: short stacking energy: -300.948 Base-Backbone interact. energy: -0.830 local terms energy: -347.828798 where: bonds (distance) C4'-P energy: -76.814 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -67.601 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: -87.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -938.528102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.528102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.528102 (E_RNA) where: Base-Base interactions energy: -608.235 where: short stacking energy: -282.459 Base-Backbone interact. energy: -0.662 local terms energy: -329.630589 where: bonds (distance) C4'-P energy: -69.666 bonds (distance) P-C4' energy: -75.327 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -47.921 tors. eta vs tors. theta energy: -66.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -691.444419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.444419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.444419 (E_RNA) where: Base-Base interactions energy: -414.794 where: short stacking energy: -215.970 Base-Backbone interact. energy: -0.849 local terms energy: -275.800674 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -60.365 flat angles P-C4'-P energy: -35.971 tors. eta vs tors. theta energy: -41.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -518.532425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.532425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.532425 (E_RNA) where: Base-Base interactions energy: -263.930 where: short stacking energy: -142.742 Base-Backbone interact. energy: 1.295 local terms energy: -255.897158 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -75.777 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -34.750 tors. eta vs tors. theta energy: -20.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -506.545663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.545663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.545663 (E_RNA) where: Base-Base interactions energy: -276.099 where: short stacking energy: -149.970 Base-Backbone interact. energy: 1.455 local terms energy: -231.901311 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -64.601 flat angles C4'-P-C4' energy: -59.373 flat angles P-C4'-P energy: -34.168 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: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -306.386034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.386034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.386034 (E_RNA) where: Base-Base interactions energy: -103.135 where: short stacking energy: -97.437 Base-Backbone interact. energy: 1.837 local terms energy: -205.087387 where: bonds (distance) C4'-P energy: -65.163 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -52.378 flat angles P-C4'-P energy: -26.032 tors. eta vs tors. theta energy: 5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -304.434478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.434478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.434478 (E_RNA) where: Base-Base interactions energy: -88.763 where: short stacking energy: -81.818 Base-Backbone interact. energy: 0.610 local terms energy: -216.281637 where: bonds (distance) C4'-P energy: -65.122 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -54.526 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: 2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1168.532202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.532202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.532202 (E_RNA) where: Base-Base interactions energy: -813.208 where: short stacking energy: -329.258 Base-Backbone interact. energy: -0.330 local terms energy: -354.994200 where: bonds (distance) C4'-P energy: -66.541 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -57.954 tors. eta vs tors. theta energy: -92.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1104.528096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.528096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.528096 (E_RNA) where: Base-Base interactions energy: -759.731 where: short stacking energy: -312.335 Base-Backbone interact. energy: 0.040 local terms energy: -344.837262 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -71.040 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -52.939 tors. eta vs tors. theta energy: -90.923 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: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1024.023317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.023317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.023317 (E_RNA) where: Base-Base interactions energy: -676.949 where: short stacking energy: -303.238 Base-Backbone interact. energy: -1.595 local terms energy: -345.479457 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -82.163 flat angles P-C4'-P energy: -49.987 tors. eta vs tors. theta energy: -92.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -963.944948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.944948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.944948 (E_RNA) where: Base-Base interactions energy: -627.788 where: short stacking energy: -291.652 Base-Backbone interact. energy: -1.071 local terms energy: -335.085992 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -73.805 flat angles P-C4'-P energy: -47.736 tors. eta vs tors. theta energy: -83.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -910.004701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.004701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.004701 (E_RNA) where: Base-Base interactions energy: -619.268 where: short stacking energy: -252.015 Base-Backbone interact. energy: -0.086 local terms energy: -290.651270 where: bonds (distance) C4'-P energy: -52.090 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -66.066 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -56.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -670.011322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.011322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.011322 (E_RNA) where: Base-Base interactions energy: -390.812 where: short stacking energy: -202.990 Base-Backbone interact. energy: -2.584 local terms energy: -276.615129 where: bonds (distance) C4'-P energy: -61.906 bonds (distance) P-C4' energy: -72.768 flat angles C4'-P-C4' energy: -61.811 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -41.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -567.002767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.002767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.002767 (E_RNA) where: Base-Base interactions energy: -312.599 where: short stacking energy: -159.533 Base-Backbone interact. energy: -2.000 local terms energy: -252.404459 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -61.328 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -21.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -490.201345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.201345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.201345 (E_RNA) where: Base-Base interactions energy: -253.335 where: short stacking energy: -127.781 Base-Backbone interact. energy: -2.198 local terms energy: -234.669088 where: bonds (distance) C4'-P energy: -58.457 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -67.980 flat angles P-C4'-P energy: -20.000 tors. eta vs tors. theta energy: -13.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -305.574444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.574444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.574444 (E_RNA) where: Base-Base interactions energy: -117.092 where: short stacking energy: -96.903 Base-Backbone interact. energy: -0.653 local terms energy: -187.829218 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -55.008 flat angles C4'-P-C4' energy: -49.808 flat angles P-C4'-P energy: -29.024 tors. eta vs tors. theta energy: 5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -303.131512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.131512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.131512 (E_RNA) where: Base-Base interactions energy: -85.222 where: short stacking energy: -70.256 Base-Backbone interact. energy: -1.721 local terms energy: -216.188601 where: bonds (distance) C4'-P energy: -78.667 bonds (distance) P-C4' energy: -70.897 flat angles C4'-P-C4' energy: -45.671 flat angles P-C4'-P energy: -31.633 tors. eta vs tors. theta energy: 10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1182.787702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.787702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.787702 (E_RNA) where: Base-Base interactions energy: -815.615 where: short stacking energy: -332.643 Base-Backbone interact. energy: 0.224 local terms energy: -367.396714 where: bonds (distance) C4'-P energy: -74.353 bonds (distance) P-C4' energy: -80.343 flat angles C4'-P-C4' energy: -75.659 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -91.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1083.716850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.716850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.716850 (E_RNA) where: Base-Base interactions energy: -700.219 where: short stacking energy: -317.468 Base-Backbone interact. energy: 2.508 local terms energy: -386.005968 where: bonds (distance) C4'-P energy: -77.631 bonds (distance) P-C4' energy: -75.513 flat angles C4'-P-C4' energy: -90.174 flat angles P-C4'-P energy: -49.427 tors. eta vs tors. theta energy: -93.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1094.597912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.597912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.597912 (E_RNA) where: Base-Base interactions energy: -733.020 where: short stacking energy: -309.978 Base-Backbone interact. energy: 0.193 local terms energy: -361.771306 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -66.013 flat angles C4'-P-C4' energy: -78.927 flat angles P-C4'-P energy: -53.320 tors. eta vs tors. theta energy: -96.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1003.477076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.477076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.477076 (E_RNA) where: Base-Base interactions energy: -647.308 where: short stacking energy: -301.719 Base-Backbone interact. energy: 0.883 local terms energy: -357.051302 where: bonds (distance) C4'-P energy: -60.122 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -78.443 flat angles P-C4'-P energy: -50.092 tors. eta vs tors. theta energy: -98.868 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: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -928.716452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.716452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.716452 (E_RNA) where: Base-Base interactions energy: -607.891 where: short stacking energy: -272.025 Base-Backbone interact. energy: -1.732 local terms energy: -319.093685 where: bonds (distance) C4'-P energy: -68.687 bonds (distance) P-C4' energy: -48.837 flat angles C4'-P-C4' energy: -70.026 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -78.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -700.825575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.825575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.825575 (E_RNA) where: Base-Base interactions energy: -432.398 where: short stacking energy: -168.497 Base-Backbone interact. energy: -0.831 local terms energy: -267.596813 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -72.115 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -28.385 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: 57 Temperature: 1.200000 Total energy: -550.173302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.173302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.173302 (E_RNA) where: Base-Base interactions energy: -305.752 where: short stacking energy: -151.292 Base-Backbone interact. energy: -1.778 local terms energy: -242.643587 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -56.228 flat angles P-C4'-P energy: -42.373 tors. eta vs tors. theta energy: -19.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -495.038603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.038603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.038603 (E_RNA) where: Base-Base interactions energy: -258.997 where: short stacking energy: -112.890 Base-Backbone interact. energy: 3.057 local terms energy: -239.098904 where: bonds (distance) C4'-P energy: -64.473 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -63.110 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: -9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -329.086956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.086956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.086956 (E_RNA) where: Base-Base interactions energy: -105.976 where: short stacking energy: -91.453 Base-Backbone interact. energy: -1.859 local terms energy: -221.251086 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -59.422 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: 4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -325.338866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.338866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.338866 (E_RNA) where: Base-Base interactions energy: -133.311 where: short stacking energy: -80.129 Base-Backbone interact. energy: 3.828 local terms energy: -195.856322 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -48.580 flat angles P-C4'-P energy: -36.928 tors. eta vs tors. theta energy: 10.137 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1169.153330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.153330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.153330 (E_RNA) where: Base-Base interactions energy: -795.079 where: short stacking energy: -329.115 Base-Backbone interact. energy: -0.224 local terms energy: -373.851294 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -56.370 tors. eta vs tors. theta energy: -97.414 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: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1093.824335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.824335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.824335 (E_RNA) where: Base-Base interactions energy: -712.955 where: short stacking energy: -322.089 Base-Backbone interact. energy: -0.908 local terms energy: -379.961736 where: bonds (distance) C4'-P energy: -64.227 bonds (distance) P-C4' energy: -81.545 flat angles C4'-P-C4' energy: -83.841 flat angles P-C4'-P energy: -50.858 tors. eta vs tors. theta energy: -99.490 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1081.617037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.617037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.617037 (E_RNA) where: Base-Base interactions energy: -724.878 where: short stacking energy: -309.816 Base-Backbone interact. energy: -2.850 local terms energy: -353.889073 where: bonds (distance) C4'-P energy: -74.185 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -73.610 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -93.595 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: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1004.926164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.926164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.926164 (E_RNA) where: Base-Base interactions energy: -661.217 where: short stacking energy: -298.258 Base-Backbone interact. energy: 0.402 local terms energy: -344.110667 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -69.667 flat angles C4'-P-C4' energy: -71.761 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -89.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -931.575606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.575606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.575606 (E_RNA) where: Base-Base interactions energy: -614.315 where: short stacking energy: -282.170 Base-Backbone interact. energy: 7.661 local terms energy: -324.921540 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -60.728 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -80.703 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: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -718.484020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.484020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.484020 (E_RNA) where: Base-Base interactions energy: -437.797 where: short stacking energy: -205.883 Base-Backbone interact. energy: -0.661 local terms energy: -280.025505 where: bonds (distance) C4'-P energy: -61.695 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -74.176 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -37.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -597.042187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.042187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.042187 (E_RNA) where: Base-Base interactions energy: -329.296 where: short stacking energy: -158.212 Base-Backbone interact. energy: -0.682 local terms energy: -267.064688 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -69.001 flat angles C4'-P-C4' energy: -57.156 flat angles P-C4'-P energy: -35.501 tors. eta vs tors. theta energy: -34.805 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: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -526.576620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.576620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.576620 (E_RNA) where: Base-Base interactions energy: -272.039 where: short stacking energy: -142.130 Base-Backbone interact. energy: -3.993 local terms energy: -250.544130 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -24.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -360.649947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.649947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.649947 (E_RNA) where: Base-Base interactions energy: -187.346 where: short stacking energy: -121.646 Base-Backbone interact. energy: -0.023 local terms energy: -173.281291 where: bonds (distance) C4'-P energy: -54.896 bonds (distance) P-C4' energy: -48.348 flat angles C4'-P-C4' energy: -49.135 flat angles P-C4'-P energy: -25.660 tors. eta vs tors. theta energy: 4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -292.714713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.714713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.714713 (E_RNA) where: Base-Base interactions energy: -97.814 where: short stacking energy: -57.475 Base-Backbone interact. energy: -2.129 local terms energy: -192.772520 where: bonds (distance) C4'-P energy: -65.513 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -49.206 flat angles P-C4'-P energy: -34.603 tors. eta vs tors. theta energy: 14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1188.501800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.501800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.501800 (E_RNA) where: Base-Base interactions energy: -819.951 where: short stacking energy: -319.840 Base-Backbone interact. energy: -0.933 local terms energy: -367.617500 where: bonds (distance) C4'-P energy: -66.382 bonds (distance) P-C4' energy: -79.001 flat angles C4'-P-C4' energy: -78.829 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -96.002 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: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1108.953777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.953777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.953777 (E_RNA) where: Base-Base interactions energy: -736.782 where: short stacking energy: -350.685 Base-Backbone interact. energy: -4.152 local terms energy: -368.019559 where: bonds (distance) C4'-P energy: -70.027 bonds (distance) P-C4' energy: -65.835 flat angles C4'-P-C4' energy: -76.747 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -101.393 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: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1047.075629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.075629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.075629 (E_RNA) where: Base-Base interactions energy: -701.738 where: short stacking energy: -306.969 Base-Backbone interact. energy: -1.067 local terms energy: -344.270858 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -83.158 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -82.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1011.180930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.180930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.180930 (E_RNA) where: Base-Base interactions energy: -647.033 where: short stacking energy: -296.983 Base-Backbone interact. energy: 0.233 local terms energy: -364.381684 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -79.928 flat angles C4'-P-C4' energy: -83.427 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: -87.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -979.802919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.802919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.802919 (E_RNA) where: Base-Base interactions energy: -661.416 where: short stacking energy: -284.054 Base-Backbone interact. energy: -0.931 local terms energy: -317.455853 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -67.716 flat angles P-C4'-P energy: -46.760 tors. eta vs tors. theta energy: -80.636 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: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -673.747100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.747100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.747100 (E_RNA) where: Base-Base interactions energy: -403.181 where: short stacking energy: -206.098 Base-Backbone interact. energy: -0.791 local terms energy: -269.774751 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -41.997 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: 59 Temperature: 1.200000 Total energy: -571.145855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.145855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.145855 (E_RNA) where: Base-Base interactions energy: -328.994 where: short stacking energy: -156.193 Base-Backbone interact. energy: -1.866 local terms energy: -240.285723 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -59.882 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: -24.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -512.101253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.101253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.101253 (E_RNA) where: Base-Base interactions energy: -269.208 where: short stacking energy: -153.801 Base-Backbone interact. energy: -0.652 local terms energy: -242.241431 where: bonds (distance) C4'-P energy: -56.198 bonds (distance) P-C4' energy: -71.750 flat angles C4'-P-C4' energy: -65.246 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -11.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -366.495478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.495478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.495478 (E_RNA) where: Base-Base interactions energy: -157.534 where: short stacking energy: -103.820 Base-Backbone interact. energy: 2.721 local terms energy: -211.682777 where: bonds (distance) C4'-P energy: -66.581 bonds (distance) P-C4' energy: -56.330 flat angles C4'-P-C4' energy: -53.335 flat angles P-C4'-P energy: -35.676 tors. eta vs tors. theta energy: 0.240 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: 59 Temperature: 1.350000 Total energy: -315.336989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.336989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.336989 (E_RNA) where: Base-Base interactions energy: -92.574 where: short stacking energy: -69.106 Base-Backbone interact. energy: -2.285 local terms energy: -220.477402 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -80.505 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -35.721 tors. eta vs tors. theta energy: 11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1197.671025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.671025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.671025 (E_RNA) where: Base-Base interactions energy: -828.673 where: short stacking energy: -340.038 Base-Backbone interact. energy: -0.108 local terms energy: -368.889962 where: bonds (distance) C4'-P energy: -75.054 bonds (distance) P-C4' energy: -70.358 flat angles C4'-P-C4' energy: -74.103 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -97.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1093.321183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.321183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.321183 (E_RNA) where: Base-Base interactions energy: -734.978 where: short stacking energy: -334.058 Base-Backbone interact. energy: -2.018 local terms energy: -356.325192 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -72.073 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -94.920 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: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1074.168802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.168802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.168802 (E_RNA) where: Base-Base interactions energy: -741.290 where: short stacking energy: -315.339 Base-Backbone interact. energy: -0.805 local terms energy: -332.073424 where: bonds (distance) C4'-P energy: -56.691 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -66.927 flat angles P-C4'-P energy: -56.255 tors. eta vs tors. theta energy: -87.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1001.885114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.885114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.885114 (E_RNA) where: Base-Base interactions energy: -661.551 where: short stacking energy: -293.437 Base-Backbone interact. energy: -0.838 local terms energy: -339.496182 where: bonds (distance) C4'-P energy: -68.321 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -79.856 flat angles P-C4'-P energy: -39.905 tors. eta vs tors. theta energy: -87.415 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: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -950.185937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.185937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.185937 (E_RNA) where: Base-Base interactions energy: -624.416 where: short stacking energy: -262.153 Base-Backbone interact. energy: -1.497 local terms energy: -324.273021 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -72.804 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -65.144 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: 60 Temperature: 1.150000 Total energy: -686.729018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.729018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.729018 (E_RNA) where: Base-Base interactions energy: -408.846 where: short stacking energy: -193.229 Base-Backbone interact. energy: 0.872 local terms energy: -278.755785 where: bonds (distance) C4'-P energy: -58.123 bonds (distance) P-C4' energy: -75.473 flat angles C4'-P-C4' energy: -63.454 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -36.083 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: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -529.947910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.947910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.947910 (E_RNA) where: Base-Base interactions energy: -267.595 where: short stacking energy: -149.791 Base-Backbone interact. energy: 0.603 local terms energy: -262.955814 where: bonds (distance) C4'-P energy: -57.419 bonds (distance) P-C4' energy: -70.382 flat angles C4'-P-C4' energy: -71.651 flat angles P-C4'-P energy: -40.015 tors. eta vs tors. theta energy: -23.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -563.125494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.125494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.125494 (E_RNA) where: Base-Base interactions energy: -301.093 where: short stacking energy: -156.085 Base-Backbone interact. energy: 4.169 local terms energy: -266.201911 where: bonds (distance) C4'-P energy: -67.809 bonds (distance) P-C4' energy: -66.951 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -34.856 tors. eta vs tors. theta energy: -31.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -392.523367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.523367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.523367 (E_RNA) where: Base-Base interactions energy: -163.990 where: short stacking energy: -94.427 Base-Backbone interact. energy: -0.650 local terms energy: -227.882714 where: bonds (distance) C4'-P energy: -66.572 bonds (distance) P-C4' energy: -71.265 flat angles C4'-P-C4' energy: -54.162 flat angles P-C4'-P energy: -24.334 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -291.423707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.423707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.423707 (E_RNA) where: Base-Base interactions energy: -97.199 where: short stacking energy: -81.059 Base-Backbone interact. energy: -1.261 local terms energy: -192.962930 where: bonds (distance) C4'-P energy: -54.127 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -54.845 flat angles P-C4'-P energy: -26.601 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1193.736223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.736223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.736223 (E_RNA) where: Base-Base interactions energy: -826.341 where: short stacking energy: -338.514 Base-Backbone interact. energy: -1.248 local terms energy: -366.147062 where: bonds (distance) C4'-P energy: -74.602 bonds (distance) P-C4' energy: -71.457 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -95.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1112.431179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.431179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.431179 (E_RNA) where: Base-Base interactions energy: -731.665 where: short stacking energy: -346.263 Base-Backbone interact. energy: -1.250 local terms energy: -379.516264 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -69.033 flat angles C4'-P-C4' energy: -84.900 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -110.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1073.745133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.745133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.745133 (E_RNA) where: Base-Base interactions energy: -725.764 where: short stacking energy: -298.041 Base-Backbone interact. energy: 0.455 local terms energy: -348.436131 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -74.592 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -79.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1012.655953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.655953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.655953 (E_RNA) where: Base-Base interactions energy: -673.685 where: short stacking energy: -310.197 Base-Backbone interact. energy: -0.475 local terms energy: -338.496047 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -72.099 flat angles C4'-P-C4' energy: -71.842 flat angles P-C4'-P energy: -53.172 tors. eta vs tors. theta energy: -81.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -909.733169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.733169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.733169 (E_RNA) where: Base-Base interactions energy: -588.138 where: short stacking energy: -270.046 Base-Backbone interact. energy: -1.341 local terms energy: -320.254888 where: bonds (distance) C4'-P energy: -62.058 bonds (distance) P-C4' energy: -66.858 flat angles C4'-P-C4' energy: -75.925 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -74.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -686.274901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.274901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.274901 (E_RNA) where: Base-Base interactions energy: -405.137 where: short stacking energy: -178.887 Base-Backbone interact. energy: -1.568 local terms energy: -279.570728 where: bonds (distance) C4'-P energy: -71.662 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -70.229 flat angles P-C4'-P energy: -35.637 tors. eta vs tors. theta energy: -33.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -633.528190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.528190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.528190 (E_RNA) where: Base-Base interactions energy: -363.476 where: short stacking energy: -168.733 Base-Backbone interact. energy: -1.267 local terms energy: -268.785324 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -63.672 flat angles P-C4'-P energy: -36.130 tors. eta vs tors. theta energy: -32.405 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: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -544.526618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.526618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.526618 (E_RNA) where: Base-Base interactions energy: -290.369 where: short stacking energy: -165.178 Base-Backbone interact. energy: 0.582 local terms energy: -254.739434 where: bonds (distance) C4'-P energy: -63.219 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -61.266 flat angles P-C4'-P energy: -33.702 tors. eta vs tors. theta energy: -29.585 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: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -404.082441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.082441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.082441 (E_RNA) where: Base-Base interactions energy: -182.561 where: short stacking energy: -127.712 Base-Backbone interact. energy: -0.221 local terms energy: -221.299708 where: bonds (distance) C4'-P energy: -55.775 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -311.527960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.527960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.527960 (E_RNA) where: Base-Base interactions energy: -121.420 where: short stacking energy: -78.377 Base-Backbone interact. energy: 0.725 local terms energy: -190.832750 where: bonds (distance) C4'-P energy: -67.750 bonds (distance) P-C4' energy: -63.136 flat angles C4'-P-C4' energy: -47.203 flat angles P-C4'-P energy: -35.144 tors. eta vs tors. theta energy: 22.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1205.011885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.011885 (E_RNA) where: Base-Base interactions energy: -850.206 where: short stacking energy: -349.049 Base-Backbone interact. energy: -0.175 local terms energy: -354.630420 where: bonds (distance) C4'-P energy: -72.249 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -91.500 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: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1122.542523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.542523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.542523 (E_RNA) where: Base-Base interactions energy: -743.558 where: short stacking energy: -340.121 Base-Backbone interact. energy: -1.517 local terms energy: -377.467606 where: bonds (distance) C4'-P energy: -76.555 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -103.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1064.796026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.796026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.796026 (E_RNA) where: Base-Base interactions energy: -713.415 where: short stacking energy: -320.095 Base-Backbone interact. energy: -1.398 local terms energy: -349.982266 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -70.580 flat angles C4'-P-C4' energy: -76.389 flat angles P-C4'-P energy: -40.615 tors. eta vs tors. theta energy: -92.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1055.866599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.866599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.866599 (E_RNA) where: Base-Base interactions energy: -713.463 where: short stacking energy: -317.268 Base-Backbone interact. energy: -1.611 local terms energy: -340.792983 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -70.189 flat angles C4'-P-C4' energy: -74.382 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: -86.481 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -913.223299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.223299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.223299 (E_RNA) where: Base-Base interactions energy: -579.960 where: short stacking energy: -270.274 Base-Backbone interact. energy: 0.943 local terms energy: -334.207095 where: bonds (distance) C4'-P energy: -71.225 bonds (distance) P-C4' energy: -68.270 flat angles C4'-P-C4' energy: -63.426 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -70.457 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -696.729398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.729398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.729398 (E_RNA) where: Base-Base interactions energy: -413.300 where: short stacking energy: -181.988 Base-Backbone interact. energy: -1.816 local terms energy: -281.613646 where: bonds (distance) C4'-P energy: -69.766 bonds (distance) P-C4' energy: -73.713 flat angles C4'-P-C4' energy: -70.732 flat angles P-C4'-P energy: -33.532 tors. eta vs tors. theta energy: -33.872 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: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -636.922858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.922858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.922858 (E_RNA) where: Base-Base interactions energy: -364.482 where: short stacking energy: -186.227 Base-Backbone interact. energy: -1.081 local terms energy: -271.360607 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -66.363 flat angles C4'-P-C4' energy: -55.794 flat angles P-C4'-P energy: -48.266 tors. eta vs tors. theta energy: -37.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -556.469769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.469769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.469769 (E_RNA) where: Base-Base interactions energy: -303.391 where: short stacking energy: -149.486 Base-Backbone interact. energy: 2.607 local terms energy: -255.685392 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -66.307 flat angles C4'-P-C4' energy: -74.801 flat angles P-C4'-P energy: -41.224 tors. eta vs tors. theta energy: -24.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -329.165819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.165819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.165819 (E_RNA) where: Base-Base interactions energy: -105.576 where: short stacking energy: -77.278 Base-Backbone interact. energy: -2.058 local terms energy: -221.531753 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -79.909 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: 13.361 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: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -371.119014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.119014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.119014 (E_RNA) where: Base-Base interactions energy: -171.821 where: short stacking energy: -103.633 Base-Backbone interact. energy: 0.888 local terms energy: -200.185635 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -64.885 flat angles P-C4'-P energy: -27.830 tors. eta vs tors. theta energy: 1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1191.957108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.957108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.957108 (E_RNA) where: Base-Base interactions energy: -823.198 where: short stacking energy: -344.260 Base-Backbone interact. energy: -0.639 local terms energy: -368.120289 where: bonds (distance) C4'-P energy: -70.356 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -76.662 flat angles P-C4'-P energy: -49.479 tors. eta vs tors. theta energy: -98.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1098.614702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.614702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.614702 (E_RNA) where: Base-Base interactions energy: -733.874 where: short stacking energy: -328.561 Base-Backbone interact. energy: -0.818 local terms energy: -363.922510 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -77.670 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -96.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1043.589176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.589176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.589176 (E_RNA) where: Base-Base interactions energy: -684.633 where: short stacking energy: -319.155 Base-Backbone interact. energy: 0.398 local terms energy: -359.354268 where: bonds (distance) C4'-P energy: -66.071 bonds (distance) P-C4' energy: -71.750 flat angles C4'-P-C4' energy: -77.598 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: -94.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1028.176111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.176111 (E_RNA) where: Base-Base interactions energy: -687.465 where: short stacking energy: -286.445 Base-Backbone interact. energy: -0.647 local terms energy: -340.064093 where: bonds (distance) C4'-P energy: -66.755 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -68.305 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -80.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -877.506946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.506946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.506946 (E_RNA) where: Base-Base interactions energy: -585.385 where: short stacking energy: -258.540 Base-Backbone interact. energy: -1.885 local terms energy: -290.236115 where: bonds (distance) C4'-P energy: -52.329 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -44.521 tors. eta vs tors. theta energy: -73.024 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: 63 Temperature: 1.150000 Total energy: -671.655755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.655755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.655755 (E_RNA) where: Base-Base interactions energy: -394.350 where: short stacking energy: -184.952 Base-Backbone interact. energy: -0.925 local terms energy: -276.380920 where: bonds (distance) C4'-P energy: -61.042 bonds (distance) P-C4' energy: -64.425 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -40.660 tors. eta vs tors. theta energy: -44.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -643.470330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.470330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.470330 (E_RNA) where: Base-Base interactions energy: -403.470 where: short stacking energy: -183.717 Base-Backbone interact. energy: 7.212 local terms energy: -247.211869 where: bonds (distance) C4'-P energy: -61.629 bonds (distance) P-C4' energy: -58.675 flat angles C4'-P-C4' energy: -56.835 flat angles P-C4'-P energy: -41.805 tors. eta vs tors. theta energy: -28.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -533.019536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.019536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.019536 (E_RNA) where: Base-Base interactions energy: -280.082 where: short stacking energy: -138.227 Base-Backbone interact. energy: -2.672 local terms energy: -250.265841 where: bonds (distance) C4'-P energy: -65.725 bonds (distance) P-C4' energy: -74.587 flat angles C4'-P-C4' energy: -62.404 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -345.859759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.859759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.859759 (E_RNA) where: Base-Base interactions energy: -143.813 where: short stacking energy: -90.680 Base-Backbone interact. energy: 2.208 local terms energy: -204.254607 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -58.802 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -27.402 tors. eta vs tors. theta energy: 8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -394.538726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.538726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.538726 (E_RNA) where: Base-Base interactions energy: -179.854 where: short stacking energy: -94.087 Base-Backbone interact. energy: -2.189 local terms energy: -212.495712 where: bonds (distance) C4'-P energy: -63.464 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -55.415 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: 11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1195.612427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.612427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.612427 (E_RNA) where: Base-Base interactions energy: -814.475 where: short stacking energy: -335.414 Base-Backbone interact. energy: -0.124 local terms energy: -381.013120 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -55.108 tors. eta vs tors. theta energy: -100.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1120.440973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.440973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.440973 (E_RNA) where: Base-Base interactions energy: -742.062 where: short stacking energy: -348.535 Base-Backbone interact. energy: 0.625 local terms energy: -379.003484 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -77.866 flat angles C4'-P-C4' energy: -76.893 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -102.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1063.333390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.333390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.333390 (E_RNA) where: Base-Base interactions energy: -691.418 where: short stacking energy: -320.402 Base-Backbone interact. energy: -0.662 local terms energy: -371.253392 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -71.522 flat angles C4'-P-C4' energy: -85.445 flat angles P-C4'-P energy: -55.449 tors. eta vs tors. theta energy: -90.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1045.186220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.186220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.186220 (E_RNA) where: Base-Base interactions energy: -706.420 where: short stacking energy: -299.471 Base-Backbone interact. energy: 0.529 local terms energy: -339.294421 where: bonds (distance) C4'-P energy: -61.660 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -54.639 tors. eta vs tors. theta energy: -84.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -930.287444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.287444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.287444 (E_RNA) where: Base-Base interactions energy: -606.344 where: short stacking energy: -270.302 Base-Backbone interact. energy: 0.519 local terms energy: -324.462789 where: bonds (distance) C4'-P energy: -70.720 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -38.989 tors. eta vs tors. theta energy: -75.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -703.654790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.654790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.654790 (E_RNA) where: Base-Base interactions energy: -430.079 where: short stacking energy: -189.488 Base-Backbone interact. energy: -1.493 local terms energy: -272.083457 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -60.734 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -38.175 tors. eta vs tors. theta energy: -47.126 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: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -656.220687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.220687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.220687 (E_RNA) where: Base-Base interactions energy: -395.771 where: short stacking energy: -179.868 Base-Backbone interact. energy: -1.923 local terms energy: -258.526407 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -66.666 flat angles C4'-P-C4' energy: -64.881 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: -38.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -660.081549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.081549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.081549 (E_RNA) where: Base-Base interactions energy: -382.188 where: short stacking energy: -184.558 Base-Backbone interact. energy: -1.053 local terms energy: -276.840462 where: bonds (distance) C4'-P energy: -62.827 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -70.159 flat angles P-C4'-P energy: -37.010 tors. eta vs tors. theta energy: -38.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -404.181822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.181822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.181822 (E_RNA) where: Base-Base interactions energy: -219.192 where: short stacking energy: -127.199 Base-Backbone interact. energy: 0.742 local terms energy: -185.732214 where: bonds (distance) C4'-P energy: -46.945 bonds (distance) P-C4' energy: -51.484 flat angles C4'-P-C4' energy: -45.145 flat angles P-C4'-P energy: -28.761 tors. eta vs tors. theta energy: -13.398 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: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -290.651116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.651116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.651116 (E_RNA) where: Base-Base interactions energy: -89.376 where: short stacking energy: -64.853 Base-Backbone interact. energy: -1.387 local terms energy: -199.887941 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -56.980 flat angles P-C4'-P energy: -23.469 tors. eta vs tors. theta energy: 11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1184.704442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.704442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.704442 (E_RNA) where: Base-Base interactions energy: -814.235 where: short stacking energy: -345.823 Base-Backbone interact. energy: -1.025 local terms energy: -369.444418 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -74.524 flat angles C4'-P-C4' energy: -79.318 flat angles P-C4'-P energy: -48.050 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: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1096.371809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.371809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.371809 (E_RNA) where: Base-Base interactions energy: -712.713 where: short stacking energy: -335.081 Base-Backbone interact. energy: -0.634 local terms energy: -383.025287 where: bonds (distance) C4'-P energy: -64.863 bonds (distance) P-C4' energy: -67.670 flat angles C4'-P-C4' energy: -83.027 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -107.332 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: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1058.835693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.835693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.835693 (E_RNA) where: Base-Base interactions energy: -708.179 where: short stacking energy: -304.063 Base-Backbone interact. energy: -0.758 local terms energy: -349.897954 where: bonds (distance) C4'-P energy: -66.094 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -96.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1000.776483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.776483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.776483 (E_RNA) where: Base-Base interactions energy: -657.031 where: short stacking energy: -286.474 Base-Backbone interact. energy: -1.655 local terms energy: -342.089864 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -81.169 flat angles P-C4'-P energy: -45.652 tors. eta vs tors. theta energy: -81.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -945.480225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.480225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.480225 (E_RNA) where: Base-Base interactions energy: -626.746 where: short stacking energy: -280.390 Base-Backbone interact. energy: 3.870 local terms energy: -322.604229 where: bonds (distance) C4'-P energy: -55.609 bonds (distance) P-C4' energy: -53.501 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -86.073 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: 65 Temperature: 1.150000 Total energy: -705.857987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.857987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.857987 (E_RNA) where: Base-Base interactions energy: -431.152 where: short stacking energy: -212.148 Base-Backbone interact. energy: 0.356 local terms energy: -275.062109 where: bonds (distance) C4'-P energy: -60.915 bonds (distance) P-C4' energy: -56.242 flat angles C4'-P-C4' energy: -60.025 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -44.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -697.757021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.757021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.757021 (E_RNA) where: Base-Base interactions energy: -418.585 where: short stacking energy: -201.600 Base-Backbone interact. energy: -1.024 local terms energy: -278.147762 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -64.639 flat angles C4'-P-C4' energy: -67.428 flat angles P-C4'-P energy: -39.187 tors. eta vs tors. theta energy: -36.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -609.506377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.506377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.506377 (E_RNA) where: Base-Base interactions energy: -346.239 where: short stacking energy: -172.568 Base-Backbone interact. energy: 0.224 local terms energy: -263.490863 where: bonds (distance) C4'-P energy: -53.291 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -66.223 flat angles P-C4'-P energy: -32.531 tors. eta vs tors. theta energy: -42.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -391.148027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.148027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.148027 (E_RNA) where: Base-Base interactions energy: -171.100 where: short stacking energy: -115.290 Base-Backbone interact. energy: -1.354 local terms energy: -218.693887 where: bonds (distance) C4'-P energy: -58.986 bonds (distance) P-C4' energy: -62.380 flat angles C4'-P-C4' energy: -55.853 flat angles P-C4'-P energy: -35.953 tors. eta vs tors. theta energy: -5.522 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: 65 Temperature: 1.350000 Total energy: -295.051250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.051250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.051250 (E_RNA) where: Base-Base interactions energy: -104.704 where: short stacking energy: -80.318 Base-Backbone interact. energy: 6.894 local terms energy: -197.240647 where: bonds (distance) C4'-P energy: -63.140 bonds (distance) P-C4' energy: -72.192 flat angles C4'-P-C4' energy: -54.291 flat angles P-C4'-P energy: -23.897 tors. eta vs tors. theta energy: 16.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1161.051662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.051662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.051662 (E_RNA) where: Base-Base interactions energy: -804.830 where: short stacking energy: -330.944 Base-Backbone interact. energy: -1.295 local terms energy: -354.926677 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -95.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1087.675688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.675688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.675688 (E_RNA) where: Base-Base interactions energy: -709.418 where: short stacking energy: -311.220 Base-Backbone interact. energy: 1.564 local terms energy: -379.821716 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -78.520 flat angles C4'-P-C4' energy: -74.634 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -98.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1057.258327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.258327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.258327 (E_RNA) where: Base-Base interactions energy: -675.676 where: short stacking energy: -312.220 Base-Backbone interact. energy: -4.397 local terms energy: -377.185794 where: bonds (distance) C4'-P energy: -77.758 bonds (distance) P-C4' energy: -70.617 flat angles C4'-P-C4' energy: -83.464 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -103.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1003.097346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.097346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.097346 (E_RNA) where: Base-Base interactions energy: -675.612 where: short stacking energy: -290.499 Base-Backbone interact. energy: -2.165 local terms energy: -325.319965 where: bonds (distance) C4'-P energy: -69.075 bonds (distance) P-C4' energy: -62.918 flat angles C4'-P-C4' energy: -75.777 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: -77.478 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: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -979.378752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.378752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.378752 (E_RNA) where: Base-Base interactions energy: -650.215 where: short stacking energy: -292.454 Base-Backbone interact. energy: -1.121 local terms energy: -328.042111 where: bonds (distance) C4'-P energy: -58.777 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -73.086 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: -88.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -716.910948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.910948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.910948 (E_RNA) where: Base-Base interactions energy: -441.994 where: short stacking energy: -191.254 Base-Backbone interact. energy: -1.864 local terms energy: -273.052938 where: bonds (distance) C4'-P energy: -65.976 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -69.850 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -28.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -694.136887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.136887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.136887 (E_RNA) where: Base-Base interactions energy: -411.518 where: short stacking energy: -187.667 Base-Backbone interact. energy: -1.564 local terms energy: -281.054989 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -65.848 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -37.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -614.342815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.342815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.342815 (E_RNA) where: Base-Base interactions energy: -355.545 where: short stacking energy: -166.629 Base-Backbone interact. energy: -2.422 local terms energy: -256.375528 where: bonds (distance) C4'-P energy: -73.960 bonds (distance) P-C4' energy: -52.693 flat angles C4'-P-C4' energy: -61.911 flat angles P-C4'-P energy: -35.261 tors. eta vs tors. theta energy: -32.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -349.395559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.395559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.395559 (E_RNA) where: Base-Base interactions energy: -151.747 where: short stacking energy: -101.670 Base-Backbone interact. energy: -1.031 local terms energy: -196.618226 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -348.816100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.816100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.816100 (E_RNA) where: Base-Base interactions energy: -152.031 where: short stacking energy: -96.970 Base-Backbone interact. energy: -2.752 local terms energy: -194.033139 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -55.671 flat angles C4'-P-C4' energy: -55.598 flat angles P-C4'-P energy: -23.844 tors. eta vs tors. theta energy: -2.111 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: 67 Temperature: 0.900000 Total energy: -1165.179263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.179263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.179263 (E_RNA) where: Base-Base interactions energy: -799.390 where: short stacking energy: -338.864 Base-Backbone interact. energy: -0.872 local terms energy: -364.917303 where: bonds (distance) C4'-P energy: -70.651 bonds (distance) P-C4' energy: -71.239 flat angles C4'-P-C4' energy: -77.331 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1103.049557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.049557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.049557 (E_RNA) where: Base-Base interactions energy: -716.928 where: short stacking energy: -316.520 Base-Backbone interact. energy: -2.261 local terms energy: -383.860302 where: bonds (distance) C4'-P energy: -74.447 bonds (distance) P-C4' energy: -79.991 flat angles C4'-P-C4' energy: -80.432 flat angles P-C4'-P energy: -46.082 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: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1077.117560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.117560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.117560 (E_RNA) where: Base-Base interactions energy: -701.937 where: short stacking energy: -329.994 Base-Backbone interact. energy: -1.424 local terms energy: -373.756958 where: bonds (distance) C4'-P energy: -76.371 bonds (distance) P-C4' energy: -60.856 flat angles C4'-P-C4' energy: -78.838 flat angles P-C4'-P energy: -48.333 tors. eta vs tors. theta energy: -109.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -999.311945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.311945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.311945 (E_RNA) where: Base-Base interactions energy: -660.226 where: short stacking energy: -270.217 Base-Backbone interact. energy: -0.276 local terms energy: -338.810104 where: bonds (distance) C4'-P energy: -65.773 bonds (distance) P-C4' energy: -73.769 flat angles C4'-P-C4' energy: -65.487 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -72.826 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -980.573696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.573696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.573696 (E_RNA) where: Base-Base interactions energy: -657.948 where: short stacking energy: -283.824 Base-Backbone interact. energy: -1.306 local terms energy: -321.319619 where: bonds (distance) C4'-P energy: -59.426 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -70.124 flat angles P-C4'-P energy: -45.860 tors. eta vs tors. theta energy: -77.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -705.212120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.212120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.212120 (E_RNA) where: Base-Base interactions energy: -442.399 where: short stacking energy: -226.506 Base-Backbone interact. energy: 0.929 local terms energy: -263.742144 where: bonds (distance) C4'-P energy: -43.683 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -43.807 tors. eta vs tors. theta energy: -45.456 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -643.162002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.162002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.162002 (E_RNA) where: Base-Base interactions energy: -384.876 where: short stacking energy: -170.346 Base-Backbone interact. energy: -1.707 local terms energy: -256.578388 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -60.035 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -47.892 tors. eta vs tors. theta energy: -21.351 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: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -637.442697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.442697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.442697 (E_RNA) where: Base-Base interactions energy: -382.740 where: short stacking energy: -187.050 Base-Backbone interact. energy: 6.382 local terms energy: -261.083968 where: bonds (distance) C4'-P energy: -57.099 bonds (distance) P-C4' energy: -72.362 flat angles C4'-P-C4' energy: -57.998 flat angles P-C4'-P energy: -38.237 tors. eta vs tors. theta energy: -35.388 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: 67 Temperature: 1.300000 Total energy: -333.118032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.118032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.118032 (E_RNA) where: Base-Base interactions energy: -132.155 where: short stacking energy: -84.743 Base-Backbone interact. energy: -0.326 local terms energy: -200.636830 where: bonds (distance) C4'-P energy: -61.144 bonds (distance) P-C4' energy: -58.799 flat angles C4'-P-C4' energy: -57.772 flat angles P-C4'-P energy: -30.534 tors. eta vs tors. theta energy: 7.612 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: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -352.905042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.905042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.905042 (E_RNA) where: Base-Base interactions energy: -154.243 where: short stacking energy: -90.509 Base-Backbone interact. energy: -1.658 local terms energy: -197.004200 where: bonds (distance) C4'-P energy: -56.213 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -43.500 flat angles P-C4'-P energy: -32.572 tors. eta vs tors. theta energy: -0.569 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: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1182.186784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.186784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.186784 (E_RNA) where: Base-Base interactions energy: -815.029 where: short stacking energy: -338.716 Base-Backbone interact. energy: 1.169 local terms energy: -368.326648 where: bonds (distance) C4'-P energy: -68.878 bonds (distance) P-C4' energy: -70.577 flat angles C4'-P-C4' energy: -85.261 flat angles P-C4'-P energy: -48.134 tors. eta vs tors. theta energy: -95.476 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: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1089.671907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.671907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.671907 (E_RNA) where: Base-Base interactions energy: -710.210 where: short stacking energy: -319.013 Base-Backbone interact. energy: -1.056 local terms energy: -378.405921 where: bonds (distance) C4'-P energy: -67.926 bonds (distance) P-C4' energy: -69.087 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -98.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1103.355402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.355402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.355402 (E_RNA) where: Base-Base interactions energy: -727.212 where: short stacking energy: -330.656 Base-Backbone interact. energy: 1.516 local terms energy: -377.659348 where: bonds (distance) C4'-P energy: -76.016 bonds (distance) P-C4' energy: -73.044 flat angles C4'-P-C4' energy: -76.719 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -103.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1033.264935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.264935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.264935 (E_RNA) where: Base-Base interactions energy: -702.811 where: short stacking energy: -296.325 Base-Backbone interact. energy: -1.923 local terms energy: -328.530684 where: bonds (distance) C4'-P energy: -56.225 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -65.396 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -88.237 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: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -999.835590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.835590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.835590 (E_RNA) where: Base-Base interactions energy: -652.569 where: short stacking energy: -291.994 Base-Backbone interact. energy: -2.150 local terms energy: -345.116523 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -72.411 flat angles C4'-P-C4' energy: -85.190 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -85.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -666.712965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.712965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.712965 (E_RNA) where: Base-Base interactions energy: -391.371 where: short stacking energy: -199.441 Base-Backbone interact. energy: -1.477 local terms energy: -273.865318 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -60.895 flat angles P-C4'-P energy: -39.668 tors. eta vs tors. theta energy: -38.392 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -598.240167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.240167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.240167 (E_RNA) where: Base-Base interactions energy: -359.896 where: short stacking energy: -166.484 Base-Backbone interact. energy: -0.854 local terms energy: -237.490641 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -46.361 flat angles P-C4'-P energy: -38.420 tors. eta vs tors. theta energy: -34.329 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -609.579123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.579123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.579123 (E_RNA) where: Base-Base interactions energy: -366.972 where: short stacking energy: -184.629 Base-Backbone interact. energy: 2.015 local terms energy: -244.622488 where: bonds (distance) C4'-P energy: -57.286 bonds (distance) P-C4' energy: -52.460 flat angles C4'-P-C4' energy: -54.443 flat angles P-C4'-P energy: -41.448 tors. eta vs tors. theta energy: -38.986 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: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -311.154720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.154720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.154720 (E_RNA) where: Base-Base interactions energy: -108.452 where: short stacking energy: -78.839 Base-Backbone interact. energy: 1.952 local terms energy: -204.654949 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -56.403 flat angles C4'-P-C4' energy: -51.498 flat angles P-C4'-P energy: -34.163 tors. eta vs tors. theta energy: 5.349 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: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -325.072935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.072935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.072935 (E_RNA) where: Base-Base interactions energy: -154.031 where: short stacking energy: -94.362 Base-Backbone interact. energy: -0.132 local terms energy: -170.909396 where: bonds (distance) C4'-P energy: -46.617 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -43.899 flat angles P-C4'-P energy: -28.433 tors. eta vs tors. theta energy: 10.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1179.196948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.196948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.196948 (E_RNA) where: Base-Base interactions energy: -811.430 where: short stacking energy: -330.759 Base-Backbone interact. energy: 0.859 local terms energy: -368.625828 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -74.119 flat angles C4'-P-C4' energy: -84.884 flat angles P-C4'-P energy: -39.486 tors. eta vs tors. theta energy: -95.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1111.242126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.242126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.242126 (E_RNA) where: Base-Base interactions energy: -728.977 where: short stacking energy: -331.108 Base-Backbone interact. energy: -0.800 local terms energy: -381.465496 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -68.638 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -101.910 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1050.163147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.163147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.163147 (E_RNA) where: Base-Base interactions energy: -700.835 where: short stacking energy: -305.787 Base-Backbone interact. energy: -0.809 local terms energy: -348.519824 where: bonds (distance) C4'-P energy: -72.404 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -73.965 flat angles P-C4'-P energy: -44.444 tors. eta vs tors. theta energy: -92.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1000.115287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.115287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.115287 (E_RNA) where: Base-Base interactions energy: -657.670 where: short stacking energy: -288.599 Base-Backbone interact. energy: -1.557 local terms energy: -340.888619 where: bonds (distance) C4'-P energy: -61.107 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -50.695 tors. eta vs tors. theta energy: -88.132 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: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1006.965477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.965477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.965477 (E_RNA) where: Base-Base interactions energy: -682.690 where: short stacking energy: -278.283 Base-Backbone interact. energy: 1.987 local terms energy: -326.261931 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -66.273 flat angles C4'-P-C4' energy: -70.388 flat angles P-C4'-P energy: -42.644 tors. eta vs tors. theta energy: -81.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -669.557724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.557724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.557724 (E_RNA) where: Base-Base interactions energy: -371.932 where: short stacking energy: -180.678 Base-Backbone interact. energy: -1.316 local terms energy: -296.309272 where: bonds (distance) C4'-P energy: -76.562 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -36.411 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: 69 Temperature: 1.200000 Total energy: -659.219642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.219642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.219642 (E_RNA) where: Base-Base interactions energy: -377.882 where: short stacking energy: -178.607 Base-Backbone interact. energy: 0.473 local terms energy: -281.810600 where: bonds (distance) C4'-P energy: -69.814 bonds (distance) P-C4' energy: -69.425 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -37.296 tors. eta vs tors. theta energy: -32.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -662.195594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.195594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.195594 (E_RNA) where: Base-Base interactions energy: -395.027 where: short stacking energy: -178.206 Base-Backbone interact. energy: -0.645 local terms energy: -266.524203 where: bonds (distance) C4'-P energy: -66.816 bonds (distance) P-C4' energy: -62.867 flat angles C4'-P-C4' energy: -56.290 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -28.766 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: 69 Temperature: 1.300000 Total energy: -318.337034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.337034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.337034 (E_RNA) where: Base-Base interactions energy: -122.691 where: short stacking energy: -93.892 Base-Backbone interact. energy: 5.363 local terms energy: -201.009018 where: bonds (distance) C4'-P energy: -48.066 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -61.653 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: 1.987 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: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -316.462066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.462066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.462066 (E_RNA) where: Base-Base interactions energy: -134.340 where: short stacking energy: -75.625 Base-Backbone interact. energy: -0.411 local terms energy: -181.711122 where: bonds (distance) C4'-P energy: -44.554 bonds (distance) P-C4' energy: -50.388 flat angles C4'-P-C4' energy: -53.557 flat angles P-C4'-P energy: -38.709 tors. eta vs tors. theta energy: 5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1172.996344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.996344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.996344 (E_RNA) where: Base-Base interactions energy: -807.641 where: short stacking energy: -332.644 Base-Backbone interact. energy: -0.905 local terms energy: -364.450515 where: bonds (distance) C4'-P energy: -70.726 bonds (distance) P-C4' energy: -77.678 flat angles C4'-P-C4' energy: -71.628 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -95.353 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1112.938088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.938088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.938088 (E_RNA) where: Base-Base interactions energy: -739.503 where: short stacking energy: -339.275 Base-Backbone interact. energy: -0.815 local terms energy: -372.619711 where: bonds (distance) C4'-P energy: -72.460 bonds (distance) P-C4' energy: -76.483 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -58.948 tors. eta vs tors. theta energy: -100.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1067.787598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.787598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.787598 (E_RNA) where: Base-Base interactions energy: -673.492 where: short stacking energy: -329.008 Base-Backbone interact. energy: -0.144 local terms energy: -394.151226 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -108.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1031.633416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.633416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.633416 (E_RNA) where: Base-Base interactions energy: -684.297 where: short stacking energy: -288.465 Base-Backbone interact. energy: -0.875 local terms energy: -346.461430 where: bonds (distance) C4'-P energy: -71.709 bonds (distance) P-C4' energy: -70.539 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -89.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -982.701867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.701867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.701867 (E_RNA) where: Base-Base interactions energy: -644.664 where: short stacking energy: -286.626 Base-Backbone interact. energy: -0.890 local terms energy: -337.147816 where: bonds (distance) C4'-P energy: -72.412 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -80.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -656.007722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.007722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.007722 (E_RNA) where: Base-Base interactions energy: -358.035 where: short stacking energy: -198.218 Base-Backbone interact. energy: 0.593 local terms energy: -298.565817 where: bonds (distance) C4'-P energy: -72.441 bonds (distance) P-C4' energy: -63.609 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -33.307 tors. eta vs tors. theta energy: -58.271 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: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -673.556496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.556496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.556496 (E_RNA) where: Base-Base interactions energy: -418.830 where: short stacking energy: -173.090 Base-Backbone interact. energy: -2.759 local terms energy: -251.967153 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -67.971 flat angles P-C4'-P energy: -33.978 tors. eta vs tors. theta energy: -24.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -641.173158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.173158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.173158 (E_RNA) where: Base-Base interactions energy: -373.135 where: short stacking energy: -166.823 Base-Backbone interact. energy: -0.260 local terms energy: -267.778131 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -73.042 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -26.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -364.414516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.414516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.414516 (E_RNA) where: Base-Base interactions energy: -158.861 where: short stacking energy: -114.594 Base-Backbone interact. energy: 1.525 local terms energy: -207.078292 where: bonds (distance) C4'-P energy: -54.124 bonds (distance) P-C4' energy: -68.480 flat angles C4'-P-C4' energy: -62.534 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -9.469 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: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -306.268601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.268601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.268601 (E_RNA) where: Base-Base interactions energy: -129.388 where: short stacking energy: -67.628 Base-Backbone interact. energy: 0.954 local terms energy: -177.834426 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -51.320 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: 11.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1183.889019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.889019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.889019 (E_RNA) where: Base-Base interactions energy: -818.789 where: short stacking energy: -333.997 Base-Backbone interact. energy: 0.519 local terms energy: -365.618809 where: bonds (distance) C4'-P energy: -70.705 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -62.591 tors. eta vs tors. theta energy: -86.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1120.123543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.123543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.123543 (E_RNA) where: Base-Base interactions energy: -731.538 where: short stacking energy: -352.669 Base-Backbone interact. energy: -1.893 local terms energy: -386.692285 where: bonds (distance) C4'-P energy: -68.496 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -79.302 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -107.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1034.324400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.324400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.324400 (E_RNA) where: Base-Base interactions energy: -688.161 where: short stacking energy: -296.837 Base-Backbone interact. energy: -0.743 local terms energy: -345.420214 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -72.552 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: -90.143 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: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1031.752785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.752785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.752785 (E_RNA) where: Base-Base interactions energy: -698.570 where: short stacking energy: -299.790 Base-Backbone interact. energy: -0.301 local terms energy: -332.882325 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -71.858 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -79.298 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: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -984.359799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.359799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.359799 (E_RNA) where: Base-Base interactions energy: -651.710 where: short stacking energy: -300.266 Base-Backbone interact. energy: 1.232 local terms energy: -333.881981 where: bonds (distance) C4'-P energy: -61.912 bonds (distance) P-C4' energy: -67.338 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -81.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -703.741141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.741141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.741141 (E_RNA) where: Base-Base interactions energy: -422.516 where: short stacking energy: -198.361 Base-Backbone interact. energy: -0.804 local terms energy: -280.421413 where: bonds (distance) C4'-P energy: -56.122 bonds (distance) P-C4' energy: -63.766 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -34.742 tors. eta vs tors. theta energy: -47.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -617.402439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.402439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.402439 (E_RNA) where: Base-Base interactions energy: -358.914 where: short stacking energy: -172.398 Base-Backbone interact. energy: -1.739 local terms energy: -256.749031 where: bonds (distance) C4'-P energy: -57.685 bonds (distance) P-C4' energy: -67.088 flat angles C4'-P-C4' energy: -65.667 flat angles P-C4'-P energy: -43.162 tors. eta vs tors. theta energy: -23.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -585.483485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.483485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.483485 (E_RNA) where: Base-Base interactions energy: -324.643 where: short stacking energy: -149.113 Base-Backbone interact. energy: -1.716 local terms energy: -259.124947 where: bonds (distance) C4'-P energy: -63.916 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -65.798 flat angles P-C4'-P energy: -33.306 tors. eta vs tors. theta energy: -24.240 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -365.490709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.490709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.490709 (E_RNA) where: Base-Base interactions energy: -152.232 where: short stacking energy: -97.531 Base-Backbone interact. energy: -1.006 local terms energy: -212.252357 where: bonds (distance) C4'-P energy: -57.713 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -60.580 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: 4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -301.999829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.999829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.999829 (E_RNA) where: Base-Base interactions energy: -103.867 where: short stacking energy: -83.249 Base-Backbone interact. energy: 6.897 local terms energy: -205.029397 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -63.880 flat angles P-C4'-P energy: -29.949 tors. eta vs tors. theta energy: 5.241 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: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1195.608258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.608258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.608258 (E_RNA) where: Base-Base interactions energy: -848.958 where: short stacking energy: -329.079 Base-Backbone interact. energy: 0.745 local terms energy: -347.394934 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -80.859 flat angles P-C4'-P energy: -47.590 tors. eta vs tors. theta energy: -84.692 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: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1105.731659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.731659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.731659 (E_RNA) where: Base-Base interactions energy: -722.980 where: short stacking energy: -354.395 Base-Backbone interact. energy: 0.355 local terms energy: -383.106379 where: bonds (distance) C4'-P energy: -78.373 bonds (distance) P-C4' energy: -73.136 flat angles C4'-P-C4' energy: -77.720 flat angles P-C4'-P energy: -50.094 tors. eta vs tors. theta energy: -103.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1113.920900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.920900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.920900 (E_RNA) where: Base-Base interactions energy: -756.278 where: short stacking energy: -333.409 Base-Backbone interact. energy: -1.673 local terms energy: -355.970379 where: bonds (distance) C4'-P energy: -67.790 bonds (distance) P-C4' energy: -71.517 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -40.415 tors. eta vs tors. theta energy: -94.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1012.010653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.010653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.010653 (E_RNA) where: Base-Base interactions energy: -645.012 where: short stacking energy: -291.591 Base-Backbone interact. energy: -0.920 local terms energy: -366.078863 where: bonds (distance) C4'-P energy: -76.440 bonds (distance) P-C4' energy: -73.414 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -96.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -962.809698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.809698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.809698 (E_RNA) where: Base-Base interactions energy: -639.517 where: short stacking energy: -270.016 Base-Backbone interact. energy: -0.283 local terms energy: -323.010011 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -74.553 flat angles P-C4'-P energy: -46.905 tors. eta vs tors. theta energy: -70.724 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: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -701.608203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.608203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.608203 (E_RNA) where: Base-Base interactions energy: -423.940 where: short stacking energy: -205.836 Base-Backbone interact. energy: 0.256 local terms energy: -277.924438 where: bonds (distance) C4'-P energy: -73.429 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -41.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -605.674369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.674369 (E_RNA) where: Base-Base interactions energy: -351.035 where: short stacking energy: -173.664 Base-Backbone interact. energy: 0.983 local terms energy: -255.621997 where: bonds (distance) C4'-P energy: -51.477 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -63.169 flat angles P-C4'-P energy: -32.699 tors. eta vs tors. theta energy: -45.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -530.782493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.782493 (E_RNA) where: Base-Base interactions energy: -313.986 where: short stacking energy: -159.432 Base-Backbone interact. energy: 0.364 local terms energy: -217.160631 where: bonds (distance) C4'-P energy: -65.342 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -47.500 flat angles P-C4'-P energy: -30.931 tors. eta vs tors. theta energy: -9.327 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: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -394.650727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.650727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.650727 (E_RNA) where: Base-Base interactions energy: -192.036 where: short stacking energy: -110.872 Base-Backbone interact. energy: -1.150 local terms energy: -201.464981 where: bonds (distance) C4'-P energy: -58.666 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -48.983 flat angles P-C4'-P energy: -36.275 tors. eta vs tors. theta energy: 1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -301.126769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.126769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.126769 (E_RNA) where: Base-Base interactions energy: -88.244 where: short stacking energy: -66.586 Base-Backbone interact. energy: -1.847 local terms energy: -211.035778 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -54.491 flat angles P-C4'-P energy: -33.995 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1196.168060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.168060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.168060 (E_RNA) where: Base-Base interactions energy: -832.228 where: short stacking energy: -332.699 Base-Backbone interact. energy: -0.733 local terms energy: -363.207534 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -73.362 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -44.273 tors. eta vs tors. theta energy: -95.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1137.583352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.583352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.583352 (E_RNA) where: Base-Base interactions energy: -750.122 where: short stacking energy: -360.671 Base-Backbone interact. energy: -0.719 local terms energy: -386.742429 where: bonds (distance) C4'-P energy: -70.571 bonds (distance) P-C4' energy: -63.515 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -59.834 tors. eta vs tors. theta energy: -111.503 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: 73 Temperature: 1.000000 Total energy: -1116.140551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.140551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.140551 (E_RNA) where: Base-Base interactions energy: -777.663 where: short stacking energy: -331.310 Base-Backbone interact. energy: -1.144 local terms energy: -337.333442 where: bonds (distance) C4'-P energy: -64.534 bonds (distance) P-C4' energy: -66.753 flat angles C4'-P-C4' energy: -72.452 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -92.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1006.552793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.552793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.552793 (E_RNA) where: Base-Base interactions energy: -673.422 where: short stacking energy: -284.625 Base-Backbone interact. energy: -0.948 local terms energy: -332.182560 where: bonds (distance) C4'-P energy: -66.940 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -76.772 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -85.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -950.219809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.219809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.219809 (E_RNA) where: Base-Base interactions energy: -636.944 where: short stacking energy: -269.371 Base-Backbone interact. energy: 3.770 local terms energy: -317.046131 where: bonds (distance) C4'-P energy: -57.052 bonds (distance) P-C4' energy: -75.929 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -44.119 tors. eta vs tors. theta energy: -77.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -640.092505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.092505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.092505 (E_RNA) where: Base-Base interactions energy: -369.413 where: short stacking energy: -197.215 Base-Backbone interact. energy: -0.895 local terms energy: -269.784603 where: bonds (distance) C4'-P energy: -70.827 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -62.676 flat angles P-C4'-P energy: -29.727 tors. eta vs tors. theta energy: -42.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -668.234476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.234476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.234476 (E_RNA) where: Base-Base interactions energy: -392.910 where: short stacking energy: -175.451 Base-Backbone interact. energy: -0.235 local terms energy: -275.089508 where: bonds (distance) C4'-P energy: -71.124 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -30.221 tors. eta vs tors. theta energy: -39.929 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: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -593.459690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.459690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.459690 (E_RNA) where: Base-Base interactions energy: -341.805 where: short stacking energy: -163.907 Base-Backbone interact. energy: 0.812 local terms energy: -252.467209 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -66.498 flat angles C4'-P-C4' energy: -55.487 flat angles P-C4'-P energy: -44.477 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: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -373.121446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.121446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.121446 (E_RNA) where: Base-Base interactions energy: -182.392 where: short stacking energy: -115.271 Base-Backbone interact. energy: 2.891 local terms energy: -193.619825 where: bonds (distance) C4'-P energy: -60.658 bonds (distance) P-C4' energy: -61.535 flat angles C4'-P-C4' energy: -58.482 flat angles P-C4'-P energy: -15.235 tors. eta vs tors. theta energy: 2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -345.193062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.193062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.193062 (E_RNA) where: Base-Base interactions energy: -148.175 where: short stacking energy: -87.706 Base-Backbone interact. energy: -1.215 local terms energy: -195.802620 where: bonds (distance) C4'-P energy: -54.091 bonds (distance) P-C4' energy: -67.244 flat angles C4'-P-C4' energy: -41.366 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: 8.777 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: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1212.203450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.203450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.203450 (E_RNA) where: Base-Base interactions energy: -850.740 where: short stacking energy: -335.665 Base-Backbone interact. energy: -0.797 local terms energy: -360.666474 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -67.399 flat angles C4'-P-C4' energy: -85.470 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -91.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1125.564963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.564963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.564963 (E_RNA) where: Base-Base interactions energy: -730.270 where: short stacking energy: -347.391 Base-Backbone interact. energy: -1.451 local terms energy: -393.844475 where: bonds (distance) C4'-P energy: -67.081 bonds (distance) P-C4' energy: -76.705 flat angles C4'-P-C4' energy: -79.248 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -120.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1089.497330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.497330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.497330 (E_RNA) where: Base-Base interactions energy: -731.238 where: short stacking energy: -334.540 Base-Backbone interact. energy: -1.163 local terms energy: -357.096171 where: bonds (distance) C4'-P energy: -69.371 bonds (distance) P-C4' energy: -66.984 flat angles C4'-P-C4' energy: -69.110 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -100.852 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: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1015.666767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.666767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.666767 (E_RNA) where: Base-Base interactions energy: -666.357 where: short stacking energy: -284.088 Base-Backbone interact. energy: -2.168 local terms energy: -347.142437 where: bonds (distance) C4'-P energy: -69.655 bonds (distance) P-C4' energy: -78.866 flat angles C4'-P-C4' energy: -72.757 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: -80.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -896.951706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.951706 (E_RNA) where: Base-Base interactions energy: -578.618 where: short stacking energy: -261.816 Base-Backbone interact. energy: 1.566 local terms energy: -319.899548 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -61.228 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -75.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -661.010193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.010193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.010193 (E_RNA) where: Base-Base interactions energy: -379.641 where: short stacking energy: -199.034 Base-Backbone interact. energy: -1.287 local terms energy: -280.082148 where: bonds (distance) C4'-P energy: -76.309 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -68.243 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -37.721 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: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -711.277732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.277732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.277732 (E_RNA) where: Base-Base interactions energy: -474.998 where: short stacking energy: -189.894 Base-Backbone interact. energy: -4.696 local terms energy: -231.583911 where: bonds (distance) C4'-P energy: -50.547 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -26.491 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -569.504634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.504634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.504634 (E_RNA) where: Base-Base interactions energy: -324.006 where: short stacking energy: -164.225 Base-Backbone interact. energy: 0.033 local terms energy: -245.532184 where: bonds (distance) C4'-P energy: -50.036 bonds (distance) P-C4' energy: -76.086 flat angles C4'-P-C4' energy: -71.825 flat angles P-C4'-P energy: -28.819 tors. eta vs tors. theta energy: -18.766 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: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -386.858056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.858056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.858056 (E_RNA) where: Base-Base interactions energy: -145.727 where: short stacking energy: -89.332 Base-Backbone interact. energy: 3.530 local terms energy: -244.660443 where: bonds (distance) C4'-P energy: -57.728 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -1.617 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: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -284.219741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.219741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.219741 (E_RNA) where: Base-Base interactions energy: -89.688 where: short stacking energy: -75.536 Base-Backbone interact. energy: -1.155 local terms energy: -193.377054 where: bonds (distance) C4'-P energy: -56.240 bonds (distance) P-C4' energy: -65.163 flat angles C4'-P-C4' energy: -50.348 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: 14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1196.392823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.392823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.392823 (E_RNA) where: Base-Base interactions energy: -829.041 where: short stacking energy: -328.645 Base-Backbone interact. energy: -1.763 local terms energy: -365.589512 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -74.750 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -91.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1109.476301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.476301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.476301 (E_RNA) where: Base-Base interactions energy: -734.029 where: short stacking energy: -338.308 Base-Backbone interact. energy: -1.430 local terms energy: -374.017481 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -55.540 tors. eta vs tors. theta energy: -103.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1069.544660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.544660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.544660 (E_RNA) where: Base-Base interactions energy: -723.431 where: short stacking energy: -329.079 Base-Backbone interact. energy: -0.990 local terms energy: -345.123803 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -56.982 flat angles P-C4'-P energy: -55.173 tors. eta vs tors. theta energy: -92.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -997.291711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.291711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.291711 (E_RNA) where: Base-Base interactions energy: -674.320 where: short stacking energy: -280.943 Base-Backbone interact. energy: -1.949 local terms energy: -321.022731 where: bonds (distance) C4'-P energy: -53.703 bonds (distance) P-C4' energy: -67.203 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -40.778 tors. eta vs tors. theta energy: -76.026 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: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -908.989852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.989852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.989852 (E_RNA) where: Base-Base interactions energy: -593.556 where: short stacking energy: -248.978 Base-Backbone interact. energy: 0.409 local terms energy: -315.842811 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -62.409 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -48.805 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: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -718.419741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.419741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.419741 (E_RNA) where: Base-Base interactions energy: -450.136 where: short stacking energy: -206.435 Base-Backbone interact. energy: -0.473 local terms energy: -267.809995 where: bonds (distance) C4'-P energy: -61.389 bonds (distance) P-C4' energy: -57.406 flat angles C4'-P-C4' energy: -59.621 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: -44.826 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: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -548.978211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.978211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.978211 (E_RNA) where: Base-Base interactions energy: -283.603 where: short stacking energy: -162.726 Base-Backbone interact. energy: -0.413 local terms energy: -264.962016 where: bonds (distance) C4'-P energy: -59.423 bonds (distance) P-C4' energy: -72.208 flat angles C4'-P-C4' energy: -54.306 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -550.255875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.255875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.255875 (E_RNA) where: Base-Base interactions energy: -316.089 where: short stacking energy: -159.843 Base-Backbone interact. energy: 1.272 local terms energy: -235.438363 where: bonds (distance) C4'-P energy: -57.894 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -53.947 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -25.625 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: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -357.631515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.631515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.631515 (E_RNA) where: Base-Base interactions energy: -181.419 where: short stacking energy: -106.233 Base-Backbone interact. energy: 2.373 local terms energy: -178.585443 where: bonds (distance) C4'-P energy: -39.316 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -23.183 tors. eta vs tors. theta energy: 11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -283.079273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.079273 (E_RNA) where: Base-Base interactions energy: -105.524 where: short stacking energy: -72.275 Base-Backbone interact. energy: 2.852 local terms energy: -180.407877 where: bonds (distance) C4'-P energy: -56.357 bonds (distance) P-C4' energy: -65.111 flat angles C4'-P-C4' energy: -59.168 flat angles P-C4'-P energy: -15.822 tors. eta vs tors. theta energy: 16.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1206.474436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.474436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.474436 (E_RNA) where: Base-Base interactions energy: -846.548 where: short stacking energy: -327.149 Base-Backbone interact. energy: -1.380 local terms energy: -358.546644 where: bonds (distance) C4'-P energy: -67.837 bonds (distance) P-C4' energy: -65.651 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: -97.653 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: 76 Temperature: 0.950000 Total energy: -1118.858307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.858307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.858307 (E_RNA) where: Base-Base interactions energy: -740.248 where: short stacking energy: -344.147 Base-Backbone interact. energy: -2.951 local terms energy: -375.659317 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -77.015 flat angles C4'-P-C4' energy: -85.338 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -104.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1106.622609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.622609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.622609 (E_RNA) where: Base-Base interactions energy: -758.857 where: short stacking energy: -319.962 Base-Backbone interact. energy: 0.615 local terms energy: -348.380762 where: bonds (distance) C4'-P energy: -70.745 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -77.076 flat angles P-C4'-P energy: -41.174 tors. eta vs tors. theta energy: -95.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1032.874796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.874796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.874796 (E_RNA) where: Base-Base interactions energy: -673.707 where: short stacking energy: -279.936 Base-Backbone interact. energy: -2.263 local terms energy: -356.904730 where: bonds (distance) C4'-P energy: -73.935 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -87.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -895.419583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.419583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.419583 (E_RNA) where: Base-Base interactions energy: -586.776 where: short stacking energy: -267.612 Base-Backbone interact. energy: -1.166 local terms energy: -307.477488 where: bonds (distance) C4'-P energy: -54.240 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -68.981 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -69.019 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: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -736.821283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.821283 (E_RNA) where: Base-Base interactions energy: -459.769 where: short stacking energy: -214.874 Base-Backbone interact. energy: -2.690 local terms energy: -274.362009 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -54.666 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -38.964 tors. eta vs tors. theta energy: -51.333 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: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -494.743912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.743912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.743912 (E_RNA) where: Base-Base interactions energy: -262.773 where: short stacking energy: -152.584 Base-Backbone interact. energy: -0.602 local terms energy: -231.368259 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -51.893 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: -19.321 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: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -545.424464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.424464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.424464 (E_RNA) where: Base-Base interactions energy: -329.601 where: short stacking energy: -171.450 Base-Backbone interact. energy: -2.567 local terms energy: -213.256471 where: bonds (distance) C4'-P energy: -55.062 bonds (distance) P-C4' energy: -61.036 flat angles C4'-P-C4' energy: -59.612 flat angles P-C4'-P energy: -14.588 tors. eta vs tors. theta energy: -22.958 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: 76 Temperature: 1.300000 Total energy: -314.534415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.534415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.534415 (E_RNA) where: Base-Base interactions energy: -105.677 where: short stacking energy: -74.053 Base-Backbone interact. energy: -1.571 local terms energy: -207.285961 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -73.995 flat angles C4'-P-C4' energy: -46.019 flat angles P-C4'-P energy: -37.958 tors. eta vs tors. theta energy: 4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -363.710244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.710244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.710244 (E_RNA) where: Base-Base interactions energy: -152.460 where: short stacking energy: -103.657 Base-Backbone interact. energy: -1.323 local terms energy: -209.927972 where: bonds (distance) C4'-P energy: -54.569 bonds (distance) P-C4' energy: -57.332 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: 1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1209.331913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.331913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.331913 (E_RNA) where: Base-Base interactions energy: -829.459 where: short stacking energy: -353.934 Base-Backbone interact. energy: -0.809 local terms energy: -379.063811 where: bonds (distance) C4'-P energy: -85.394 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -90.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1138.665344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.665344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.665344 (E_RNA) where: Base-Base interactions energy: -752.998 where: short stacking energy: -342.177 Base-Backbone interact. energy: -2.132 local terms energy: -383.534962 where: bonds (distance) C4'-P energy: -72.044 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -58.565 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: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1102.483803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.483803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.483803 (E_RNA) where: Base-Base interactions energy: -735.260 where: short stacking energy: -315.593 Base-Backbone interact. energy: -1.206 local terms energy: -366.017348 where: bonds (distance) C4'-P energy: -66.435 bonds (distance) P-C4' energy: -72.302 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -94.237 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: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1055.635365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.635365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.635365 (E_RNA) where: Base-Base interactions energy: -716.948 where: short stacking energy: -315.192 Base-Backbone interact. energy: 0.317 local terms energy: -339.004053 where: bonds (distance) C4'-P energy: -61.615 bonds (distance) P-C4' energy: -74.579 flat angles C4'-P-C4' energy: -69.171 flat angles P-C4'-P energy: -44.128 tors. eta vs tors. theta energy: -89.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -945.626598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.626598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.626598 (E_RNA) where: Base-Base interactions energy: -605.388 where: short stacking energy: -267.212 Base-Backbone interact. energy: 1.941 local terms energy: -342.179847 where: bonds (distance) C4'-P energy: -72.664 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -68.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -720.091542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.091542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.091542 (E_RNA) where: Base-Base interactions energy: -436.402 where: short stacking energy: -193.874 Base-Backbone interact. energy: -3.187 local terms energy: -280.502212 where: bonds (distance) C4'-P energy: -65.290 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -74.241 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -42.298 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: 77 Temperature: 1.200000 Total energy: -546.062579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.062579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.062579 (E_RNA) where: Base-Base interactions energy: -302.110 where: short stacking energy: -149.286 Base-Backbone interact. energy: -1.878 local terms energy: -242.074591 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -54.806 flat angles P-C4'-P energy: -31.672 tors. eta vs tors. theta energy: -25.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -542.334448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.334448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.334448 (E_RNA) where: Base-Base interactions energy: -320.410 where: short stacking energy: -148.398 Base-Backbone interact. energy: -2.181 local terms energy: -219.743562 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -48.443 flat angles C4'-P-C4' energy: -48.984 flat angles P-C4'-P energy: -40.412 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: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -318.020483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.020483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.020483 (E_RNA) where: Base-Base interactions energy: -116.874 where: short stacking energy: -103.869 Base-Backbone interact. energy: 3.237 local terms energy: -204.383698 where: bonds (distance) C4'-P energy: -64.778 bonds (distance) P-C4' energy: -56.173 flat angles C4'-P-C4' energy: -47.046 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -361.326658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.326658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.326658 (E_RNA) where: Base-Base interactions energy: -174.750 where: short stacking energy: -104.342 Base-Backbone interact. energy: -1.403 local terms energy: -185.173054 where: bonds (distance) C4'-P energy: -56.920 bonds (distance) P-C4' energy: -55.091 flat angles C4'-P-C4' energy: -52.080 flat angles P-C4'-P energy: -22.469 tors. eta vs tors. theta energy: 1.386 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: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1194.907772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.907772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.907772 (E_RNA) where: Base-Base interactions energy: -811.118 where: short stacking energy: -336.847 Base-Backbone interact. energy: -0.024 local terms energy: -383.765988 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -97.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1153.190298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.190298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.190298 (E_RNA) where: Base-Base interactions energy: -757.733 where: short stacking energy: -338.954 Base-Backbone interact. energy: -3.289 local terms energy: -392.167960 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -79.181 flat angles C4'-P-C4' energy: -84.457 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -105.534 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: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1098.374801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.374801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.374801 (E_RNA) where: Base-Base interactions energy: -721.521 where: short stacking energy: -330.956 Base-Backbone interact. energy: -1.522 local terms energy: -375.331004 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -70.784 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -97.131 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: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1085.318048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.318048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.318048 (E_RNA) where: Base-Base interactions energy: -731.030 where: short stacking energy: -306.018 Base-Backbone interact. energy: -0.191 local terms energy: -354.097400 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -82.321 flat angles P-C4'-P energy: -53.911 tors. eta vs tors. theta energy: -93.151 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: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -945.961080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.961080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.961080 (E_RNA) where: Base-Base interactions energy: -631.567 where: short stacking energy: -299.681 Base-Backbone interact. energy: 4.608 local terms energy: -319.002073 where: bonds (distance) C4'-P energy: -51.467 bonds (distance) P-C4' energy: -66.255 flat angles C4'-P-C4' energy: -66.081 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: -81.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -731.380858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.380858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.380858 (E_RNA) where: Base-Base interactions energy: -439.888 where: short stacking energy: -237.248 Base-Backbone interact. energy: 0.694 local terms energy: -292.186912 where: bonds (distance) C4'-P energy: -58.527 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -47.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -547.999118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.999118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.999118 (E_RNA) where: Base-Base interactions energy: -306.983 where: short stacking energy: -150.742 Base-Backbone interact. energy: -1.714 local terms energy: -239.302238 where: bonds (distance) C4'-P energy: -67.001 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -51.241 flat angles P-C4'-P energy: -30.896 tors. eta vs tors. theta energy: -26.756 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: 78 Temperature: 1.250000 Total energy: -540.145601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.145601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.145601 (E_RNA) where: Base-Base interactions energy: -315.626 where: short stacking energy: -144.443 Base-Backbone interact. energy: -1.018 local terms energy: -223.501999 where: bonds (distance) C4'-P energy: -65.511 bonds (distance) P-C4' energy: -47.812 flat angles C4'-P-C4' energy: -59.961 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -406.624917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.624917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.624917 (E_RNA) where: Base-Base interactions energy: -196.724 where: short stacking energy: -124.560 Base-Backbone interact. energy: -0.721 local terms energy: -209.179522 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -48.939 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: -13.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -313.813018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.813018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.813018 (E_RNA) where: Base-Base interactions energy: -114.912 where: short stacking energy: -64.018 Base-Backbone interact. energy: 0.250 local terms energy: -199.151074 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -73.166 flat angles C4'-P-C4' energy: -49.391 flat angles P-C4'-P energy: -33.608 tors. eta vs tors. theta energy: 19.819 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: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1207.461736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.461736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.461736 (E_RNA) where: Base-Base interactions energy: -821.317 where: short stacking energy: -329.267 Base-Backbone interact. energy: -0.120 local terms energy: -386.025411 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -71.934 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -63.004 tors. eta vs tors. theta energy: -95.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1112.468627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.468627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.468627 (E_RNA) where: Base-Base interactions energy: -733.498 where: short stacking energy: -334.502 Base-Backbone interact. energy: -1.231 local terms energy: -377.739558 where: bonds (distance) C4'-P energy: -69.902 bonds (distance) P-C4' energy: -68.072 flat angles C4'-P-C4' energy: -80.610 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: -107.442 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: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1080.171439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.171439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.171439 (E_RNA) where: Base-Base interactions energy: -726.509 where: short stacking energy: -315.461 Base-Backbone interact. energy: -1.090 local terms energy: -352.572777 where: bonds (distance) C4'-P energy: -65.481 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -54.381 tors. eta vs tors. theta energy: -92.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1122.184858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.184858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.184858 (E_RNA) where: Base-Base interactions energy: -763.699 where: short stacking energy: -328.746 Base-Backbone interact. energy: 1.427 local terms energy: -359.912329 where: bonds (distance) C4'-P energy: -63.230 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -79.007 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -94.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -930.119333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.119333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.119333 (E_RNA) where: Base-Base interactions energy: -618.404 where: short stacking energy: -260.033 Base-Backbone interact. energy: 0.782 local terms energy: -312.497775 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -57.638 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -67.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -759.807466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.807466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.807466 (E_RNA) where: Base-Base interactions energy: -464.795 where: short stacking energy: -216.996 Base-Backbone interact. energy: -0.225 local terms energy: -294.787176 where: bonds (distance) C4'-P energy: -52.739 bonds (distance) P-C4' energy: -65.863 flat angles C4'-P-C4' energy: -73.943 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: -53.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -615.314346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.314346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.314346 (E_RNA) where: Base-Base interactions energy: -351.945 where: short stacking energy: -175.603 Base-Backbone interact. energy: -1.726 local terms energy: -261.644119 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -62.319 flat angles C4'-P-C4' energy: -66.739 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -27.881 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: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -548.334113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.334113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.334113 (E_RNA) where: Base-Base interactions energy: -318.002 where: short stacking energy: -152.600 Base-Backbone interact. energy: 2.404 local terms energy: -232.735853 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -51.951 flat angles C4'-P-C4' energy: -58.088 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: -12.279 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: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -368.513733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.513733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.513733 (E_RNA) where: Base-Base interactions energy: -166.894 where: short stacking energy: -108.731 Base-Backbone interact. energy: -1.268 local terms energy: -200.351320 where: bonds (distance) C4'-P energy: -60.850 bonds (distance) P-C4' energy: -55.762 flat angles C4'-P-C4' energy: -50.344 flat angles P-C4'-P energy: -37.072 tors. eta vs tors. theta energy: 3.677 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: 10, replica: 2 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -280.978139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.978139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.978139 (E_RNA) where: Base-Base interactions energy: -101.447 where: short stacking energy: -75.561 Base-Backbone interact. energy: 0.279 local terms energy: -179.810065 where: bonds (distance) C4'-P energy: -49.638 bonds (distance) P-C4' energy: -57.438 flat angles C4'-P-C4' energy: -47.185 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: 11.025 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: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1191.635159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.635159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.635159 (E_RNA) where: Base-Base interactions energy: -823.757 where: short stacking energy: -328.443 Base-Backbone interact. energy: -1.130 local terms energy: -366.748961 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -76.537 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -98.068 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: 80 Temperature: 0.950000 Total energy: -1154.032651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.032651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.032651 (E_RNA) where: Base-Base interactions energy: -767.960 where: short stacking energy: -349.120 Base-Backbone interact. energy: -2.133 local terms energy: -383.939760 where: bonds (distance) C4'-P energy: -60.466 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -92.864 flat angles P-C4'-P energy: -51.959 tors. eta vs tors. theta energy: -111.480 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: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1113.171295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.171295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.171295 (E_RNA) where: Base-Base interactions energy: -749.949 where: short stacking energy: -325.086 Base-Backbone interact. energy: -1.092 local terms energy: -362.130669 where: bonds (distance) C4'-P energy: -66.058 bonds (distance) P-C4' energy: -75.402 flat angles C4'-P-C4' energy: -86.188 flat angles P-C4'-P energy: -48.127 tors. eta vs tors. theta energy: -86.356 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: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1074.869854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.869854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.869854 (E_RNA) where: Base-Base interactions energy: -724.704 where: short stacking energy: -302.173 Base-Backbone interact. energy: -3.499 local terms energy: -346.666612 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -68.271 flat angles P-C4'-P energy: -44.376 tors. eta vs tors. theta energy: -90.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -938.114319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.114319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.114319 (E_RNA) where: Base-Base interactions energy: -593.303 where: short stacking energy: -252.716 Base-Backbone interact. energy: -0.305 local terms energy: -344.505678 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -77.144 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: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -743.338165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.338165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.338165 (E_RNA) where: Base-Base interactions energy: -441.087 where: short stacking energy: -212.674 Base-Backbone interact. energy: -1.375 local terms energy: -300.876197 where: bonds (distance) C4'-P energy: -66.207 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -48.014 tors. eta vs tors. theta energy: -45.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -630.281770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.281770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.281770 (E_RNA) where: Base-Base interactions energy: -392.817 where: short stacking energy: -149.237 Base-Backbone interact. energy: -1.073 local terms energy: -236.391748 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -58.699 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -28.858 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: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -636.170283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.170283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.170283 (E_RNA) where: Base-Base interactions energy: -395.134 where: short stacking energy: -178.817 Base-Backbone interact. energy: 2.431 local terms energy: -243.467768 where: bonds (distance) C4'-P energy: -53.429 bonds (distance) P-C4' energy: -64.251 flat angles C4'-P-C4' energy: -60.548 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -27.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -386.666797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.666797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.666797 (E_RNA) where: Base-Base interactions energy: -183.860 where: short stacking energy: -109.044 Base-Backbone interact. energy: -2.883 local terms energy: -199.923567 where: bonds (distance) C4'-P energy: -54.223 bonds (distance) P-C4' energy: -58.087 flat angles C4'-P-C4' energy: -53.633 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: 3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -290.822682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.822682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.822682 (E_RNA) where: Base-Base interactions energy: -106.388 where: short stacking energy: -77.040 Base-Backbone interact. energy: 1.004 local terms energy: -185.438563 where: bonds (distance) C4'-P energy: -63.474 bonds (distance) P-C4' energy: -60.023 flat angles C4'-P-C4' energy: -50.535 flat angles P-C4'-P energy: -29.140 tors. eta vs tors. theta energy: 17.733 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: 81 Temperature: 0.900000 Total energy: -1216.251852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.251852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.251852 (E_RNA) where: Base-Base interactions energy: -872.104 where: short stacking energy: -337.580 Base-Backbone interact. energy: -1.249 local terms energy: -342.898970 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -65.248 flat angles C4'-P-C4' energy: -66.754 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -99.168 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: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1162.611446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.611446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.611446 (E_RNA) where: Base-Base interactions energy: -764.076 where: short stacking energy: -341.240 Base-Backbone interact. energy: 0.107 local terms energy: -398.642588 where: bonds (distance) C4'-P energy: -79.777 bonds (distance) P-C4' energy: -76.051 flat angles C4'-P-C4' energy: -85.593 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -106.107 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: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1112.286360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.286360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.286360 (E_RNA) where: Base-Base interactions energy: -766.277 where: short stacking energy: -324.621 Base-Backbone interact. energy: -2.380 local terms energy: -343.629345 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -64.189 flat angles C4'-P-C4' energy: -74.789 flat angles P-C4'-P energy: -44.778 tors. eta vs tors. theta energy: -100.533 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: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1049.087224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.087224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.087224 (E_RNA) where: Base-Base interactions energy: -711.624 where: short stacking energy: -318.749 Base-Backbone interact. energy: -1.648 local terms energy: -335.815699 where: bonds (distance) C4'-P energy: -56.977 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -79.168 flat angles P-C4'-P energy: -48.973 tors. eta vs tors. theta energy: -86.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -895.384421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.384421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.384421 (E_RNA) where: Base-Base interactions energy: -569.545 where: short stacking energy: -239.458 Base-Backbone interact. energy: -1.446 local terms energy: -324.393614 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: -63.386 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: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -726.231673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.231673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.231673 (E_RNA) where: Base-Base interactions energy: -441.529 where: short stacking energy: -211.177 Base-Backbone interact. energy: 1.189 local terms energy: -285.891033 where: bonds (distance) C4'-P energy: -61.201 bonds (distance) P-C4' energy: -70.452 flat angles C4'-P-C4' energy: -59.974 flat angles P-C4'-P energy: -35.307 tors. eta vs tors. theta energy: -58.957 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -772.578778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.578778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.578778 (E_RNA) where: Base-Base interactions energy: -489.425 where: short stacking energy: -206.316 Base-Backbone interact. energy: -0.670 local terms energy: -282.483439 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -63.229 flat angles P-C4'-P energy: -33.884 tors. eta vs tors. theta energy: -56.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -695.628958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.628958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.628958 (E_RNA) where: Base-Base interactions energy: -442.078 where: short stacking energy: -180.828 Base-Backbone interact. energy: -1.628 local terms energy: -251.922384 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -76.343 flat angles P-C4'-P energy: -33.259 tors. eta vs tors. theta energy: -27.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -375.272226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.272226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.272226 (E_RNA) where: Base-Base interactions energy: -160.734 where: short stacking energy: -112.206 Base-Backbone interact. energy: -1.389 local terms energy: -213.149223 where: bonds (distance) C4'-P energy: -51.970 bonds (distance) P-C4' energy: -70.077 flat angles C4'-P-C4' energy: -53.634 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -307.943822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.943822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.943822 (E_RNA) where: Base-Base interactions energy: -111.117 where: short stacking energy: -96.614 Base-Backbone interact. energy: -1.228 local terms energy: -195.598086 where: bonds (distance) C4'-P energy: -55.735 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: 21.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1201.343754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.343754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.343754 (E_RNA) where: Base-Base interactions energy: -837.228 where: short stacking energy: -337.959 Base-Backbone interact. energy: -2.610 local terms energy: -361.505675 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -102.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1144.381768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.381768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.381768 (E_RNA) where: Base-Base interactions energy: -754.736 where: short stacking energy: -354.571 Base-Backbone interact. energy: -0.308 local terms energy: -389.337753 where: bonds (distance) C4'-P energy: -77.083 bonds (distance) P-C4' energy: -65.247 flat angles C4'-P-C4' energy: -85.627 flat angles P-C4'-P energy: -54.678 tors. eta vs tors. theta energy: -106.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1123.876173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.876173 (E_RNA) where: Base-Base interactions energy: -756.344 where: short stacking energy: -311.805 Base-Backbone interact. energy: -1.726 local terms energy: -365.806751 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -74.817 flat angles C4'-P-C4' energy: -68.476 flat angles P-C4'-P energy: -55.237 tors. eta vs tors. theta energy: -90.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1053.928658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.928658 (E_RNA) where: Base-Base interactions energy: -708.380 where: short stacking energy: -304.161 Base-Backbone interact. energy: -2.038 local terms energy: -343.511249 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: -87.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -889.967198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.967198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.967198 (E_RNA) where: Base-Base interactions energy: -587.642 where: short stacking energy: -257.523 Base-Backbone interact. energy: -0.932 local terms energy: -301.393239 where: bonds (distance) C4'-P energy: -65.432 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -63.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -710.562154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.562154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.562154 (E_RNA) where: Base-Base interactions energy: -439.784 where: short stacking energy: -201.420 Base-Backbone interact. energy: 0.714 local terms energy: -271.491562 where: bonds (distance) C4'-P energy: -66.959 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -57.022 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -38.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -769.950359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.950359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.950359 (E_RNA) where: Base-Base interactions energy: -494.508 where: short stacking energy: -193.690 Base-Backbone interact. energy: 0.428 local terms energy: -275.870194 where: bonds (distance) C4'-P energy: -61.362 bonds (distance) P-C4' energy: -66.838 flat angles C4'-P-C4' energy: -57.154 flat angles P-C4'-P energy: -36.593 tors. eta vs tors. theta energy: -53.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -720.230277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.230277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.230277 (E_RNA) where: Base-Base interactions energy: -461.062 where: short stacking energy: -205.477 Base-Backbone interact. energy: -2.362 local terms energy: -256.806323 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -66.159 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -21.328 tors. eta vs tors. theta energy: -36.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -370.426889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.426889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.426889 (E_RNA) where: Base-Base interactions energy: -159.642 where: short stacking energy: -113.176 Base-Backbone interact. energy: 0.130 local terms energy: -210.915121 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -43.346 flat angles P-C4'-P energy: -25.121 tors. eta vs tors. theta energy: -0.126 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: 82 Temperature: 1.350000 Total energy: -299.365619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.365619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.365619 (E_RNA) where: Base-Base interactions energy: -100.259 where: short stacking energy: -89.429 Base-Backbone interact. energy: -1.461 local terms energy: -197.645524 where: bonds (distance) C4'-P energy: -54.530 bonds (distance) P-C4' energy: -63.276 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: 3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1212.319981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.319981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.319981 (E_RNA) where: Base-Base interactions energy: -847.066 where: short stacking energy: -341.657 Base-Backbone interact. energy: 2.986 local terms energy: -368.239581 where: bonds (distance) C4'-P energy: -67.474 bonds (distance) P-C4' energy: -74.394 flat angles C4'-P-C4' energy: -75.846 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -95.808 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: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1179.153439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.153439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.153439 (E_RNA) where: Base-Base interactions energy: -775.449 where: short stacking energy: -361.389 Base-Backbone interact. energy: 3.043 local terms energy: -406.747098 where: bonds (distance) C4'-P energy: -60.931 bonds (distance) P-C4' energy: -85.380 flat angles C4'-P-C4' energy: -83.450 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -119.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1127.215680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.215680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.215680 (E_RNA) where: Base-Base interactions energy: -766.605 where: short stacking energy: -329.410 Base-Backbone interact. energy: 0.603 local terms energy: -361.213107 where: bonds (distance) C4'-P energy: -63.972 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -85.104 flat angles P-C4'-P energy: -44.208 tors. eta vs tors. theta energy: -98.977 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: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1042.099290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.099290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.099290 (E_RNA) where: Base-Base interactions energy: -686.538 where: short stacking energy: -307.775 Base-Backbone interact. energy: -2.071 local terms energy: -353.490722 where: bonds (distance) C4'-P energy: -57.539 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -88.904 flat angles P-C4'-P energy: -51.300 tors. eta vs tors. theta energy: -86.051 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: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -914.013436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.013436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.013436 (E_RNA) where: Base-Base interactions energy: -591.280 where: short stacking energy: -261.455 Base-Backbone interact. energy: -0.828 local terms energy: -321.905375 where: bonds (distance) C4'-P energy: -68.165 bonds (distance) P-C4' energy: -64.676 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -67.755 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: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -766.334386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.334386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.334386 (E_RNA) where: Base-Base interactions energy: -479.618 where: short stacking energy: -211.035 Base-Backbone interact. energy: 0.980 local terms energy: -287.695933 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -55.842 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -51.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -684.661431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.661431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.661431 (E_RNA) where: Base-Base interactions energy: -420.889 where: short stacking energy: -196.703 Base-Backbone interact. energy: -0.947 local terms energy: -262.825405 where: bonds (distance) C4'-P energy: -59.906 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -40.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -747.112672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.112672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.112672 (E_RNA) where: Base-Base interactions energy: -467.918 where: short stacking energy: -214.351 Base-Backbone interact. energy: 0.474 local terms energy: -279.669126 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -61.824 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -32.072 tors. eta vs tors. theta energy: -56.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -359.041813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.041813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.041813 (E_RNA) where: Base-Base interactions energy: -154.599 where: short stacking energy: -86.636 Base-Backbone interact. energy: 3.317 local terms energy: -207.759882 where: bonds (distance) C4'-P energy: -60.537 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -52.541 flat angles P-C4'-P energy: -39.273 tors. eta vs tors. theta energy: 11.888 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: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -303.681936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.681936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.681936 (E_RNA) where: Base-Base interactions energy: -127.556 where: short stacking energy: -79.710 Base-Backbone interact. energy: 2.873 local terms energy: -178.998780 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -49.404 flat angles C4'-P-C4' energy: -49.320 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: 9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1188.292537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.292537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.292537 (E_RNA) where: Base-Base interactions energy: -812.949 where: short stacking energy: -345.964 Base-Backbone interact. energy: -0.551 local terms energy: -374.793110 where: bonds (distance) C4'-P energy: -78.650 bonds (distance) P-C4' energy: -78.232 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -44.437 tors. eta vs tors. theta energy: -101.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1187.145989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.145989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.145989 (E_RNA) where: Base-Base interactions energy: -792.910 where: short stacking energy: -352.616 Base-Backbone interact. energy: -0.254 local terms energy: -393.982113 where: bonds (distance) C4'-P energy: -68.560 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -84.991 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -112.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1133.491682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.491682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.491682 (E_RNA) where: Base-Base interactions energy: -766.257 where: short stacking energy: -317.880 Base-Backbone interact. energy: 1.091 local terms energy: -368.326134 where: bonds (distance) C4'-P energy: -70.398 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -79.489 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: -99.003 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: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1004.136920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.136920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.136920 (E_RNA) where: Base-Base interactions energy: -687.223 where: short stacking energy: -300.380 Base-Backbone interact. energy: -1.126 local terms energy: -315.788005 where: bonds (distance) C4'-P energy: -67.257 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -66.668 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: -82.997 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: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -909.327047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.327047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.327047 (E_RNA) where: Base-Base interactions energy: -595.101 where: short stacking energy: -242.840 Base-Backbone interact. energy: -2.342 local terms energy: -311.884335 where: bonds (distance) C4'-P energy: -64.529 bonds (distance) P-C4' energy: -76.247 flat angles C4'-P-C4' energy: -65.563 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -59.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -813.434384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.434384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.434384 (E_RNA) where: Base-Base interactions energy: -500.597 where: short stacking energy: -245.088 Base-Backbone interact. energy: -1.854 local terms energy: -310.983454 where: bonds (distance) C4'-P energy: -56.284 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -80.358 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -62.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -764.617613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.617613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.617613 (E_RNA) where: Base-Base interactions energy: -500.027 where: short stacking energy: -233.522 Base-Backbone interact. energy: -1.024 local terms energy: -263.566504 where: bonds (distance) C4'-P energy: -58.656 bonds (distance) P-C4' energy: -58.885 flat angles C4'-P-C4' energy: -60.544 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: -46.445 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: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -595.101353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.101353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.101353 (E_RNA) where: Base-Base interactions energy: -342.125 where: short stacking energy: -151.992 Base-Backbone interact. energy: 1.196 local terms energy: -254.172846 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -53.362 flat angles P-C4'-P energy: -43.240 tors. eta vs tors. theta energy: -29.893 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: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -356.735746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.735746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.735746 (E_RNA) where: Base-Base interactions energy: -141.878 where: short stacking energy: -89.468 Base-Backbone interact. energy: -0.085 local terms energy: -214.772262 where: bonds (distance) C4'-P energy: -67.512 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -51.856 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: 12.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -297.394502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.394502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.394502 (E_RNA) where: Base-Base interactions energy: -105.667 where: short stacking energy: -95.387 Base-Backbone interact. energy: 2.934 local terms energy: -194.661092 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -53.027 flat angles P-C4'-P energy: -28.459 tors. eta vs tors. theta energy: 9.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1220.946747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.946747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.946747 (E_RNA) where: Base-Base interactions energy: -840.022 where: short stacking energy: -358.932 Base-Backbone interact. energy: -1.014 local terms energy: -379.911396 where: bonds (distance) C4'-P energy: -78.037 bonds (distance) P-C4' energy: -58.002 flat angles C4'-P-C4' energy: -81.415 flat angles P-C4'-P energy: -56.906 tors. eta vs tors. theta energy: -105.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1169.034026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.034026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.034026 (E_RNA) where: Base-Base interactions energy: -810.703 where: short stacking energy: -353.337 Base-Backbone interact. energy: 6.420 local terms energy: -364.751189 where: bonds (distance) C4'-P energy: -70.169 bonds (distance) P-C4' energy: -76.743 flat angles C4'-P-C4' energy: -70.988 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -100.010 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: 85 Temperature: 1.000000 Total energy: -1140.127974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.127974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.127974 (E_RNA) where: Base-Base interactions energy: -765.459 where: short stacking energy: -329.279 Base-Backbone interact. energy: -1.362 local terms energy: -373.307613 where: bonds (distance) C4'-P energy: -68.101 bonds (distance) P-C4' energy: -72.820 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: -104.235 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: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1018.402254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.402254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.402254 (E_RNA) where: Base-Base interactions energy: -683.532 where: short stacking energy: -281.748 Base-Backbone interact. energy: -1.350 local terms energy: -333.521013 where: bonds (distance) C4'-P energy: -76.833 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -66.537 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -73.670 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: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -938.517754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.517754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.517754 (E_RNA) where: Base-Base interactions energy: -611.556 where: short stacking energy: -265.772 Base-Backbone interact. energy: -1.072 local terms energy: -325.889180 where: bonds (distance) C4'-P energy: -69.165 bonds (distance) P-C4' energy: -63.643 flat angles C4'-P-C4' energy: -68.063 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -75.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -828.464600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.464600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.464600 (E_RNA) where: Base-Base interactions energy: -541.995 where: short stacking energy: -253.918 Base-Backbone interact. energy: 5.520 local terms energy: -291.989129 where: bonds (distance) C4'-P energy: -58.361 bonds (distance) P-C4' energy: -67.633 flat angles C4'-P-C4' energy: -60.178 flat angles P-C4'-P energy: -28.426 tors. eta vs tors. theta energy: -77.390 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -750.799780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.799780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.799780 (E_RNA) where: Base-Base interactions energy: -485.653 where: short stacking energy: -222.376 Base-Backbone interact. energy: -2.873 local terms energy: -262.274526 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -49.759 flat angles C4'-P-C4' energy: -62.930 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -47.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -580.526460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.526460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.526460 (E_RNA) where: Base-Base interactions energy: -333.437 where: short stacking energy: -159.893 Base-Backbone interact. energy: -0.561 local terms energy: -246.528542 where: bonds (distance) C4'-P energy: -58.658 bonds (distance) P-C4' energy: -67.588 flat angles C4'-P-C4' energy: -56.219 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -26.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -373.937694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.937694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.937694 (E_RNA) where: Base-Base interactions energy: -189.808 where: short stacking energy: -110.381 Base-Backbone interact. energy: -1.030 local terms energy: -183.100256 where: bonds (distance) C4'-P energy: -47.346 bonds (distance) P-C4' energy: -64.155 flat angles C4'-P-C4' energy: -40.405 flat angles P-C4'-P energy: -32.434 tors. eta vs tors. theta energy: 1.240 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: 85 Temperature: 1.350000 Total energy: -291.772406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.772406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.772406 (E_RNA) where: Base-Base interactions energy: -69.836 where: short stacking energy: -65.386 Base-Backbone interact. energy: -1.591 local terms energy: -220.345898 where: bonds (distance) C4'-P energy: -67.167 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -46.262 flat angles P-C4'-P energy: -36.988 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1210.101634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.101634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.101634 (E_RNA) where: Base-Base interactions energy: -848.045 where: short stacking energy: -333.267 Base-Backbone interact. energy: 2.959 local terms energy: -365.016348 where: bonds (distance) C4'-P energy: -75.808 bonds (distance) P-C4' energy: -71.208 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -45.565 tors. eta vs tors. theta energy: -94.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1173.964063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.964063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.964063 (E_RNA) where: Base-Base interactions energy: -795.919 where: short stacking energy: -338.869 Base-Backbone interact. energy: 0.975 local terms energy: -379.020415 where: bonds (distance) C4'-P energy: -72.835 bonds (distance) P-C4' energy: -66.964 flat angles C4'-P-C4' energy: -80.240 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -99.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1133.667696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.667696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.667696 (E_RNA) where: Base-Base interactions energy: -744.033 where: short stacking energy: -346.267 Base-Backbone interact. energy: -1.240 local terms energy: -388.394860 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -55.236 tors. eta vs tors. theta energy: -110.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -994.754774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.754774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.754774 (E_RNA) where: Base-Base interactions energy: -642.427 where: short stacking energy: -284.920 Base-Backbone interact. energy: -0.410 local terms energy: -351.917531 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -65.592 flat angles C4'-P-C4' energy: -78.526 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -88.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -841.632919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.632919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.632919 (E_RNA) where: Base-Base interactions energy: -523.644 where: short stacking energy: -258.593 Base-Backbone interact. energy: 1.086 local terms energy: -319.074586 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -68.783 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -58.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -871.866119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.866119 (E_RNA) where: Base-Base interactions energy: -576.347 where: short stacking energy: -252.145 Base-Backbone interact. energy: -0.892 local terms energy: -294.627106 where: bonds (distance) C4'-P energy: -65.090 bonds (distance) P-C4' energy: -67.469 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -34.922 tors. eta vs tors. theta energy: -61.081 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: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -723.499659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.499659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.499659 (E_RNA) where: Base-Base interactions energy: -467.632 where: short stacking energy: -206.990 Base-Backbone interact. energy: 1.184 local terms energy: -257.051169 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -48.078 flat angles C4'-P-C4' energy: -54.775 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -43.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -586.050995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.050995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.050995 (E_RNA) where: Base-Base interactions energy: -324.872 where: short stacking energy: -149.525 Base-Backbone interact. energy: -0.597 local terms energy: -260.581978 where: bonds (distance) C4'-P energy: -52.898 bonds (distance) P-C4' energy: -74.839 flat angles C4'-P-C4' energy: -62.610 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -26.900 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: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -385.278660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.278660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.278660 (E_RNA) where: Base-Base interactions energy: -176.065 where: short stacking energy: -104.166 Base-Backbone interact. energy: -1.548 local terms energy: -207.665049 where: bonds (distance) C4'-P energy: -53.807 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -64.696 flat angles P-C4'-P energy: -34.692 tors. eta vs tors. theta energy: 4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -277.202452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.202452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.202452 (E_RNA) where: Base-Base interactions energy: -72.345 where: short stacking energy: -45.998 Base-Backbone interact. energy: -1.656 local terms energy: -203.201645 where: bonds (distance) C4'-P energy: -63.835 bonds (distance) P-C4' energy: -72.307 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -28.211 tors. eta vs tors. theta energy: 20.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1228.757415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.757415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.757415 (E_RNA) where: Base-Base interactions energy: -866.359 where: short stacking energy: -324.379 Base-Backbone interact. energy: 1.861 local terms energy: -364.259711 where: bonds (distance) C4'-P energy: -69.769 bonds (distance) P-C4' energy: -78.850 flat angles C4'-P-C4' energy: -81.321 flat angles P-C4'-P energy: -43.027 tors. eta vs tors. theta energy: -91.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1181.642703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.642703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.642703 (E_RNA) where: Base-Base interactions energy: -794.502 where: short stacking energy: -337.523 Base-Backbone interact. energy: -0.895 local terms energy: -386.246549 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -76.255 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -104.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1113.829847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.829847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.829847 (E_RNA) where: Base-Base interactions energy: -739.023 where: short stacking energy: -344.817 Base-Backbone interact. energy: -0.226 local terms energy: -374.579906 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -70.724 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -99.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1040.840788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.840788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.840788 (E_RNA) where: Base-Base interactions energy: -680.972 where: short stacking energy: -305.213 Base-Backbone interact. energy: -1.870 local terms energy: -357.999342 where: bonds (distance) C4'-P energy: -72.526 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -892.744697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.744697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.744697 (E_RNA) where: Base-Base interactions energy: -571.492 where: short stacking energy: -292.937 Base-Backbone interact. energy: -1.520 local terms energy: -319.731966 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -56.561 flat angles C4'-P-C4' energy: -76.199 flat angles P-C4'-P energy: -42.860 tors. eta vs tors. theta energy: -76.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -880.978051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.978051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.978051 (E_RNA) where: Base-Base interactions energy: -580.183 where: short stacking energy: -234.588 Base-Backbone interact. energy: -2.857 local terms energy: -297.937391 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -60.309 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -42.537 tors. eta vs tors. theta energy: -56.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -736.093654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.093654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.093654 (E_RNA) where: Base-Base interactions energy: -429.921 where: short stacking energy: -213.949 Base-Backbone interact. energy: 2.606 local terms energy: -308.778734 where: bonds (distance) C4'-P energy: -75.600 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -66.054 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -57.249 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: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -571.921540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.921540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.921540 (E_RNA) where: Base-Base interactions energy: -313.095 where: short stacking energy: -146.170 Base-Backbone interact. energy: -1.027 local terms energy: -257.799810 where: bonds (distance) C4'-P energy: -66.850 bonds (distance) P-C4' energy: -71.648 flat angles C4'-P-C4' energy: -67.810 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: -15.766 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: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -367.081999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.081999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.081999 (E_RNA) where: Base-Base interactions energy: -163.348 where: short stacking energy: -91.183 Base-Backbone interact. energy: -1.538 local terms energy: -202.195226 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -57.523 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: 10.633 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: 87 Temperature: 1.350000 Total energy: -313.898907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.898907 (E_RNA) where: Base-Base interactions energy: -126.212 where: short stacking energy: -100.639 Base-Backbone interact. energy: 4.855 local terms energy: -192.541900 where: bonds (distance) C4'-P energy: -43.536 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -53.624 flat angles P-C4'-P energy: -33.291 tors. eta vs tors. theta energy: 5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1215.526795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.526795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.526795 (E_RNA) where: Base-Base interactions energy: -834.539 where: short stacking energy: -335.146 Base-Backbone interact. energy: -0.401 local terms energy: -380.587741 where: bonds (distance) C4'-P energy: -72.958 bonds (distance) P-C4' energy: -74.132 flat angles C4'-P-C4' energy: -81.685 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -96.304 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: 88 Temperature: 0.950000 Total energy: -1178.494085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.494085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.494085 (E_RNA) where: Base-Base interactions energy: -808.784 where: short stacking energy: -369.460 Base-Backbone interact. energy: -1.909 local terms energy: -367.801554 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -75.637 flat angles P-C4'-P energy: -57.108 tors. eta vs tors. theta energy: -103.056 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: 88 Temperature: 1.000000 Total energy: -1125.038580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.038580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.038580 (E_RNA) where: Base-Base interactions energy: -746.679 where: short stacking energy: -330.542 Base-Backbone interact. energy: -1.796 local terms energy: -376.564011 where: bonds (distance) C4'-P energy: -65.520 bonds (distance) P-C4' energy: -65.707 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -51.884 tors. eta vs tors. theta energy: -107.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1019.547749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.547749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.547749 (E_RNA) where: Base-Base interactions energy: -690.102 where: short stacking energy: -288.942 Base-Backbone interact. energy: -2.484 local terms energy: -326.961465 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -73.443 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -40.049 tors. eta vs tors. theta energy: -85.378 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: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -942.169474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.169474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.169474 (E_RNA) where: Base-Base interactions energy: -624.955 where: short stacking energy: -280.380 Base-Backbone interact. energy: 2.419 local terms energy: -319.633672 where: bonds (distance) C4'-P energy: -51.106 bonds (distance) P-C4' energy: -72.353 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -79.881 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: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -844.349448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.349448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.349448 (E_RNA) where: Base-Base interactions energy: -528.546 where: short stacking energy: -241.892 Base-Backbone interact. energy: -3.672 local terms energy: -312.131972 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -67.585 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -41.148 tors. eta vs tors. theta energy: -63.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -748.515169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.515169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.515169 (E_RNA) where: Base-Base interactions energy: -465.378 where: short stacking energy: -197.745 Base-Backbone interact. energy: -0.115 local terms energy: -283.021864 where: bonds (distance) C4'-P energy: -69.381 bonds (distance) P-C4' energy: -70.968 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -31.980 tors. eta vs tors. theta energy: -48.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -580.348272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.348272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.348272 (E_RNA) where: Base-Base interactions energy: -353.385 where: short stacking energy: -183.876 Base-Backbone interact. energy: -0.066 local terms energy: -226.896551 where: bonds (distance) C4'-P energy: -56.088 bonds (distance) P-C4' energy: -53.628 flat angles C4'-P-C4' energy: -59.700 flat angles P-C4'-P energy: -29.892 tors. eta vs tors. theta energy: -27.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -367.942749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.942749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.942749 (E_RNA) where: Base-Base interactions energy: -168.547 where: short stacking energy: -112.888 Base-Backbone interact. energy: 2.301 local terms energy: -201.697017 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -59.416 flat angles P-C4'-P energy: -34.660 tors. eta vs tors. theta energy: 9.025 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: 2 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -316.087658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.087658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.087658 (E_RNA) where: Base-Base interactions energy: -115.259 where: short stacking energy: -103.234 Base-Backbone interact. energy: -1.556 local terms energy: -199.273284 where: bonds (distance) C4'-P energy: -57.982 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -52.299 flat angles P-C4'-P energy: -25.387 tors. eta vs tors. theta energy: 0.081 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: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1217.817261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.817261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.817261 (E_RNA) where: Base-Base interactions energy: -849.744 where: short stacking energy: -327.047 Base-Backbone interact. energy: 0.091 local terms energy: -368.164397 where: bonds (distance) C4'-P energy: -67.347 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -85.454 flat angles P-C4'-P energy: -46.876 tors. eta vs tors. theta energy: -92.198 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: 89 Temperature: 0.950000 Total energy: -1139.647358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.647358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.647358 (E_RNA) where: Base-Base interactions energy: -768.353 where: short stacking energy: -318.299 Base-Backbone interact. energy: -4.539 local terms energy: -366.755238 where: bonds (distance) C4'-P energy: -75.508 bonds (distance) P-C4' energy: -68.367 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -93.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1114.483350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.483350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.483350 (E_RNA) where: Base-Base interactions energy: -753.440 where: short stacking energy: -328.610 Base-Backbone interact. energy: 2.711 local terms energy: -363.753610 where: bonds (distance) C4'-P energy: -65.695 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -82.492 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -94.466 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: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1012.255782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.255782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.255782 (E_RNA) where: Base-Base interactions energy: -677.390 where: short stacking energy: -298.695 Base-Backbone interact. energy: -0.931 local terms energy: -333.934682 where: bonds (distance) C4'-P energy: -62.313 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -74.439 flat angles P-C4'-P energy: -47.968 tors. eta vs tors. theta energy: -84.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -926.037072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.037072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.037072 (E_RNA) where: Base-Base interactions energy: -602.209 where: short stacking energy: -267.105 Base-Backbone interact. energy: 5.583 local terms energy: -329.411777 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -73.002 flat angles C4'-P-C4' energy: -76.570 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -71.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -811.488199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.488199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.488199 (E_RNA) where: Base-Base interactions energy: -506.012 where: short stacking energy: -239.097 Base-Backbone interact. energy: 0.850 local terms energy: -306.326025 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -63.495 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -59.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -724.263848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.263848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.263848 (E_RNA) where: Base-Base interactions energy: -444.537 where: short stacking energy: -204.836 Base-Backbone interact. energy: 0.536 local terms energy: -280.262877 where: bonds (distance) C4'-P energy: -68.545 bonds (distance) P-C4' energy: -68.054 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -41.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -611.983441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.983441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.983441 (E_RNA) where: Base-Base interactions energy: -372.503 where: short stacking energy: -164.310 Base-Backbone interact. energy: 1.753 local terms energy: -241.233457 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -66.926 flat angles C4'-P-C4' energy: -60.955 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: -22.900 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: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -415.112924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.112924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.112924 (E_RNA) where: Base-Base interactions energy: -202.340 where: short stacking energy: -126.683 Base-Backbone interact. energy: -1.729 local terms energy: -211.044234 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -58.675 flat angles P-C4'-P energy: -32.363 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -312.192530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.192530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.192530 (E_RNA) where: Base-Base interactions energy: -93.538 where: short stacking energy: -73.190 Base-Backbone interact. energy: -0.779 local terms energy: -217.876324 where: bonds (distance) C4'-P energy: -56.537 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -61.028 flat angles P-C4'-P energy: -30.245 tors. eta vs tors. theta energy: -2.735 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: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1216.712605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.712605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.712605 (E_RNA) where: Base-Base interactions energy: -866.778 where: short stacking energy: -329.014 Base-Backbone interact. energy: 0.582 local terms energy: -350.516754 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -67.125 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -92.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1166.838801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.838801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.838801 (E_RNA) where: Base-Base interactions energy: -808.645 where: short stacking energy: -342.627 Base-Backbone interact. energy: 2.744 local terms energy: -360.938527 where: bonds (distance) C4'-P energy: -64.277 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -81.884 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -102.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1066.999769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.999769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.999769 (E_RNA) where: Base-Base interactions energy: -707.102 where: short stacking energy: -306.130 Base-Backbone interact. energy: -1.195 local terms energy: -358.702829 where: bonds (distance) C4'-P energy: -75.108 bonds (distance) P-C4' energy: -74.377 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: -94.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1033.023861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.023861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.023861 (E_RNA) where: Base-Base interactions energy: -685.756 where: short stacking energy: -313.935 Base-Backbone interact. energy: 1.091 local terms energy: -348.358839 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -76.306 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -91.846 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: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -958.851718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.851718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.851718 (E_RNA) where: Base-Base interactions energy: -630.494 where: short stacking energy: -282.626 Base-Backbone interact. energy: -0.719 local terms energy: -327.639044 where: bonds (distance) C4'-P energy: -73.896 bonds (distance) P-C4' energy: -52.624 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -87.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -808.466647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.466647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.466647 (E_RNA) where: Base-Base interactions energy: -495.499 where: short stacking energy: -229.967 Base-Backbone interact. energy: -2.480 local terms energy: -310.487991 where: bonds (distance) C4'-P energy: -71.632 bonds (distance) P-C4' energy: -68.219 flat angles C4'-P-C4' energy: -63.730 flat angles P-C4'-P energy: -50.650 tors. eta vs tors. theta energy: -56.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -722.628230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.628230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.628230 (E_RNA) where: Base-Base interactions energy: -432.914 where: short stacking energy: -189.146 Base-Backbone interact. energy: -1.344 local terms energy: -288.369488 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -69.782 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -42.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -574.006048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.006048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.006048 (E_RNA) where: Base-Base interactions energy: -336.800 where: short stacking energy: -183.102 Base-Backbone interact. energy: 0.003 local terms energy: -237.208768 where: bonds (distance) C4'-P energy: -57.588 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -24.347 tors. eta vs tors. theta energy: -34.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -388.986317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.986317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.986317 (E_RNA) where: Base-Base interactions energy: -176.368 where: short stacking energy: -94.550 Base-Backbone interact. energy: 1.743 local terms energy: -214.361764 where: bonds (distance) C4'-P energy: -60.724 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -59.133 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: 5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -292.530714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.530714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.530714 (E_RNA) where: Base-Base interactions energy: -103.924 where: short stacking energy: -86.631 Base-Backbone interact. energy: 6.143 local terms energy: -194.749433 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -51.541 flat angles P-C4'-P energy: -29.152 tors. eta vs tors. theta energy: 12.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1225.731059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.731059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.731059 (E_RNA) where: Base-Base interactions energy: -869.962 where: short stacking energy: -340.812 Base-Backbone interact. energy: 2.626 local terms energy: -358.395728 where: bonds (distance) C4'-P energy: -73.103 bonds (distance) P-C4' energy: -78.651 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -91.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1165.835628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.835628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.835628 (E_RNA) where: Base-Base interactions energy: -795.211 where: short stacking energy: -349.623 Base-Backbone interact. energy: -2.702 local terms energy: -367.922985 where: bonds (distance) C4'-P energy: -56.113 bonds (distance) P-C4' energy: -76.939 flat angles C4'-P-C4' energy: -82.290 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -99.588 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: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1108.457634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.457634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.457634 (E_RNA) where: Base-Base interactions energy: -737.574 where: short stacking energy: -318.516 Base-Backbone interact. energy: -1.325 local terms energy: -369.558790 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -67.802 flat angles C4'-P-C4' energy: -72.012 flat angles P-C4'-P energy: -51.613 tors. eta vs tors. theta energy: -99.000 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: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1043.564215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.564215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.564215 (E_RNA) where: Base-Base interactions energy: -691.890 where: short stacking energy: -291.257 Base-Backbone interact. energy: -0.649 local terms energy: -351.025144 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -76.958 flat angles C4'-P-C4' energy: -76.204 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -86.714 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: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -998.126903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.126903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.126903 (E_RNA) where: Base-Base interactions energy: -681.461 where: short stacking energy: -302.500 Base-Backbone interact. energy: -2.169 local terms energy: -314.497223 where: bonds (distance) C4'-P energy: -62.670 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -79.032 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -806.165043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.165043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.165043 (E_RNA) where: Base-Base interactions energy: -495.657 where: short stacking energy: -239.641 Base-Backbone interact. energy: -2.490 local terms energy: -308.017735 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -61.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -713.690893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.690893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.690893 (E_RNA) where: Base-Base interactions energy: -450.177 where: short stacking energy: -207.021 Base-Backbone interact. energy: -0.611 local terms energy: -262.902067 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -64.842 flat angles C4'-P-C4' energy: -59.915 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: -42.110 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: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -580.557233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.557233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.557233 (E_RNA) where: Base-Base interactions energy: -331.192 where: short stacking energy: -157.537 Base-Backbone interact. energy: 1.479 local terms energy: -250.844273 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -68.321 flat angles C4'-P-C4' energy: -62.161 flat angles P-C4'-P energy: -32.020 tors. eta vs tors. theta energy: -28.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -393.739533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.739533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.739533 (E_RNA) where: Base-Base interactions energy: -189.660 where: short stacking energy: -113.448 Base-Backbone interact. energy: 0.842 local terms energy: -204.920861 where: bonds (distance) C4'-P energy: -57.113 bonds (distance) P-C4' energy: -68.857 flat angles C4'-P-C4' energy: -58.125 flat angles P-C4'-P energy: -23.464 tors. eta vs tors. theta energy: 2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -332.618138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.618138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.618138 (E_RNA) where: Base-Base interactions energy: -148.928 where: short stacking energy: -103.209 Base-Backbone interact. energy: 2.548 local terms energy: -186.237961 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -60.273 flat angles C4'-P-C4' energy: -39.401 flat angles P-C4'-P energy: -37.052 tors. eta vs tors. theta energy: 10.711 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: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1237.377722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.377722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.377722 (E_RNA) where: Base-Base interactions energy: -882.171 where: short stacking energy: -330.204 Base-Backbone interact. energy: -1.118 local terms energy: -354.088744 where: bonds (distance) C4'-P energy: -65.864 bonds (distance) P-C4' energy: -69.744 flat angles C4'-P-C4' energy: -80.091 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -96.992 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: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1172.167411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.167411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.167411 (E_RNA) where: Base-Base interactions energy: -805.723 where: short stacking energy: -340.632 Base-Backbone interact. energy: -1.473 local terms energy: -364.971045 where: bonds (distance) C4'-P energy: -74.641 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -49.957 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: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1087.621215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.621215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.621215 (E_RNA) where: Base-Base interactions energy: -749.399 where: short stacking energy: -325.259 Base-Backbone interact. energy: 4.016 local terms energy: -342.237972 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -68.761 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -90.485 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: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1037.246861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.246861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.246861 (E_RNA) where: Base-Base interactions energy: -699.896 where: short stacking energy: -304.680 Base-Backbone interact. energy: -1.002 local terms energy: -336.349116 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -81.730 flat angles P-C4'-P energy: -41.269 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: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -905.761020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.761020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.761020 (E_RNA) where: Base-Base interactions energy: -577.299 where: short stacking energy: -265.343 Base-Backbone interact. energy: -0.686 local terms energy: -327.775909 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -73.343 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -68.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -765.182367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.182367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.182367 (E_RNA) where: Base-Base interactions energy: -483.087 where: short stacking energy: -230.346 Base-Backbone interact. energy: -0.371 local terms energy: -281.723943 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -68.336 flat angles C4'-P-C4' energy: -57.294 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: -52.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -761.164829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.164829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.164829 (E_RNA) where: Base-Base interactions energy: -469.500 where: short stacking energy: -195.392 Base-Backbone interact. energy: -1.755 local terms energy: -289.909353 where: bonds (distance) C4'-P energy: -52.781 bonds (distance) P-C4' energy: -75.768 flat angles C4'-P-C4' energy: -74.629 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -41.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -581.619424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.619424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.619424 (E_RNA) where: Base-Base interactions energy: -341.455 where: short stacking energy: -162.074 Base-Backbone interact. energy: -1.799 local terms energy: -238.365801 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -52.575 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -23.050 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: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -393.523881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.523881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.523881 (E_RNA) where: Base-Base interactions energy: -184.093 where: short stacking energy: -103.054 Base-Backbone interact. energy: -1.520 local terms energy: -207.911317 where: bonds (distance) C4'-P energy: -45.400 bonds (distance) P-C4' energy: -62.921 flat angles C4'-P-C4' energy: -49.361 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: -14.515 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: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -353.077652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.077652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.077652 (E_RNA) where: Base-Base interactions energy: -156.816 where: short stacking energy: -90.103 Base-Backbone interact. energy: -1.782 local terms energy: -194.479038 where: bonds (distance) C4'-P energy: -58.990 bonds (distance) P-C4' energy: -59.716 flat angles C4'-P-C4' energy: -48.092 flat angles P-C4'-P energy: -34.410 tors. eta vs tors. theta energy: 6.729 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: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1235.182901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.182901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.182901 (E_RNA) where: Base-Base interactions energy: -863.436 where: short stacking energy: -324.601 Base-Backbone interact. energy: -0.025 local terms energy: -371.722167 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -76.976 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -95.389 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: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1169.176778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.176778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.176778 (E_RNA) where: Base-Base interactions energy: -790.042 where: short stacking energy: -329.888 Base-Backbone interact. energy: 0.700 local terms energy: -379.834192 where: bonds (distance) C4'-P energy: -72.804 bonds (distance) P-C4' energy: -74.185 flat angles C4'-P-C4' energy: -77.769 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -101.984 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: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1105.310553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.310553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.310553 (E_RNA) where: Base-Base interactions energy: -735.820 where: short stacking energy: -327.338 Base-Backbone interact. energy: 1.998 local terms energy: -371.488986 where: bonds (distance) C4'-P energy: -72.580 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -81.453 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: -101.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1045.980993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.980993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.980993 (E_RNA) where: Base-Base interactions energy: -694.838 where: short stacking energy: -295.499 Base-Backbone interact. energy: -1.842 local terms energy: -349.301062 where: bonds (distance) C4'-P energy: -66.927 bonds (distance) P-C4' energy: -75.122 flat angles C4'-P-C4' energy: -75.917 flat angles P-C4'-P energy: -43.120 tors. eta vs tors. theta energy: -88.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -931.677772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.677772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.677772 (E_RNA) where: Base-Base interactions energy: -614.625 where: short stacking energy: -279.007 Base-Backbone interact. energy: -0.072 local terms energy: -316.980828 where: bonds (distance) C4'-P energy: -65.777 bonds (distance) P-C4' energy: -57.854 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -75.183 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: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -796.680952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.680952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.680952 (E_RNA) where: Base-Base interactions energy: -497.672 where: short stacking energy: -218.182 Base-Backbone interact. energy: -0.318 local terms energy: -298.690496 where: bonds (distance) C4'-P energy: -70.819 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -62.389 flat angles P-C4'-P energy: -41.659 tors. eta vs tors. theta energy: -53.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -694.553935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.553935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.553935 (E_RNA) where: Base-Base interactions energy: -416.833 where: short stacking energy: -209.753 Base-Backbone interact. energy: 2.731 local terms energy: -280.452163 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -71.536 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -36.145 tors. eta vs tors. theta energy: -47.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -625.736785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.736785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.736785 (E_RNA) where: Base-Base interactions energy: -350.128 where: short stacking energy: -139.424 Base-Backbone interact. energy: 0.942 local terms energy: -276.550867 where: bonds (distance) C4'-P energy: -72.719 bonds (distance) P-C4' energy: -71.565 flat angles C4'-P-C4' energy: -60.704 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -22.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -393.752613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.752613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.752613 (E_RNA) where: Base-Base interactions energy: -185.012 where: short stacking energy: -109.661 Base-Backbone interact. energy: -0.233 local terms energy: -208.507603 where: bonds (distance) C4'-P energy: -61.123 bonds (distance) P-C4' energy: -66.160 flat angles C4'-P-C4' energy: -49.800 flat angles P-C4'-P energy: -26.298 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -362.661650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.661650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.661650 (E_RNA) where: Base-Base interactions energy: -161.301 where: short stacking energy: -106.596 Base-Backbone interact. energy: -0.125 local terms energy: -201.235433 where: bonds (distance) C4'-P energy: -54.609 bonds (distance) P-C4' energy: -55.056 flat angles C4'-P-C4' energy: -52.780 flat angles P-C4'-P energy: -32.763 tors. eta vs tors. theta energy: -6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1228.598636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.598636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.598636 (E_RNA) where: Base-Base interactions energy: -871.173 where: short stacking energy: -336.787 Base-Backbone interact. energy: 2.747 local terms energy: -360.171948 where: bonds (distance) C4'-P energy: -57.036 bonds (distance) P-C4' energy: -78.016 flat angles C4'-P-C4' energy: -78.187 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -90.935 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: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1168.922741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.922741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.922741 (E_RNA) where: Base-Base interactions energy: -799.310 where: short stacking energy: -334.269 Base-Backbone interact. energy: 0.393 local terms energy: -370.005526 where: bonds (distance) C4'-P energy: -74.691 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -77.973 flat angles P-C4'-P energy: -51.657 tors. eta vs tors. theta energy: -97.484 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: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1116.276157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.276157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.276157 (E_RNA) where: Base-Base interactions energy: -763.597 where: short stacking energy: -328.237 Base-Backbone interact. energy: -3.337 local terms energy: -349.341943 where: bonds (distance) C4'-P energy: -63.665 bonds (distance) P-C4' energy: -63.173 flat angles C4'-P-C4' energy: -83.430 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: -94.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1039.876260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.876260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.876260 (E_RNA) where: Base-Base interactions energy: -693.240 where: short stacking energy: -310.085 Base-Backbone interact. energy: 2.612 local terms energy: -349.248698 where: bonds (distance) C4'-P energy: -65.134 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -74.401 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -92.478 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: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -942.763073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.763073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.763073 (E_RNA) where: Base-Base interactions energy: -626.722 where: short stacking energy: -265.625 Base-Backbone interact. energy: 1.998 local terms energy: -318.039046 where: bonds (distance) C4'-P energy: -55.139 bonds (distance) P-C4' energy: -79.091 flat angles C4'-P-C4' energy: -69.365 flat angles P-C4'-P energy: -41.557 tors. eta vs tors. theta energy: -72.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -854.260360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.260360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.260360 (E_RNA) where: Base-Base interactions energy: -545.938 where: short stacking energy: -253.546 Base-Backbone interact. energy: 0.866 local terms energy: -309.188294 where: bonds (distance) C4'-P energy: -61.249 bonds (distance) P-C4' energy: -61.636 flat angles C4'-P-C4' energy: -66.699 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -72.934 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: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -770.013527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.013527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.013527 (E_RNA) where: Base-Base interactions energy: -454.525 where: short stacking energy: -233.951 Base-Backbone interact. energy: 0.750 local terms energy: -316.238186 where: bonds (distance) C4'-P energy: -75.334 bonds (distance) P-C4' energy: -75.004 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -37.891 tors. eta vs tors. theta energy: -55.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -604.376143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.376143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.376143 (E_RNA) where: Base-Base interactions energy: -344.375 where: short stacking energy: -177.736 Base-Backbone interact. energy: 0.078 local terms energy: -260.078536 where: bonds (distance) C4'-P energy: -50.957 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -69.647 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -39.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -385.299205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.299205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.299205 (E_RNA) where: Base-Base interactions energy: -166.108 where: short stacking energy: -120.281 Base-Backbone interact. energy: 1.650 local terms energy: -220.841127 where: bonds (distance) C4'-P energy: -46.601 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -54.571 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -10.093 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: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -348.353664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.353664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.353664 (E_RNA) where: Base-Base interactions energy: -168.770 where: short stacking energy: -102.870 Base-Backbone interact. energy: 6.396 local terms energy: -185.978833 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -74.539 flat angles C4'-P-C4' energy: -53.500 flat angles P-C4'-P energy: -17.766 tors. eta vs tors. theta energy: 16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1238.560172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.560172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.560172 (E_RNA) where: Base-Base interactions energy: -882.801 where: short stacking energy: -335.990 Base-Backbone interact. energy: 3.791 local terms energy: -359.549412 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -82.346 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -93.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1171.373489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.373489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.373489 (E_RNA) where: Base-Base interactions energy: -792.248 where: short stacking energy: -355.112 Base-Backbone interact. energy: -1.925 local terms energy: -377.200077 where: bonds (distance) C4'-P energy: -66.867 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -56.014 tors. eta vs tors. theta energy: -100.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1114.810169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.810169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.810169 (E_RNA) where: Base-Base interactions energy: -750.583 where: short stacking energy: -333.229 Base-Backbone interact. energy: -0.423 local terms energy: -363.804804 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -79.729 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: -104.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -958.409769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.409769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.409769 (E_RNA) where: Base-Base interactions energy: -633.332 where: short stacking energy: -274.967 Base-Backbone interact. energy: -0.691 local terms energy: -324.387371 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -75.673 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -79.007 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: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -997.723385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.723385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.723385 (E_RNA) where: Base-Base interactions energy: -661.330 where: short stacking energy: -273.844 Base-Backbone interact. energy: -1.919 local terms energy: -334.475006 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -74.222 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -71.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -808.237445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.237445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.237445 (E_RNA) where: Base-Base interactions energy: -507.352 where: short stacking energy: -232.943 Base-Backbone interact. energy: -2.691 local terms energy: -298.195092 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -60.059 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -57.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -678.328934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.328934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.328934 (E_RNA) where: Base-Base interactions energy: -424.539 where: short stacking energy: -201.056 Base-Backbone interact. energy: 0.396 local terms energy: -254.185528 where: bonds (distance) C4'-P energy: -58.460 bonds (distance) P-C4' energy: -64.910 flat angles C4'-P-C4' energy: -60.066 flat angles P-C4'-P energy: -36.029 tors. eta vs tors. theta energy: -34.720 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: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -632.951882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.951882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.951882 (E_RNA) where: Base-Base interactions energy: -374.766 where: short stacking energy: -171.756 Base-Backbone interact. energy: -2.407 local terms energy: -255.778893 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -69.488 flat angles C4'-P-C4' energy: -56.169 flat angles P-C4'-P energy: -32.220 tors. eta vs tors. theta energy: -34.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -398.453357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.453357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.453357 (E_RNA) where: Base-Base interactions energy: -186.899 where: short stacking energy: -104.042 Base-Backbone interact. energy: 0.482 local terms energy: -212.035704 where: bonds (distance) C4'-P energy: -65.596 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -41.055 flat angles P-C4'-P energy: -32.734 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -322.413361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.413361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.413361 (E_RNA) where: Base-Base interactions energy: -127.291 where: short stacking energy: -80.392 Base-Backbone interact. energy: -0.023 local terms energy: -195.099804 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -67.572 flat angles C4'-P-C4' energy: -47.035 flat angles P-C4'-P energy: -33.789 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: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1233.160791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.160791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.160791 (E_RNA) where: Base-Base interactions energy: -870.954 where: short stacking energy: -339.824 Base-Backbone interact. energy: 3.331 local terms energy: -365.537167 where: bonds (distance) C4'-P energy: -69.980 bonds (distance) P-C4' energy: -71.851 flat angles C4'-P-C4' energy: -80.347 flat angles P-C4'-P energy: -50.050 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: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1187.013940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.013940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.013940 (E_RNA) where: Base-Base interactions energy: -820.771 where: short stacking energy: -354.147 Base-Backbone interact. energy: -0.655 local terms energy: -365.588255 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -80.165 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: -107.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1095.901842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.901842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.901842 (E_RNA) where: Base-Base interactions energy: -730.866 where: short stacking energy: -324.631 Base-Backbone interact. energy: -2.153 local terms energy: -362.883374 where: bonds (distance) C4'-P energy: -65.723 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -81.451 flat angles P-C4'-P energy: -48.103 tors. eta vs tors. theta energy: -98.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -953.802784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.802784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.802784 (E_RNA) where: Base-Base interactions energy: -624.242 where: short stacking energy: -289.614 Base-Backbone interact. energy: -1.643 local terms energy: -327.917895 where: bonds (distance) C4'-P energy: -54.528 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -80.411 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: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -983.749929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.749929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.749929 (E_RNA) where: Base-Base interactions energy: -660.608 where: short stacking energy: -285.397 Base-Backbone interact. energy: -0.826 local terms energy: -322.316463 where: bonds (distance) C4'-P energy: -64.303 bonds (distance) P-C4' energy: -46.021 flat angles C4'-P-C4' energy: -76.914 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -87.452 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -830.208401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.208401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.208401 (E_RNA) where: Base-Base interactions energy: -519.329 where: short stacking energy: -254.443 Base-Backbone interact. energy: 2.040 local terms energy: -312.919025 where: bonds (distance) C4'-P energy: -63.802 bonds (distance) P-C4' energy: -73.094 flat angles C4'-P-C4' energy: -72.977 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -56.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -716.964027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.964027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.964027 (E_RNA) where: Base-Base interactions energy: -451.370 where: short stacking energy: -206.132 Base-Backbone interact. energy: -0.745 local terms energy: -264.848276 where: bonds (distance) C4'-P energy: -54.340 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -60.340 flat angles P-C4'-P energy: -43.032 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: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -583.234008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.234008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.234008 (E_RNA) where: Base-Base interactions energy: -335.745 where: short stacking energy: -145.450 Base-Backbone interact. energy: -2.246 local terms energy: -245.243348 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -58.320 flat angles C4'-P-C4' energy: -62.025 flat angles P-C4'-P energy: -43.224 tors. eta vs tors. theta energy: -27.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -380.648538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.648538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.648538 (E_RNA) where: Base-Base interactions energy: -183.638 where: short stacking energy: -114.521 Base-Backbone interact. energy: -1.764 local terms energy: -195.246202 where: bonds (distance) C4'-P energy: -54.646 bonds (distance) P-C4' energy: -66.234 flat angles C4'-P-C4' energy: -52.903 flat angles P-C4'-P energy: -25.592 tors. eta vs tors. theta energy: 4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -374.364853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.364853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.364853 (E_RNA) where: Base-Base interactions energy: -175.296 where: short stacking energy: -112.617 Base-Backbone interact. energy: -0.519 local terms energy: -198.550041 where: bonds (distance) C4'-P energy: -47.732 bonds (distance) P-C4' energy: -71.075 flat angles C4'-P-C4' energy: -27.164 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -16.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1227.672596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.672596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.672596 (E_RNA) where: Base-Base interactions energy: -873.662 where: short stacking energy: -352.132 Base-Backbone interact. energy: -0.163 local terms energy: -353.848569 where: bonds (distance) C4'-P energy: -70.400 bonds (distance) P-C4' energy: -75.756 flat angles C4'-P-C4' energy: -74.946 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -90.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1165.982834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.982834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.982834 (E_RNA) where: Base-Base interactions energy: -800.038 where: short stacking energy: -354.777 Base-Backbone interact. energy: -0.467 local terms energy: -365.478495 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -98.968 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1105.052885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.052885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.052885 (E_RNA) where: Base-Base interactions energy: -742.329 where: short stacking energy: -320.246 Base-Backbone interact. energy: 0.386 local terms energy: -363.110095 where: bonds (distance) C4'-P energy: -61.793 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -68.284 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -106.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -996.556657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.556657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.556657 (E_RNA) where: Base-Base interactions energy: -653.686 where: short stacking energy: -282.147 Base-Backbone interact. energy: -1.008 local terms energy: -341.862051 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -75.100 flat angles C4'-P-C4' energy: -68.711 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -85.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -935.282278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.282278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.282278 (E_RNA) where: Base-Base interactions energy: -622.441 where: short stacking energy: -282.187 Base-Backbone interact. energy: -0.741 local terms energy: -312.099361 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -56.598 flat angles C4'-P-C4' energy: -66.164 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -77.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -819.237469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.237469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.237469 (E_RNA) where: Base-Base interactions energy: -525.061 where: short stacking energy: -243.018 Base-Backbone interact. energy: -0.295 local terms energy: -293.881742 where: bonds (distance) C4'-P energy: -52.777 bonds (distance) P-C4' energy: -73.531 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -57.498 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: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -683.733061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.733061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.733061 (E_RNA) where: Base-Base interactions energy: -398.391 where: short stacking energy: -209.896 Base-Backbone interact. energy: -1.884 local terms energy: -283.458326 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -74.947 flat angles P-C4'-P energy: -33.269 tors. eta vs tors. theta energy: -57.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -606.966340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.966340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.966340 (E_RNA) where: Base-Base interactions energy: -369.361 where: short stacking energy: -165.135 Base-Backbone interact. energy: -0.420 local terms energy: -237.185034 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -57.725 flat angles C4'-P-C4' energy: -44.340 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -32.173 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: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -356.660025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.660025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.660025 (E_RNA) where: Base-Base interactions energy: -145.948 where: short stacking energy: -101.614 Base-Backbone interact. energy: 0.110 local terms energy: -210.822068 where: bonds (distance) C4'-P energy: -63.619 bonds (distance) P-C4' energy: -75.101 flat angles C4'-P-C4' energy: -44.856 flat angles P-C4'-P energy: -30.808 tors. eta vs tors. theta energy: 3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -371.508448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.508448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.508448 (E_RNA) where: Base-Base interactions energy: -170.390 where: short stacking energy: -103.698 Base-Backbone interact. energy: -0.126 local terms energy: -200.992460 where: bonds (distance) C4'-P energy: -54.444 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -30.493 tors. eta vs tors. theta energy: 5.984 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: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1230.826765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.826765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.826765 (E_RNA) where: Base-Base interactions energy: -872.983 where: short stacking energy: -332.936 Base-Backbone interact. energy: -1.528 local terms energy: -356.315225 where: bonds (distance) C4'-P energy: -71.449 bonds (distance) P-C4' energy: -65.738 flat angles C4'-P-C4' energy: -73.289 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -95.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1162.669032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.669032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.669032 (E_RNA) where: Base-Base interactions energy: -788.362 where: short stacking energy: -350.406 Base-Backbone interact. energy: -0.552 local terms energy: -373.755231 where: bonds (distance) C4'-P energy: -66.370 bonds (distance) P-C4' energy: -72.028 flat angles C4'-P-C4' energy: -80.605 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1024.086661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.086661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.086661 (E_RNA) where: Base-Base interactions energy: -680.528 where: short stacking energy: -290.646 Base-Backbone interact. energy: -1.258 local terms energy: -342.301260 where: bonds (distance) C4'-P energy: -70.625 bonds (distance) P-C4' energy: -69.090 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -80.252 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1082.855454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.855454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.855454 (E_RNA) where: Base-Base interactions energy: -727.605 where: short stacking energy: -315.469 Base-Backbone interact. energy: -0.023 local terms energy: -355.227962 where: bonds (distance) C4'-P energy: -66.782 bonds (distance) P-C4' energy: -61.745 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: -100.631 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: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -918.371513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.371513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.371513 (E_RNA) where: Base-Base interactions energy: -590.756 where: short stacking energy: -272.982 Base-Backbone interact. energy: -0.912 local terms energy: -326.703383 where: bonds (distance) C4'-P energy: -65.807 bonds (distance) P-C4' energy: -67.557 flat angles C4'-P-C4' energy: -67.859 flat angles P-C4'-P energy: -52.261 tors. eta vs tors. theta energy: -73.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -804.223629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.223629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.223629 (E_RNA) where: Base-Base interactions energy: -516.865 where: short stacking energy: -229.805 Base-Backbone interact. energy: 1.264 local terms energy: -288.622403 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -67.795 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -47.660 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: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -705.601924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.601924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.601924 (E_RNA) where: Base-Base interactions energy: -451.951 where: short stacking energy: -207.465 Base-Backbone interact. energy: -3.152 local terms energy: -250.498833 where: bonds (distance) C4'-P energy: -54.318 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -56.589 flat angles P-C4'-P energy: -37.639 tors. eta vs tors. theta energy: -42.273 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: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -627.664954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.664954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.664954 (E_RNA) where: Base-Base interactions energy: -354.079 where: short stacking energy: -162.122 Base-Backbone interact. energy: -0.981 local terms energy: -272.604540 where: bonds (distance) C4'-P energy: -73.684 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -60.235 flat angles P-C4'-P energy: -40.602 tors. eta vs tors. theta energy: -31.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -394.944590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.944590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.944590 (E_RNA) where: Base-Base interactions energy: -189.098 where: short stacking energy: -113.158 Base-Backbone interact. energy: -0.444 local terms energy: -205.402785 where: bonds (distance) C4'-P energy: -61.690 bonds (distance) P-C4' energy: -58.429 flat angles C4'-P-C4' energy: -59.172 flat angles P-C4'-P energy: -24.271 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -341.723371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.723371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.723371 (E_RNA) where: Base-Base interactions energy: -165.565 where: short stacking energy: -89.081 Base-Backbone interact. energy: 2.499 local terms energy: -178.656854 where: bonds (distance) C4'-P energy: -47.250 bonds (distance) P-C4' energy: -50.327 flat angles C4'-P-C4' energy: -53.965 flat angles P-C4'-P energy: -30.626 tors. eta vs tors. theta energy: 3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1222.975174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.975174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.975174 (E_RNA) where: Base-Base interactions energy: -861.690 where: short stacking energy: -330.522 Base-Backbone interact. energy: -2.101 local terms energy: -359.184129 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -74.279 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -96.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1142.147102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.147102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.147102 (E_RNA) where: Base-Base interactions energy: -792.905 where: short stacking energy: -346.778 Base-Backbone interact. energy: -1.102 local terms energy: -348.139928 where: bonds (distance) C4'-P energy: -59.514 bonds (distance) P-C4' energy: -70.017 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -98.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1064.408574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.408574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.408574 (E_RNA) where: Base-Base interactions energy: -696.540 where: short stacking energy: -303.185 Base-Backbone interact. energy: -1.757 local terms energy: -366.111423 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -75.069 flat angles P-C4'-P energy: -52.599 tors. eta vs tors. theta energy: -89.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1060.327968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.327968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.327968 (E_RNA) where: Base-Base interactions energy: -709.745 where: short stacking energy: -297.528 Base-Backbone interact. energy: 0.753 local terms energy: -351.336260 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -57.348 flat angles C4'-P-C4' energy: -83.386 flat angles P-C4'-P energy: -55.721 tors. eta vs tors. theta energy: -92.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -941.274085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.274085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.274085 (E_RNA) where: Base-Base interactions energy: -616.792 where: short stacking energy: -277.325 Base-Backbone interact. energy: 0.790 local terms energy: -325.271256 where: bonds (distance) C4'-P energy: -71.482 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -80.527 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -68.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -844.531239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.531239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.531239 (E_RNA) where: Base-Base interactions energy: -539.342 where: short stacking energy: -235.833 Base-Backbone interact. energy: -3.320 local terms energy: -301.869762 where: bonds (distance) C4'-P energy: -62.784 bonds (distance) P-C4' energy: -77.544 flat angles C4'-P-C4' energy: -64.473 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: -54.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -724.182592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.182592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.182592 (E_RNA) where: Base-Base interactions energy: -476.027 where: short stacking energy: -230.856 Base-Backbone interact. energy: -0.880 local terms energy: -247.274913 where: bonds (distance) C4'-P energy: -56.955 bonds (distance) P-C4' energy: -49.942 flat angles C4'-P-C4' energy: -69.022 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: -38.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -589.377154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.377154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.377154 (E_RNA) where: Base-Base interactions energy: -330.646 where: short stacking energy: -150.553 Base-Backbone interact. energy: -1.761 local terms energy: -256.970065 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -60.197 flat angles C4'-P-C4' energy: -69.216 flat angles P-C4'-P energy: -23.302 tors. eta vs tors. theta energy: -39.525 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: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -390.661757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.661757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.661757 (E_RNA) where: Base-Base interactions energy: -179.169 where: short stacking energy: -95.014 Base-Backbone interact. energy: -0.444 local terms energy: -211.048699 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -50.742 flat angles P-C4'-P energy: -26.630 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -323.032047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.032047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.032047 (E_RNA) where: Base-Base interactions energy: -132.254 where: short stacking energy: -73.666 Base-Backbone interact. energy: -1.947 local terms energy: -188.830903 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -58.070 flat angles C4'-P-C4' energy: -50.548 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: 19.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1244.078015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.078015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.078015 (E_RNA) where: Base-Base interactions energy: -871.625 where: short stacking energy: -338.682 Base-Backbone interact. energy: -3.126 local terms energy: -369.326608 where: bonds (distance) C4'-P energy: -75.106 bonds (distance) P-C4' energy: -73.218 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -98.129 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: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1158.337343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.337343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.337343 (E_RNA) where: Base-Base interactions energy: -792.644 where: short stacking energy: -321.209 Base-Backbone interact. energy: -2.583 local terms energy: -363.111238 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -70.447 flat angles C4'-P-C4' energy: -83.768 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -96.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1051.288869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.288869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.288869 (E_RNA) where: Base-Base interactions energy: -703.997 where: short stacking energy: -311.502 Base-Backbone interact. energy: -1.272 local terms energy: -346.019078 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -80.202 flat angles P-C4'-P energy: -40.764 tors. eta vs tors. theta energy: -85.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1050.583246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.583246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.583246 (E_RNA) where: Base-Base interactions energy: -703.522 where: short stacking energy: -302.086 Base-Backbone interact. energy: -1.947 local terms energy: -345.113431 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -63.163 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: -87.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -916.675958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.675958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.675958 (E_RNA) where: Base-Base interactions energy: -611.410 where: short stacking energy: -272.538 Base-Backbone interact. energy: -0.139 local terms energy: -305.127520 where: bonds (distance) C4'-P energy: -49.210 bonds (distance) P-C4' energy: -71.544 flat angles C4'-P-C4' energy: -66.785 flat angles P-C4'-P energy: -41.742 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -784.112877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.112877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.112877 (E_RNA) where: Base-Base interactions energy: -500.765 where: short stacking energy: -225.720 Base-Backbone interact. energy: -0.970 local terms energy: -282.377617 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -71.989 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -36.545 tors. eta vs tors. theta energy: -54.006 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: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -738.871169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.871169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.871169 (E_RNA) where: Base-Base interactions energy: -460.979 where: short stacking energy: -207.983 Base-Backbone interact. energy: 0.437 local terms energy: -278.329238 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -59.656 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: -41.141 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: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -566.133554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.133554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.133554 (E_RNA) where: Base-Base interactions energy: -339.307 where: short stacking energy: -172.801 Base-Backbone interact. energy: -0.679 local terms energy: -226.147366 where: bonds (distance) C4'-P energy: -51.576 bonds (distance) P-C4' energy: -57.178 flat angles C4'-P-C4' energy: -49.167 flat angles P-C4'-P energy: -45.440 tors. eta vs tors. theta energy: -22.786 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: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -375.758706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.758706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.758706 (E_RNA) where: Base-Base interactions energy: -160.428 where: short stacking energy: -98.695 Base-Backbone interact. energy: 1.377 local terms energy: -216.707056 where: bonds (distance) C4'-P energy: -56.741 bonds (distance) P-C4' energy: -63.179 flat angles C4'-P-C4' energy: -51.655 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: 5.625 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: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -281.635463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.635463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.635463 (E_RNA) where: Base-Base interactions energy: -99.367 where: short stacking energy: -71.187 Base-Backbone interact. energy: -2.317 local terms energy: -179.951537 where: bonds (distance) C4'-P energy: -47.486 bonds (distance) P-C4' energy: -69.091 flat angles C4'-P-C4' energy: -49.157 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: 20.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1233.742209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.742209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.742209 (E_RNA) where: Base-Base interactions energy: -860.310 where: short stacking energy: -333.740 Base-Backbone interact. energy: -1.778 local terms energy: -371.653631 where: bonds (distance) C4'-P energy: -66.052 bonds (distance) P-C4' energy: -77.150 flat angles C4'-P-C4' energy: -71.344 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -99.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1178.505187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.505187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.505187 (E_RNA) where: Base-Base interactions energy: -802.963 where: short stacking energy: -335.766 Base-Backbone interact. energy: -1.755 local terms energy: -373.786792 where: bonds (distance) C4'-P energy: -70.639 bonds (distance) P-C4' energy: -75.067 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -48.668 tors. eta vs tors. theta energy: -101.791 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: 101 Temperature: 1.000000 Total energy: -1048.713165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.713165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.713165 (E_RNA) where: Base-Base interactions energy: -723.156 where: short stacking energy: -305.661 Base-Backbone interact. energy: -2.670 local terms energy: -322.887493 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -76.677 flat angles P-C4'-P energy: -23.822 tors. eta vs tors. theta energy: -83.828 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: 101 Temperature: 1.050000 Total energy: -1049.652199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.652199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.652199 (E_RNA) where: Base-Base interactions energy: -688.043 where: short stacking energy: -296.649 Base-Backbone interact. energy: -1.205 local terms energy: -360.404311 where: bonds (distance) C4'-P energy: -67.213 bonds (distance) P-C4' energy: -74.083 flat angles C4'-P-C4' energy: -83.503 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -85.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -934.321111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.321111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.321111 (E_RNA) where: Base-Base interactions energy: -612.078 where: short stacking energy: -272.973 Base-Backbone interact. energy: -2.072 local terms energy: -320.171858 where: bonds (distance) C4'-P energy: -64.459 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -69.045 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -70.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -806.200258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.200258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.200258 (E_RNA) where: Base-Base interactions energy: -499.989 where: short stacking energy: -243.563 Base-Backbone interact. energy: 3.148 local terms energy: -309.359090 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -80.554 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -66.464 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: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -731.797077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.797077 (E_RNA) where: Base-Base interactions energy: -470.094 where: short stacking energy: -231.477 Base-Backbone interact. energy: -0.593 local terms energy: -261.110076 where: bonds (distance) C4'-P energy: -49.551 bonds (distance) P-C4' energy: -52.597 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -38.190 tors. eta vs tors. theta energy: -58.316 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -545.650610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.650610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.650610 (E_RNA) where: Base-Base interactions energy: -302.542 where: short stacking energy: -122.906 Base-Backbone interact. energy: -2.040 local terms energy: -241.068427 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -65.780 flat angles C4'-P-C4' energy: -56.853 flat angles P-C4'-P energy: -38.457 tors. eta vs tors. theta energy: -15.909 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: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -357.095857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.095857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.095857 (E_RNA) where: Base-Base interactions energy: -131.974 where: short stacking energy: -94.793 Base-Backbone interact. energy: -1.151 local terms energy: -223.971425 where: bonds (distance) C4'-P energy: -73.534 bonds (distance) P-C4' energy: -52.469 flat angles C4'-P-C4' energy: -65.552 flat angles P-C4'-P energy: -27.679 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -305.591544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.591544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.591544 (E_RNA) where: Base-Base interactions energy: -116.840 where: short stacking energy: -78.119 Base-Backbone interact. energy: 4.097 local terms energy: -192.848752 where: bonds (distance) C4'-P energy: -58.769 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -48.871 flat angles P-C4'-P energy: -26.723 tors. eta vs tors. theta energy: 6.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1237.141699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.141699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.141699 (E_RNA) where: Base-Base interactions energy: -856.465 where: short stacking energy: -337.239 Base-Backbone interact. energy: -0.113 local terms energy: -380.563245 where: bonds (distance) C4'-P energy: -73.003 bonds (distance) P-C4' energy: -77.150 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -95.760 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: 102 Temperature: 0.950000 Total energy: -1188.957335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.957335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.957335 (E_RNA) where: Base-Base interactions energy: -826.288 where: short stacking energy: -375.340 Base-Backbone interact. energy: -0.866 local terms energy: -361.803344 where: bonds (distance) C4'-P energy: -68.305 bonds (distance) P-C4' energy: -63.680 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -54.187 tors. eta vs tors. theta energy: -101.729 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: 102 Temperature: 1.000000 Total energy: -1081.616841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.616841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.616841 (E_RNA) where: Base-Base interactions energy: -723.409 where: short stacking energy: -334.501 Base-Backbone interact. energy: -1.601 local terms energy: -356.606694 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -80.006 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -94.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1026.445126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.445126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.445126 (E_RNA) where: Base-Base interactions energy: -664.651 where: short stacking energy: -297.441 Base-Backbone interact. energy: -1.640 local terms energy: -360.154109 where: bonds (distance) C4'-P energy: -54.609 bonds (distance) P-C4' energy: -79.879 flat angles C4'-P-C4' energy: -74.925 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: -97.332 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: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -893.639026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.639026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.639026 (E_RNA) where: Base-Base interactions energy: -584.177 where: short stacking energy: -264.569 Base-Backbone interact. energy: -1.503 local terms energy: -307.958953 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -71.775 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -64.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -841.956849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.956849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.956849 (E_RNA) where: Base-Base interactions energy: -527.460 where: short stacking energy: -231.581 Base-Backbone interact. energy: -1.687 local terms energy: -312.810253 where: bonds (distance) C4'-P energy: -63.284 bonds (distance) P-C4' energy: -59.516 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -50.708 tors. eta vs tors. theta energy: -69.822 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: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -744.871119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.871119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.871119 (E_RNA) where: Base-Base interactions energy: -470.589 where: short stacking energy: -210.133 Base-Backbone interact. energy: -1.862 local terms energy: -272.419860 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -64.740 flat angles C4'-P-C4' energy: -74.103 flat angles P-C4'-P energy: -30.439 tors. eta vs tors. theta energy: -45.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -534.979164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.979164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.979164 (E_RNA) where: Base-Base interactions energy: -293.276 where: short stacking energy: -148.974 Base-Backbone interact. energy: 0.152 local terms energy: -241.855335 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -47.603 flat angles C4'-P-C4' energy: -59.202 flat angles P-C4'-P energy: -31.569 tors. eta vs tors. theta energy: -40.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -327.935551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.935551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.935551 (E_RNA) where: Base-Base interactions energy: -115.855 where: short stacking energy: -97.843 Base-Backbone interact. energy: -0.189 local terms energy: -211.891224 where: bonds (distance) C4'-P energy: -54.927 bonds (distance) P-C4' energy: -71.543 flat angles C4'-P-C4' energy: -55.424 flat angles P-C4'-P energy: -29.477 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -296.256714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.256714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.256714 (E_RNA) where: Base-Base interactions energy: -96.139 where: short stacking energy: -82.036 Base-Backbone interact. energy: 1.741 local terms energy: -201.858878 where: bonds (distance) C4'-P energy: -55.037 bonds (distance) P-C4' energy: -69.672 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -27.729 tors. eta vs tors. theta energy: 2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1233.041276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.041276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.041276 (E_RNA) where: Base-Base interactions energy: -862.972 where: short stacking energy: -336.098 Base-Backbone interact. energy: -0.027 local terms energy: -370.041499 where: bonds (distance) C4'-P energy: -64.714 bonds (distance) P-C4' energy: -73.758 flat angles C4'-P-C4' energy: -83.231 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -86.418 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: 103 Temperature: 0.950000 Total energy: -1181.706260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.706260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.706260 (E_RNA) where: Base-Base interactions energy: -802.247 where: short stacking energy: -339.650 Base-Backbone interact. energy: -2.807 local terms energy: -376.652052 where: bonds (distance) C4'-P energy: -74.801 bonds (distance) P-C4' energy: -75.876 flat angles C4'-P-C4' energy: -83.511 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -90.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1052.167300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.167300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.167300 (E_RNA) where: Base-Base interactions energy: -723.785 where: short stacking energy: -316.779 Base-Backbone interact. energy: 1.536 local terms energy: -329.918214 where: bonds (distance) C4'-P energy: -58.663 bonds (distance) P-C4' energy: -65.163 flat angles C4'-P-C4' energy: -74.147 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: -92.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1014.611249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.611249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.611249 (E_RNA) where: Base-Base interactions energy: -673.376 where: short stacking energy: -279.617 Base-Backbone interact. energy: -4.866 local terms energy: -336.369278 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -48.090 tors. eta vs tors. theta energy: -80.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -894.573438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.573438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.573438 (E_RNA) where: Base-Base interactions energy: -588.311 where: short stacking energy: -273.029 Base-Backbone interact. energy: -1.516 local terms energy: -304.746409 where: bonds (distance) C4'-P energy: -66.514 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -59.284 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: -75.631 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: 103 Temperature: 1.150000 Total energy: -823.860983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.860983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.860983 (E_RNA) where: Base-Base interactions energy: -529.858 where: short stacking energy: -257.509 Base-Backbone interact. energy: -2.414 local terms energy: -291.589167 where: bonds (distance) C4'-P energy: -52.985 bonds (distance) P-C4' energy: -66.061 flat angles C4'-P-C4' energy: -68.705 flat angles P-C4'-P energy: -36.381 tors. eta vs tors. theta energy: -67.457 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: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -743.223718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.223718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.223718 (E_RNA) where: Base-Base interactions energy: -451.193 where: short stacking energy: -212.119 Base-Backbone interact. energy: -1.268 local terms energy: -290.763530 where: bonds (distance) C4'-P energy: -61.283 bonds (distance) P-C4' energy: -74.090 flat angles C4'-P-C4' energy: -61.650 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -46.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -576.247896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.247896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.247896 (E_RNA) where: Base-Base interactions energy: -336.386 where: short stacking energy: -160.295 Base-Backbone interact. energy: -1.741 local terms energy: -238.120516 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -67.066 flat angles C4'-P-C4' energy: -58.885 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: -17.771 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: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -314.612789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.612789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.612789 (E_RNA) where: Base-Base interactions energy: -110.386 where: short stacking energy: -88.910 Base-Backbone interact. energy: -0.569 local terms energy: -203.657725 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -51.054 flat angles C4'-P-C4' energy: -51.001 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -296.327970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.327970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.327970 (E_RNA) where: Base-Base interactions energy: -83.430 where: short stacking energy: -68.594 Base-Backbone interact. energy: -0.502 local terms energy: -212.395862 where: bonds (distance) C4'-P energy: -74.723 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -52.482 flat angles P-C4'-P energy: -28.987 tors. eta vs tors. theta energy: 7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1200.354307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.354307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.354307 (E_RNA) where: Base-Base interactions energy: -834.987 where: short stacking energy: -328.787 Base-Backbone interact. energy: -0.722 local terms energy: -364.645451 where: bonds (distance) C4'-P energy: -63.839 bonds (distance) P-C4' energy: -72.479 flat angles C4'-P-C4' energy: -82.115 flat angles P-C4'-P energy: -52.070 tors. eta vs tors. theta energy: -94.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1178.812270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.812270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.812270 (E_RNA) where: Base-Base interactions energy: -799.034 where: short stacking energy: -363.228 Base-Backbone interact. energy: -0.906 local terms energy: -378.872185 where: bonds (distance) C4'-P energy: -67.125 bonds (distance) P-C4' energy: -81.237 flat angles C4'-P-C4' energy: -74.048 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -108.332 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: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1074.619775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.619775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.619775 (E_RNA) where: Base-Base interactions energy: -731.131 where: short stacking energy: -314.167 Base-Backbone interact. energy: -0.793 local terms energy: -342.695083 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -42.380 tors. eta vs tors. theta energy: -89.253 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: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1031.825384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.825384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.825384 (E_RNA) where: Base-Base interactions energy: -704.429 where: short stacking energy: -281.287 Base-Backbone interact. energy: -2.452 local terms energy: -324.944639 where: bonds (distance) C4'-P energy: -68.599 bonds (distance) P-C4' energy: -62.720 flat angles C4'-P-C4' energy: -70.840 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: -87.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -912.584171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.584171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.584171 (E_RNA) where: Base-Base interactions energy: -599.611 where: short stacking energy: -279.513 Base-Backbone interact. energy: -0.523 local terms energy: -312.450354 where: bonds (distance) C4'-P energy: -63.623 bonds (distance) P-C4' energy: -67.018 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -78.431 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: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -790.754166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.754166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.754166 (E_RNA) where: Base-Base interactions energy: -493.790 where: short stacking energy: -226.861 Base-Backbone interact. energy: -1.636 local terms energy: -295.328192 where: bonds (distance) C4'-P energy: -67.808 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -40.828 tors. eta vs tors. theta energy: -59.328 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: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -805.859461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.859461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.859461 (E_RNA) where: Base-Base interactions energy: -525.824 where: short stacking energy: -232.814 Base-Backbone interact. energy: -2.464 local terms energy: -277.570863 where: bonds (distance) C4'-P energy: -43.462 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -64.528 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -64.614 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: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -561.533984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.533984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.533984 (E_RNA) where: Base-Base interactions energy: -308.351 where: short stacking energy: -144.990 Base-Backbone interact. energy: 1.477 local terms energy: -254.660549 where: bonds (distance) C4'-P energy: -53.408 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -25.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -313.260951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.260951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.260951 (E_RNA) where: Base-Base interactions energy: -119.362 where: short stacking energy: -88.455 Base-Backbone interact. energy: 0.904 local terms energy: -194.803704 where: bonds (distance) C4'-P energy: -62.066 bonds (distance) P-C4' energy: -60.795 flat angles C4'-P-C4' energy: -55.145 flat angles P-C4'-P energy: -36.135 tors. eta vs tors. theta energy: 19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -300.717155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.717155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.717155 (E_RNA) where: Base-Base interactions energy: -101.607 where: short stacking energy: -80.199 Base-Backbone interact. energy: -0.457 local terms energy: -198.653538 where: bonds (distance) C4'-P energy: -66.220 bonds (distance) P-C4' energy: -62.917 flat angles C4'-P-C4' energy: -58.257 flat angles P-C4'-P energy: -20.429 tors. eta vs tors. theta energy: 9.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1235.712279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.712279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.712279 (E_RNA) where: Base-Base interactions energy: -860.696 where: short stacking energy: -350.098 Base-Backbone interact. energy: -1.838 local terms energy: -373.177654 where: bonds (distance) C4'-P energy: -67.681 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -86.039 flat angles P-C4'-P energy: -48.689 tors. eta vs tors. theta energy: -95.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1120.683398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.683398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.683398 (E_RNA) where: Base-Base interactions energy: -756.329 where: short stacking energy: -338.557 Base-Backbone interact. energy: -0.707 local terms energy: -363.647604 where: bonds (distance) C4'-P energy: -70.959 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -78.912 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -99.799 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: 105 Temperature: 1.000000 Total energy: -1162.678703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.678703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.678703 (E_RNA) where: Base-Base interactions energy: -809.749 where: short stacking energy: -347.863 Base-Backbone interact. energy: 0.874 local terms energy: -353.803153 where: bonds (distance) C4'-P energy: -63.422 bonds (distance) P-C4' energy: -74.733 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -104.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1031.797428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.797428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.797428 (E_RNA) where: Base-Base interactions energy: -694.294 where: short stacking energy: -294.424 Base-Backbone interact. energy: -1.802 local terms energy: -335.701754 where: bonds (distance) C4'-P energy: -67.939 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -81.900 flat angles P-C4'-P energy: -34.885 tors. eta vs tors. theta energy: -81.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -931.984546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.984546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.984546 (E_RNA) where: Base-Base interactions energy: -618.609 where: short stacking energy: -260.897 Base-Backbone interact. energy: 0.975 local terms energy: -314.349738 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -71.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -784.434520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.434520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.434520 (E_RNA) where: Base-Base interactions energy: -490.316 where: short stacking energy: -237.799 Base-Backbone interact. energy: -1.628 local terms energy: -292.490835 where: bonds (distance) C4'-P energy: -62.754 bonds (distance) P-C4' energy: -56.757 flat angles C4'-P-C4' energy: -64.576 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -57.638 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: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -795.295767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.295767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.295767 (E_RNA) where: Base-Base interactions energy: -518.386 where: short stacking energy: -222.571 Base-Backbone interact. energy: -0.624 local terms energy: -276.285757 where: bonds (distance) C4'-P energy: -59.862 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -35.227 tors. eta vs tors. theta energy: -57.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -621.891104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.891104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.891104 (E_RNA) where: Base-Base interactions energy: -368.671 where: short stacking energy: -167.413 Base-Backbone interact. energy: -2.697 local terms energy: -250.522474 where: bonds (distance) C4'-P energy: -51.660 bonds (distance) P-C4' energy: -65.622 flat angles C4'-P-C4' energy: -59.404 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -29.065 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: 105 Temperature: 1.300000 Total energy: -320.138283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.138283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.138283 (E_RNA) where: Base-Base interactions energy: -114.935 where: short stacking energy: -82.499 Base-Backbone interact. energy: 2.420 local terms energy: -207.622927 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -52.036 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: 7.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -292.954743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.954743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.954743 (E_RNA) where: Base-Base interactions energy: -92.027 where: short stacking energy: -84.903 Base-Backbone interact. energy: -0.561 local terms energy: -200.367039 where: bonds (distance) C4'-P energy: -64.139 bonds (distance) P-C4' energy: -65.105 flat angles C4'-P-C4' energy: -48.554 flat angles P-C4'-P energy: -17.822 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1227.283179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.283179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.283179 (E_RNA) where: Base-Base interactions energy: -865.075 where: short stacking energy: -333.728 Base-Backbone interact. energy: -1.462 local terms energy: -360.746436 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -69.695 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -56.962 tors. eta vs tors. theta energy: -91.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1143.868346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.868346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.868346 (E_RNA) where: Base-Base interactions energy: -771.501 where: short stacking energy: -352.082 Base-Backbone interact. energy: -0.773 local terms energy: -371.595273 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -69.822 flat angles C4'-P-C4' energy: -75.987 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -110.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1166.568899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.568899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.568899 (E_RNA) where: Base-Base interactions energy: -812.716 where: short stacking energy: -345.270 Base-Backbone interact. energy: 1.325 local terms energy: -355.177750 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -63.805 flat angles C4'-P-C4' energy: -78.027 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -99.649 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: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1004.597131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.597131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.597131 (E_RNA) where: Base-Base interactions energy: -668.077 where: short stacking energy: -304.343 Base-Backbone interact. energy: -1.341 local terms energy: -335.179642 where: bonds (distance) C4'-P energy: -68.704 bonds (distance) P-C4' energy: -73.983 flat angles C4'-P-C4' energy: -70.658 flat angles P-C4'-P energy: -31.167 tors. eta vs tors. theta energy: -90.668 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: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -922.043823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.043823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.043823 (E_RNA) where: Base-Base interactions energy: -612.862 where: short stacking energy: -275.576 Base-Backbone interact. energy: -2.880 local terms energy: -306.302276 where: bonds (distance) C4'-P energy: -61.221 bonds (distance) P-C4' energy: -59.714 flat angles C4'-P-C4' energy: -74.111 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -72.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -781.529185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.529185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.529185 (E_RNA) where: Base-Base interactions energy: -473.508 where: short stacking energy: -223.912 Base-Backbone interact. energy: -1.147 local terms energy: -306.874425 where: bonds (distance) C4'-P energy: -79.589 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -63.009 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -58.989 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: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -749.166822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.166822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.166822 (E_RNA) where: Base-Base interactions energy: -484.517 where: short stacking energy: -210.746 Base-Backbone interact. energy: 2.069 local terms energy: -266.719506 where: bonds (distance) C4'-P energy: -61.336 bonds (distance) P-C4' energy: -68.853 flat angles C4'-P-C4' energy: -61.121 flat angles P-C4'-P energy: -36.533 tors. eta vs tors. theta energy: -38.875 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: 106 Temperature: 1.250000 Total energy: -619.653134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.653134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.653134 (E_RNA) where: Base-Base interactions energy: -376.616 where: short stacking energy: -177.473 Base-Backbone interact. energy: -1.797 local terms energy: -241.240387 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -33.346 tors. eta vs tors. theta energy: -29.467 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: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -336.347697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.347697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.347697 (E_RNA) where: Base-Base interactions energy: -133.090 where: short stacking energy: -77.035 Base-Backbone interact. energy: -0.915 local terms energy: -202.343181 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -64.860 flat angles C4'-P-C4' energy: -58.968 flat angles P-C4'-P energy: -33.385 tors. eta vs tors. theta energy: 8.768 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: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -318.689486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.689486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.689486 (E_RNA) where: Base-Base interactions energy: -127.354 where: short stacking energy: -86.769 Base-Backbone interact. energy: 0.707 local terms energy: -192.043124 where: bonds (distance) C4'-P energy: -51.552 bonds (distance) P-C4' energy: -69.216 flat angles C4'-P-C4' energy: -30.956 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1235.088194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.088194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.088194 (E_RNA) where: Base-Base interactions energy: -870.408 where: short stacking energy: -319.862 Base-Backbone interact. energy: 0.283 local terms energy: -364.963090 where: bonds (distance) C4'-P energy: -73.550 bonds (distance) P-C4' energy: -74.571 flat angles C4'-P-C4' energy: -78.763 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -92.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1150.630067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.630067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.630067 (E_RNA) where: Base-Base interactions energy: -771.005 where: short stacking energy: -338.229 Base-Backbone interact. energy: -2.487 local terms energy: -377.138369 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -69.621 flat angles C4'-P-C4' energy: -81.223 flat angles P-C4'-P energy: -55.293 tors. eta vs tors. theta energy: -103.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1125.054264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.054264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.054264 (E_RNA) where: Base-Base interactions energy: -754.243 where: short stacking energy: -328.550 Base-Backbone interact. energy: -1.639 local terms energy: -369.171674 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -81.804 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -90.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1029.655623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.655623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.655623 (E_RNA) where: Base-Base interactions energy: -692.453 where: short stacking energy: -285.818 Base-Backbone interact. energy: -1.022 local terms energy: -336.180748 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: -85.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -924.636141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.636141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.636141 (E_RNA) where: Base-Base interactions energy: -599.407 where: short stacking energy: -259.604 Base-Backbone interact. energy: -0.995 local terms energy: -324.234148 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -80.192 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: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -729.821780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.821780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.821780 (E_RNA) where: Base-Base interactions energy: -436.655 where: short stacking energy: -195.926 Base-Backbone interact. energy: -0.439 local terms energy: -292.727862 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -71.794 flat angles C4'-P-C4' energy: -71.211 flat angles P-C4'-P energy: -47.014 tors. eta vs tors. theta energy: -36.528 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: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -758.422164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.422164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.422164 (E_RNA) where: Base-Base interactions energy: -495.731 where: short stacking energy: -219.697 Base-Backbone interact. energy: -0.832 local terms energy: -261.859930 where: bonds (distance) C4'-P energy: -44.489 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -65.390 flat angles P-C4'-P energy: -32.893 tors. eta vs tors. theta energy: -56.366 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: 107 Temperature: 1.250000 Total energy: -577.610472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.610472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.610472 (E_RNA) where: Base-Base interactions energy: -355.247 where: short stacking energy: -145.188 Base-Backbone interact. energy: -0.588 local terms energy: -221.775460 where: bonds (distance) C4'-P energy: -60.575 bonds (distance) P-C4' energy: -65.863 flat angles C4'-P-C4' energy: -49.388 flat angles P-C4'-P energy: -35.533 tors. eta vs tors. theta energy: -10.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -408.933191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.933191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.933191 (E_RNA) where: Base-Base interactions energy: -205.996 where: short stacking energy: -105.571 Base-Backbone interact. energy: -2.149 local terms energy: -200.788653 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -59.091 flat angles P-C4'-P energy: -24.730 tors. eta vs tors. theta energy: 9.838 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: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -340.831979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.831979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.831979 (E_RNA) where: Base-Base interactions energy: -126.394 where: short stacking energy: -104.953 Base-Backbone interact. energy: -0.855 local terms energy: -213.582725 where: bonds (distance) C4'-P energy: -63.906 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -47.440 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1232.627209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.627209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.627209 (E_RNA) where: Base-Base interactions energy: -864.213 where: short stacking energy: -333.397 Base-Backbone interact. energy: -1.342 local terms energy: -367.072760 where: bonds (distance) C4'-P energy: -79.458 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -73.902 flat angles P-C4'-P energy: -50.927 tors. eta vs tors. theta energy: -93.992 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: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1150.091073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.091073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.091073 (E_RNA) where: Base-Base interactions energy: -793.589 where: short stacking energy: -344.388 Base-Backbone interact. energy: -1.858 local terms energy: -354.644490 where: bonds (distance) C4'-P energy: -73.211 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -43.073 tors. eta vs tors. theta energy: -103.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1104.521335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.521335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.521335 (E_RNA) where: Base-Base interactions energy: -740.470 where: short stacking energy: -329.262 Base-Backbone interact. energy: 0.870 local terms energy: -364.921318 where: bonds (distance) C4'-P energy: -68.756 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -88.220 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -97.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1066.386091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.386091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.386091 (E_RNA) where: Base-Base interactions energy: -730.249 where: short stacking energy: -292.681 Base-Backbone interact. energy: -3.103 local terms energy: -333.034210 where: bonds (distance) C4'-P energy: -59.568 bonds (distance) P-C4' energy: -66.028 flat angles C4'-P-C4' energy: -76.100 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -86.967 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -920.607202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.607202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.607202 (E_RNA) where: Base-Base interactions energy: -595.339 where: short stacking energy: -273.233 Base-Backbone interact. energy: 1.754 local terms energy: -327.022500 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -69.230 flat angles C4'-P-C4' energy: -65.593 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: -75.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -750.927530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.927530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.927530 (E_RNA) where: Base-Base interactions energy: -481.365 where: short stacking energy: -202.927 Base-Backbone interact. energy: -1.484 local terms energy: -268.078729 where: bonds (distance) C4'-P energy: -63.345 bonds (distance) P-C4' energy: -61.958 flat angles C4'-P-C4' energy: -60.294 flat angles P-C4'-P energy: -35.649 tors. eta vs tors. theta energy: -46.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -749.696299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.696299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.696299 (E_RNA) where: Base-Base interactions energy: -463.476 where: short stacking energy: -215.217 Base-Backbone interact. energy: -1.014 local terms energy: -285.206427 where: bonds (distance) C4'-P energy: -54.955 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -67.889 flat angles P-C4'-P energy: -41.245 tors. eta vs tors. theta energy: -55.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -616.647180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.647180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.647180 (E_RNA) where: Base-Base interactions energy: -393.009 where: short stacking energy: -178.438 Base-Backbone interact. energy: -1.160 local terms energy: -222.477654 where: bonds (distance) C4'-P energy: -52.676 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -53.577 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -23.564 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -399.866031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.866031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.866031 (E_RNA) where: Base-Base interactions energy: -186.117 where: short stacking energy: -111.970 Base-Backbone interact. energy: 3.704 local terms energy: -217.452225 where: bonds (distance) C4'-P energy: -66.855 bonds (distance) P-C4' energy: -59.138 flat angles C4'-P-C4' energy: -48.022 flat angles P-C4'-P energy: -35.461 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -305.695465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.695465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.695465 (E_RNA) where: Base-Base interactions energy: -108.022 where: short stacking energy: -75.933 Base-Backbone interact. energy: -0.169 local terms energy: -197.504420 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -62.815 flat angles C4'-P-C4' energy: -58.101 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: 16.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1223.063376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.063376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.063376 (E_RNA) where: Base-Base interactions energy: -839.252 where: short stacking energy: -336.670 Base-Backbone interact. energy: -0.826 local terms energy: -382.985727 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -84.254 flat angles C4'-P-C4' energy: -78.884 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -92.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1161.618266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.618266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.618266 (E_RNA) where: Base-Base interactions energy: -792.644 where: short stacking energy: -341.355 Base-Backbone interact. energy: 0.751 local terms energy: -369.725068 where: bonds (distance) C4'-P energy: -71.301 bonds (distance) P-C4' energy: -66.549 flat angles C4'-P-C4' energy: -74.787 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -107.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1118.607392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.607392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.607392 (E_RNA) where: Base-Base interactions energy: -746.231 where: short stacking energy: -313.735 Base-Backbone interact. energy: 1.953 local terms energy: -374.328846 where: bonds (distance) C4'-P energy: -72.760 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -85.560 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: -94.598 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: 109 Temperature: 1.050000 Total energy: -1039.040802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.040802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.040802 (E_RNA) where: Base-Base interactions energy: -712.095 where: short stacking energy: -293.183 Base-Backbone interact. energy: -1.273 local terms energy: -325.672883 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -61.752 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -84.889 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: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -928.212915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.212915 (E_RNA) where: Base-Base interactions energy: -604.054 where: short stacking energy: -263.167 Base-Backbone interact. energy: -2.329 local terms energy: -321.830446 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -78.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -732.489215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.489215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.489215 (E_RNA) where: Base-Base interactions energy: -432.861 where: short stacking energy: -208.839 Base-Backbone interact. energy: -0.549 local terms energy: -299.079342 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -60.729 flat angles P-C4'-P energy: -44.825 tors. eta vs tors. theta energy: -51.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -706.674513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.674513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.674513 (E_RNA) where: Base-Base interactions energy: -435.778 where: short stacking energy: -188.407 Base-Backbone interact. energy: 0.823 local terms energy: -271.719203 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -69.052 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -39.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -628.676879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.676879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.676879 (E_RNA) where: Base-Base interactions energy: -380.941 where: short stacking energy: -172.392 Base-Backbone interact. energy: 6.456 local terms energy: -254.191557 where: bonds (distance) C4'-P energy: -61.629 bonds (distance) P-C4' energy: -65.457 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -31.221 tors. eta vs tors. theta energy: -33.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -419.597577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.597577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.597577 (E_RNA) where: Base-Base interactions energy: -206.631 where: short stacking energy: -105.502 Base-Backbone interact. energy: 7.716 local terms energy: -220.682806 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -59.987 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -301.089559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.089559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.089559 (E_RNA) where: Base-Base interactions energy: -108.979 where: short stacking energy: -105.728 Base-Backbone interact. energy: 0.559 local terms energy: -192.670358 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -60.418 flat angles C4'-P-C4' energy: -55.391 flat angles P-C4'-P energy: -28.574 tors. eta vs tors. theta energy: 4.766 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: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1231.736675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.736675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.736675 (E_RNA) where: Base-Base interactions energy: -871.089 where: short stacking energy: -350.336 Base-Backbone interact. energy: 1.630 local terms energy: -362.277973 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -84.237 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -98.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1173.538627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.538627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.538627 (E_RNA) where: Base-Base interactions energy: -812.147 where: short stacking energy: -337.637 Base-Backbone interact. energy: -1.667 local terms energy: -359.724139 where: bonds (distance) C4'-P energy: -73.488 bonds (distance) P-C4' energy: -67.104 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -99.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1081.278867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.278867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.278867 (E_RNA) where: Base-Base interactions energy: -714.181 where: short stacking energy: -325.012 Base-Backbone interact. energy: -1.980 local terms energy: -365.117869 where: bonds (distance) C4'-P energy: -81.049 bonds (distance) P-C4' energy: -72.969 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -91.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1045.126336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.126336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.126336 (E_RNA) where: Base-Base interactions energy: -710.062 where: short stacking energy: -299.529 Base-Backbone interact. energy: -1.119 local terms energy: -333.944826 where: bonds (distance) C4'-P energy: -65.729 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -75.910 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -83.752 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -940.634798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.634798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.634798 (E_RNA) where: Base-Base interactions energy: -628.846 where: short stacking energy: -287.268 Base-Backbone interact. energy: 1.023 local terms energy: -312.811992 where: bonds (distance) C4'-P energy: -50.356 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -71.074 flat angles P-C4'-P energy: -44.386 tors. eta vs tors. theta energy: -79.376 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: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -762.936471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.936471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.936471 (E_RNA) where: Base-Base interactions energy: -478.620 where: short stacking energy: -219.252 Base-Backbone interact. energy: -3.129 local terms energy: -281.187521 where: bonds (distance) C4'-P energy: -52.311 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -65.173 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -53.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -721.556765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.556765 (E_RNA) where: Base-Base interactions energy: -413.352 where: short stacking energy: -185.725 Base-Backbone interact. energy: -0.972 local terms energy: -307.232974 where: bonds (distance) C4'-P energy: -75.837 bonds (distance) P-C4' energy: -76.254 flat angles C4'-P-C4' energy: -66.215 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -43.415 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: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -593.710913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.710913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.710913 (E_RNA) where: Base-Base interactions energy: -330.925 where: short stacking energy: -155.064 Base-Backbone interact. energy: 0.794 local terms energy: -263.579981 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -77.779 flat angles C4'-P-C4' energy: -69.510 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -20.113 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: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -380.171756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.171756 (E_RNA) where: Base-Base interactions energy: -168.829 where: short stacking energy: -110.202 Base-Backbone interact. energy: -1.288 local terms energy: -210.054314 where: bonds (distance) C4'-P energy: -51.659 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: 8.452 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: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -271.598850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.598850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.598850 (E_RNA) where: Base-Base interactions energy: -86.887 where: short stacking energy: -57.089 Base-Backbone interact. energy: -2.194 local terms energy: -182.518468 where: bonds (distance) C4'-P energy: -60.474 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -56.732 flat angles P-C4'-P energy: -17.175 tors. eta vs tors. theta energy: 14.483 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: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1223.828712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.828712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.828712 (E_RNA) where: Base-Base interactions energy: -857.352 where: short stacking energy: -323.215 Base-Backbone interact. energy: 2.332 local terms energy: -368.808439 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -74.743 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -97.539 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: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1158.218215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.218215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.218215 (E_RNA) where: Base-Base interactions energy: -792.117 where: short stacking energy: -342.598 Base-Backbone interact. energy: -1.251 local terms energy: -364.849971 where: bonds (distance) C4'-P energy: -64.917 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -97.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1124.800255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.800255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.800255 (E_RNA) where: Base-Base interactions energy: -771.554 where: short stacking energy: -335.154 Base-Backbone interact. energy: -0.746 local terms energy: -352.500169 where: bonds (distance) C4'-P energy: -66.473 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -82.478 flat angles P-C4'-P energy: -52.147 tors. eta vs tors. theta energy: -90.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1019.186522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.186522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.186522 (E_RNA) where: Base-Base interactions energy: -688.386 where: short stacking energy: -274.733 Base-Backbone interact. energy: -0.540 local terms energy: -330.260305 where: bonds (distance) C4'-P energy: -72.908 bonds (distance) P-C4' energy: -51.536 flat angles C4'-P-C4' energy: -86.397 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -76.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -968.605660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.605660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.605660 (E_RNA) where: Base-Base interactions energy: -654.498 where: short stacking energy: -279.718 Base-Backbone interact. energy: 3.046 local terms energy: -317.153704 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -69.043 flat angles C4'-P-C4' energy: -71.868 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: -77.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -774.305420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.305420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.305420 (E_RNA) where: Base-Base interactions energy: -493.460 where: short stacking energy: -212.547 Base-Backbone interact. energy: 3.426 local terms energy: -284.271873 where: bonds (distance) C4'-P energy: -61.484 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -57.525 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: -52.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -704.194548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.194548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.194548 (E_RNA) where: Base-Base interactions energy: -440.353 where: short stacking energy: -190.551 Base-Backbone interact. energy: -0.415 local terms energy: -263.426663 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -71.167 flat angles C4'-P-C4' energy: -56.214 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -39.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -608.591875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.591875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.591875 (E_RNA) where: Base-Base interactions energy: -365.227 where: short stacking energy: -188.691 Base-Backbone interact. energy: -0.550 local terms energy: -242.815005 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -55.776 flat angles C4'-P-C4' energy: -53.983 flat angles P-C4'-P energy: -43.750 tors. eta vs tors. theta energy: -30.873 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -385.213472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.213472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.213472 (E_RNA) where: Base-Base interactions energy: -175.385 where: short stacking energy: -106.538 Base-Backbone interact. energy: 0.732 local terms energy: -210.560795 where: bonds (distance) C4'-P energy: -68.982 bonds (distance) P-C4' energy: -59.259 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -19.193 tors. eta vs tors. theta energy: 3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -301.395780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.395780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.395780 (E_RNA) where: Base-Base interactions energy: -103.029 where: short stacking energy: -73.620 Base-Backbone interact. energy: -0.674 local terms energy: -197.692721 where: bonds (distance) C4'-P energy: -68.125 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -43.964 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: 14.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1248.768031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.768031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.768031 (E_RNA) where: Base-Base interactions energy: -887.204 where: short stacking energy: -331.006 Base-Backbone interact. energy: -0.168 local terms energy: -361.395515 where: bonds (distance) C4'-P energy: -75.717 bonds (distance) P-C4' energy: -69.413 flat angles C4'-P-C4' energy: -84.326 flat angles P-C4'-P energy: -43.334 tors. eta vs tors. theta energy: -88.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1155.933885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.933885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.933885 (E_RNA) where: Base-Base interactions energy: -788.830 where: short stacking energy: -312.901 Base-Backbone interact. energy: -3.516 local terms energy: -363.588433 where: bonds (distance) C4'-P energy: -72.281 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -79.398 flat angles P-C4'-P energy: -47.120 tors. eta vs tors. theta energy: -101.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1119.843748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.843748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.843748 (E_RNA) where: Base-Base interactions energy: -744.331 where: short stacking energy: -334.790 Base-Backbone interact. energy: -2.150 local terms energy: -373.362941 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -78.209 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -101.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1011.395442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.395442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.395442 (E_RNA) where: Base-Base interactions energy: -681.714 where: short stacking energy: -261.619 Base-Backbone interact. energy: -3.819 local terms energy: -325.862353 where: bonds (distance) C4'-P energy: -59.347 bonds (distance) P-C4' energy: -70.494 flat angles C4'-P-C4' energy: -74.188 flat angles P-C4'-P energy: -46.099 tors. eta vs tors. theta energy: -75.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -975.179639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.179639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.179639 (E_RNA) where: Base-Base interactions energy: -643.489 where: short stacking energy: -292.978 Base-Backbone interact. energy: -1.129 local terms energy: -330.560977 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -73.803 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -81.347 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: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -802.114230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.114230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.114230 (E_RNA) where: Base-Base interactions energy: -497.166 where: short stacking energy: -221.671 Base-Backbone interact. energy: -2.550 local terms energy: -302.398198 where: bonds (distance) C4'-P energy: -61.779 bonds (distance) P-C4' energy: -72.947 flat angles C4'-P-C4' energy: -71.726 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -45.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -689.603194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.603194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.603194 (E_RNA) where: Base-Base interactions energy: -415.542 where: short stacking energy: -216.769 Base-Backbone interact. energy: 3.915 local terms energy: -277.976421 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -54.621 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: -44.723 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: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -612.506320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.506320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.506320 (E_RNA) where: Base-Base interactions energy: -385.857 where: short stacking energy: -178.193 Base-Backbone interact. energy: -1.647 local terms energy: -225.002878 where: bonds (distance) C4'-P energy: -49.126 bonds (distance) P-C4' energy: -47.631 flat angles C4'-P-C4' energy: -69.341 flat angles P-C4'-P energy: -38.598 tors. eta vs tors. theta energy: -20.307 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: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -312.044825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.044825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.044825 (E_RNA) where: Base-Base interactions energy: -123.169 where: short stacking energy: -104.321 Base-Backbone interact. energy: -1.053 local terms energy: -187.823420 where: bonds (distance) C4'-P energy: -56.834 bonds (distance) P-C4' energy: -53.279 flat angles C4'-P-C4' energy: -70.375 flat angles P-C4'-P energy: -21.156 tors. eta vs tors. theta energy: 13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -330.938072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.938072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.938072 (E_RNA) where: Base-Base interactions energy: -152.280 where: short stacking energy: -96.057 Base-Backbone interact. energy: 0.425 local terms energy: -179.082921 where: bonds (distance) C4'-P energy: -65.312 bonds (distance) P-C4' energy: -53.782 flat angles C4'-P-C4' energy: -45.383 flat angles P-C4'-P energy: -26.289 tors. eta vs tors. theta energy: 11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1235.423060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.423060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.423060 (E_RNA) where: Base-Base interactions energy: -862.219 where: short stacking energy: -333.390 Base-Backbone interact. energy: -2.079 local terms energy: -371.125037 where: bonds (distance) C4'-P energy: -75.818 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -48.497 tors. eta vs tors. theta energy: -95.872 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: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1148.666339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.666339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.666339 (E_RNA) where: Base-Base interactions energy: -793.900 where: short stacking energy: -340.958 Base-Backbone interact. energy: 0.890 local terms energy: -355.656695 where: bonds (distance) C4'-P energy: -60.269 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -94.598 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: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1101.770710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.770710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.770710 (E_RNA) where: Base-Base interactions energy: -744.922 where: short stacking energy: -319.968 Base-Backbone interact. energy: -0.784 local terms energy: -356.064543 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -74.269 flat angles C4'-P-C4' energy: -80.063 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -87.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1016.525413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.525413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.525413 (E_RNA) where: Base-Base interactions energy: -686.782 where: short stacking energy: -280.638 Base-Backbone interact. energy: -0.228 local terms energy: -329.515409 where: bonds (distance) C4'-P energy: -61.452 bonds (distance) P-C4' energy: -76.117 flat angles C4'-P-C4' energy: -73.177 flat angles P-C4'-P energy: -44.025 tors. eta vs tors. theta energy: -74.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1013.671373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.671373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.671373 (E_RNA) where: Base-Base interactions energy: -690.146 where: short stacking energy: -270.683 Base-Backbone interact. energy: -1.834 local terms energy: -321.691853 where: bonds (distance) C4'-P energy: -70.985 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -61.699 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -79.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -799.570026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.570026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.570026 (E_RNA) where: Base-Base interactions energy: -499.999 where: short stacking energy: -224.303 Base-Backbone interact. energy: 3.029 local terms energy: -302.600459 where: bonds (distance) C4'-P energy: -71.163 bonds (distance) P-C4' energy: -67.799 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -51.125 tors. eta vs tors. theta energy: -50.656 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: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -683.965310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.965310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.965310 (E_RNA) where: Base-Base interactions energy: -417.894 where: short stacking energy: -180.596 Base-Backbone interact. energy: 2.994 local terms energy: -269.065494 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -67.180 flat angles C4'-P-C4' energy: -69.391 flat angles P-C4'-P energy: -32.901 tors. eta vs tors. theta energy: -29.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -586.240551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.240551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.240551 (E_RNA) where: Base-Base interactions energy: -347.674 where: short stacking energy: -144.721 Base-Backbone interact. energy: -0.753 local terms energy: -237.812730 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -54.974 flat angles P-C4'-P energy: -30.494 tors. eta vs tors. theta energy: -23.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -300.899440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.899440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.899440 (E_RNA) where: Base-Base interactions energy: -131.412 where: short stacking energy: -93.420 Base-Backbone interact. energy: -2.189 local terms energy: -167.298527 where: bonds (distance) C4'-P energy: -63.360 bonds (distance) P-C4' energy: -53.656 flat angles C4'-P-C4' energy: -34.033 flat angles P-C4'-P energy: -20.981 tors. eta vs tors. theta energy: 4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -322.559463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.559463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.559463 (E_RNA) where: Base-Base interactions energy: -136.624 where: short stacking energy: -87.005 Base-Backbone interact. energy: 0.588 local terms energy: -186.523608 where: bonds (distance) C4'-P energy: -57.737 bonds (distance) P-C4' energy: -59.196 flat angles C4'-P-C4' energy: -43.556 flat angles P-C4'-P energy: -25.921 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1223.264555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.264555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.264555 (E_RNA) where: Base-Base interactions energy: -851.896 where: short stacking energy: -326.207 Base-Backbone interact. energy: -1.161 local terms energy: -370.207334 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -92.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1146.781371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.781371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.781371 (E_RNA) where: Base-Base interactions energy: -790.645 where: short stacking energy: -319.236 Base-Backbone interact. energy: -0.448 local terms energy: -355.688175 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -71.910 flat angles P-C4'-P energy: -54.277 tors. eta vs tors. theta energy: -98.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1128.399265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.399265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.399265 (E_RNA) where: Base-Base interactions energy: -761.770 where: short stacking energy: -323.732 Base-Backbone interact. energy: -2.346 local terms energy: -364.282434 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -81.779 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -97.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1030.812368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.812368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.812368 (E_RNA) where: Base-Base interactions energy: -696.612 where: short stacking energy: -311.086 Base-Backbone interact. energy: 0.019 local terms energy: -334.219185 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -60.550 flat angles P-C4'-P energy: -48.249 tors. eta vs tors. theta energy: -87.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -962.862226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.862226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.862226 (E_RNA) where: Base-Base interactions energy: -650.411 where: short stacking energy: -266.186 Base-Backbone interact. energy: 0.220 local terms energy: -312.671369 where: bonds (distance) C4'-P energy: -60.165 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: -69.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -772.254781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.254781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.254781 (E_RNA) where: Base-Base interactions energy: -476.230 where: short stacking energy: -225.302 Base-Backbone interact. energy: -0.969 local terms energy: -295.056490 where: bonds (distance) C4'-P energy: -62.800 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -50.327 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -63.374 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: 114 Temperature: 1.200000 Total energy: -647.218002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.218002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.218002 (E_RNA) where: Base-Base interactions energy: -397.337 where: short stacking energy: -205.072 Base-Backbone interact. energy: -1.867 local terms energy: -248.013948 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -55.210 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: -26.238 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: 114 Temperature: 1.250000 Total energy: -626.809402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.809402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.809402 (E_RNA) where: Base-Base interactions energy: -368.572 where: short stacking energy: -185.131 Base-Backbone interact. energy: -2.251 local terms energy: -255.986018 where: bonds (distance) C4'-P energy: -57.739 bonds (distance) P-C4' energy: -60.361 flat angles C4'-P-C4' energy: -72.475 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -23.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -341.139168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.139168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.139168 (E_RNA) where: Base-Base interactions energy: -127.032 where: short stacking energy: -95.671 Base-Backbone interact. energy: -2.285 local terms energy: -211.822238 where: bonds (distance) C4'-P energy: -60.133 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -47.925 flat angles P-C4'-P energy: -33.951 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -303.630716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.630716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.630716 (E_RNA) where: Base-Base interactions energy: -135.355 where: short stacking energy: -65.299 Base-Backbone interact. energy: 4.523 local terms energy: -172.799167 where: bonds (distance) C4'-P energy: -52.197 bonds (distance) P-C4' energy: -55.110 flat angles C4'-P-C4' energy: -48.784 flat angles P-C4'-P energy: -22.898 tors. eta vs tors. theta energy: 6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1235.781236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.781236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.781236 (E_RNA) where: Base-Base interactions energy: -867.764 where: short stacking energy: -331.786 Base-Backbone interact. energy: 0.510 local terms energy: -368.527233 where: bonds (distance) C4'-P energy: -68.120 bonds (distance) P-C4' energy: -75.906 flat angles C4'-P-C4' energy: -80.672 flat angles P-C4'-P energy: -55.420 tors. eta vs tors. theta energy: -88.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1183.839147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.839147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.839147 (E_RNA) where: Base-Base interactions energy: -812.532 where: short stacking energy: -358.126 Base-Backbone interact. energy: -0.851 local terms energy: -370.456334 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -85.222 flat angles P-C4'-P energy: -43.248 tors. eta vs tors. theta energy: -102.195 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: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1122.827076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.827076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.827076 (E_RNA) where: Base-Base interactions energy: -758.876 where: short stacking energy: -331.326 Base-Backbone interact. energy: -1.617 local terms energy: -362.333805 where: bonds (distance) C4'-P energy: -65.703 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -74.909 flat angles P-C4'-P energy: -50.146 tors. eta vs tors. theta energy: -96.597 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: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1039.011328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.011328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.011328 (E_RNA) where: Base-Base interactions energy: -696.609 where: short stacking energy: -298.966 Base-Backbone interact. energy: -3.271 local terms energy: -339.132193 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -66.499 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -92.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -946.837394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.837394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.837394 (E_RNA) where: Base-Base interactions energy: -630.366 where: short stacking energy: -273.611 Base-Backbone interact. energy: 0.101 local terms energy: -316.572711 where: bonds (distance) C4'-P energy: -54.942 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -73.869 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -74.174 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: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -790.728497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.728497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.728497 (E_RNA) where: Base-Base interactions energy: -482.889 where: short stacking energy: -231.908 Base-Backbone interact. energy: -1.070 local terms energy: -306.769576 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -54.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -699.406968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.406968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.406968 (E_RNA) where: Base-Base interactions energy: -426.136 where: short stacking energy: -192.713 Base-Backbone interact. energy: -1.015 local terms energy: -272.256599 where: bonds (distance) C4'-P energy: -48.140 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -52.557 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: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -632.847392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.847392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.847392 (E_RNA) where: Base-Base interactions energy: -385.874 where: short stacking energy: -199.915 Base-Backbone interact. energy: -0.001 local terms energy: -246.972180 where: bonds (distance) C4'-P energy: -49.562 bonds (distance) P-C4' energy: -68.933 flat angles C4'-P-C4' energy: -54.853 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -33.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -331.746529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.746529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.746529 (E_RNA) where: Base-Base interactions energy: -109.583 where: short stacking energy: -93.744 Base-Backbone interact. energy: -0.572 local terms energy: -221.591259 where: bonds (distance) C4'-P energy: -65.796 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -48.862 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -308.102544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.102544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.102544 (E_RNA) where: Base-Base interactions energy: -141.440 where: short stacking energy: -100.834 Base-Backbone interact. energy: 2.147 local terms energy: -168.809545 where: bonds (distance) C4'-P energy: -54.505 bonds (distance) P-C4' energy: -68.295 flat angles C4'-P-C4' energy: -55.588 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: 17.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1236.317478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.317478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.317478 (E_RNA) where: Base-Base interactions energy: -872.981 where: short stacking energy: -329.317 Base-Backbone interact. energy: -1.695 local terms energy: -361.641603 where: bonds (distance) C4'-P energy: -76.773 bonds (distance) P-C4' energy: -75.312 flat angles C4'-P-C4' energy: -81.090 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -88.767 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: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1156.522582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.522582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.522582 (E_RNA) where: Base-Base interactions energy: -762.106 where: short stacking energy: -323.551 Base-Backbone interact. energy: -5.803 local terms energy: -388.613860 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -67.697 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -103.315 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: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1170.390053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.390053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.390053 (E_RNA) where: Base-Base interactions energy: -803.350 where: short stacking energy: -352.333 Base-Backbone interact. energy: -1.472 local terms energy: -365.568352 where: bonds (distance) C4'-P energy: -68.967 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -67.134 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: -106.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1026.722142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.722142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.722142 (E_RNA) where: Base-Base interactions energy: -679.590 where: short stacking energy: -306.969 Base-Backbone interact. energy: -1.458 local terms energy: -345.674664 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -63.980 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -91.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -928.491305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.491305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.491305 (E_RNA) where: Base-Base interactions energy: -608.157 where: short stacking energy: -263.412 Base-Backbone interact. energy: -0.637 local terms energy: -319.697901 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -73.347 flat angles C4'-P-C4' energy: -73.287 flat angles P-C4'-P energy: -42.260 tors. eta vs tors. theta energy: -66.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -809.492044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.492044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.492044 (E_RNA) where: Base-Base interactions energy: -504.053 where: short stacking energy: -242.810 Base-Backbone interact. energy: -0.407 local terms energy: -305.032114 where: bonds (distance) C4'-P energy: -63.296 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -64.651 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: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -649.676794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.676794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.676794 (E_RNA) where: Base-Base interactions energy: -379.051 where: short stacking energy: -197.455 Base-Backbone interact. energy: -0.042 local terms energy: -270.583653 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -61.918 flat angles P-C4'-P energy: -35.504 tors. eta vs tors. theta energy: -40.187 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: 116 Temperature: 1.250000 Total energy: -599.144955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.144955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.144955 (E_RNA) where: Base-Base interactions energy: -345.525 where: short stacking energy: -155.382 Base-Backbone interact. energy: -1.999 local terms energy: -251.621046 where: bonds (distance) C4'-P energy: -67.764 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -64.861 flat angles P-C4'-P energy: -39.373 tors. eta vs tors. theta energy: -17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -358.431416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.431416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.431416 (E_RNA) where: Base-Base interactions energy: -156.601 where: short stacking energy: -96.115 Base-Backbone interact. energy: 0.110 local terms energy: -201.940378 where: bonds (distance) C4'-P energy: -66.351 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -44.671 flat angles P-C4'-P energy: -32.324 tors. eta vs tors. theta energy: 4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -311.948199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.948199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.948199 (E_RNA) where: Base-Base interactions energy: -114.055 where: short stacking energy: -71.729 Base-Backbone interact. energy: 0.805 local terms energy: -198.698041 where: bonds (distance) C4'-P energy: -50.134 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -54.933 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: 9.462 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: 117 Temperature: 0.900000 Total energy: -1241.455993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.455993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.455993 (E_RNA) where: Base-Base interactions energy: -864.566 where: short stacking energy: -334.589 Base-Backbone interact. energy: -0.067 local terms energy: -376.822739 where: bonds (distance) C4'-P energy: -77.010 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -79.078 flat angles P-C4'-P energy: -53.207 tors. eta vs tors. theta energy: -96.254 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: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1153.219995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.219995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.219995 (E_RNA) where: Base-Base interactions energy: -779.886 where: short stacking energy: -347.188 Base-Backbone interact. energy: -0.822 local terms energy: -372.512237 where: bonds (distance) C4'-P energy: -68.352 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -79.800 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: -104.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1138.218091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.218091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.218091 (E_RNA) where: Base-Base interactions energy: -777.074 where: short stacking energy: -326.140 Base-Backbone interact. energy: -1.831 local terms energy: -359.312581 where: bonds (distance) C4'-P energy: -67.526 bonds (distance) P-C4' energy: -68.339 flat angles C4'-P-C4' energy: -73.341 flat angles P-C4'-P energy: -48.274 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: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1031.926647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.926647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.926647 (E_RNA) where: Base-Base interactions energy: -684.331 where: short stacking energy: -302.793 Base-Backbone interact. energy: -2.826 local terms energy: -344.770063 where: bonds (distance) C4'-P energy: -72.255 bonds (distance) P-C4' energy: -62.722 flat angles C4'-P-C4' energy: -78.034 flat angles P-C4'-P energy: -49.476 tors. eta vs tors. theta energy: -82.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -986.907855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.907855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.907855 (E_RNA) where: Base-Base interactions energy: -651.208 where: short stacking energy: -275.271 Base-Backbone interact. energy: 0.596 local terms energy: -336.295317 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -73.256 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -45.792 tors. eta vs tors. theta energy: -80.242 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: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -813.936010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.936010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.936010 (E_RNA) where: Base-Base interactions energy: -497.157 where: short stacking energy: -242.752 Base-Backbone interact. energy: -0.845 local terms energy: -315.933899 where: bonds (distance) C4'-P energy: -65.010 bonds (distance) P-C4' energy: -59.904 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -66.043 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: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -656.678165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.678165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.678165 (E_RNA) where: Base-Base interactions energy: -396.242 where: short stacking energy: -207.514 Base-Backbone interact. energy: -0.747 local terms energy: -259.688987 where: bonds (distance) C4'-P energy: -52.028 bonds (distance) P-C4' energy: -63.658 flat angles C4'-P-C4' energy: -60.875 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -40.818 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: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -599.760892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.760892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.760892 (E_RNA) where: Base-Base interactions energy: -352.637 where: short stacking energy: -165.770 Base-Backbone interact. energy: 0.871 local terms energy: -247.994433 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -66.806 flat angles P-C4'-P energy: -28.680 tors. eta vs tors. theta energy: -25.131 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: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -370.591866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.591866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.591866 (E_RNA) where: Base-Base interactions energy: -153.564 where: short stacking energy: -91.636 Base-Backbone interact. energy: 4.622 local terms energy: -221.650280 where: bonds (distance) C4'-P energy: -60.435 bonds (distance) P-C4' energy: -71.073 flat angles C4'-P-C4' energy: -48.184 flat angles P-C4'-P energy: -40.317 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -309.926348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.926348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.926348 (E_RNA) where: Base-Base interactions energy: -99.365 where: short stacking energy: -60.034 Base-Backbone interact. energy: 1.010 local terms energy: -211.571167 where: bonds (distance) C4'-P energy: -62.756 bonds (distance) P-C4' energy: -70.941 flat angles C4'-P-C4' energy: -59.350 flat angles P-C4'-P energy: -33.392 tors. eta vs tors. theta energy: 14.867 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: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1241.463560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.463560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.463560 (E_RNA) where: Base-Base interactions energy: -869.677 where: short stacking energy: -343.398 Base-Backbone interact. energy: -0.786 local terms energy: -371.000224 where: bonds (distance) C4'-P energy: -72.180 bonds (distance) P-C4' energy: -76.196 flat angles C4'-P-C4' energy: -77.795 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -98.721 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: 118 Temperature: 0.950000 Total energy: -1121.700223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.700223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.700223 (E_RNA) where: Base-Base interactions energy: -754.921 where: short stacking energy: -313.975 Base-Backbone interact. energy: -1.565 local terms energy: -365.214869 where: bonds (distance) C4'-P energy: -74.112 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -52.329 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: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1102.486769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.486769 (E_RNA) where: Base-Base interactions energy: -745.364 where: short stacking energy: -320.929 Base-Backbone interact. energy: -0.773 local terms energy: -356.349280 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: -101.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1053.122572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.122572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.122572 (E_RNA) where: Base-Base interactions energy: -708.460 where: short stacking energy: -314.414 Base-Backbone interact. energy: -2.254 local terms energy: -342.408056 where: bonds (distance) C4'-P energy: -58.037 bonds (distance) P-C4' energy: -64.204 flat angles C4'-P-C4' energy: -81.677 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -82.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -977.953498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.953498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.953498 (E_RNA) where: Base-Base interactions energy: -649.662 where: short stacking energy: -269.312 Base-Backbone interact. energy: -1.202 local terms energy: -327.089636 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -57.794 flat angles C4'-P-C4' energy: -70.459 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: -85.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -802.509715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.509715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.509715 (E_RNA) where: Base-Base interactions energy: -513.629 where: short stacking energy: -237.559 Base-Backbone interact. energy: -0.555 local terms energy: -288.326630 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -58.620 flat angles C4'-P-C4' energy: -63.902 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -60.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -644.485200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.485200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.485200 (E_RNA) where: Base-Base interactions energy: -393.528 where: short stacking energy: -184.524 Base-Backbone interact. energy: -0.362 local terms energy: -250.595427 where: bonds (distance) C4'-P energy: -58.478 bonds (distance) P-C4' energy: -61.905 flat angles C4'-P-C4' energy: -53.901 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -41.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -607.552478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.552478 (E_RNA) where: Base-Base interactions energy: -354.288 where: short stacking energy: -154.630 Base-Backbone interact. energy: 0.954 local terms energy: -254.218318 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -67.085 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -37.652 tors. eta vs tors. theta energy: -28.117 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: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -428.332722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.332722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.332722 (E_RNA) where: Base-Base interactions energy: -200.318 where: short stacking energy: -113.838 Base-Backbone interact. energy: -0.335 local terms energy: -227.679802 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -66.151 flat angles C4'-P-C4' energy: -54.760 flat angles P-C4'-P energy: -37.490 tors. eta vs tors. theta energy: -9.557 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: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -291.414780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.414780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.414780 (E_RNA) where: Base-Base interactions energy: -99.284 where: short stacking energy: -89.096 Base-Backbone interact. energy: -1.889 local terms energy: -190.241599 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -62.980 flat angles P-C4'-P energy: -20.615 tors. eta vs tors. theta energy: 6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1233.809735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.809735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.809735 (E_RNA) where: Base-Base interactions energy: -868.757 where: short stacking energy: -330.531 Base-Backbone interact. energy: -0.153 local terms energy: -364.899740 where: bonds (distance) C4'-P energy: -69.818 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -73.723 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -95.163 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: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1137.639301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.639301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.639301 (E_RNA) where: Base-Base interactions energy: -775.677 where: short stacking energy: -325.243 Base-Backbone interact. energy: -2.870 local terms energy: -359.092112 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -60.662 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -52.179 tors. eta vs tors. theta energy: -95.627 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: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1098.328903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.328903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.328903 (E_RNA) where: Base-Base interactions energy: -752.516 where: short stacking energy: -319.895 Base-Backbone interact. energy: -0.370 local terms energy: -345.442886 where: bonds (distance) C4'-P energy: -67.097 bonds (distance) P-C4' energy: -55.228 flat angles C4'-P-C4' energy: -79.894 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -87.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1060.033242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.033242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.033242 (E_RNA) where: Base-Base interactions energy: -712.980 where: short stacking energy: -298.890 Base-Backbone interact. energy: -1.618 local terms energy: -345.434631 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -72.096 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -56.053 tors. eta vs tors. theta energy: -76.906 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: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -996.516398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.516398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.516398 (E_RNA) where: Base-Base interactions energy: -677.261 where: short stacking energy: -276.452 Base-Backbone interact. energy: -0.611 local terms energy: -318.643819 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -69.009 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -78.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -817.045865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.045865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.045865 (E_RNA) where: Base-Base interactions energy: -507.445 where: short stacking energy: -240.850 Base-Backbone interact. energy: -3.492 local terms energy: -306.108989 where: bonds (distance) C4'-P energy: -71.341 bonds (distance) P-C4' energy: -57.733 flat angles C4'-P-C4' energy: -69.892 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -58.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -635.955555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.955555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.955555 (E_RNA) where: Base-Base interactions energy: -376.868 where: short stacking energy: -168.554 Base-Backbone interact. energy: -0.921 local terms energy: -258.165828 where: bonds (distance) C4'-P energy: -67.637 bonds (distance) P-C4' energy: -54.899 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -29.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -584.076087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.076087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.076087 (E_RNA) where: Base-Base interactions energy: -337.221 where: short stacking energy: -156.426 Base-Backbone interact. energy: -0.097 local terms energy: -246.758663 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -47.688 flat angles C4'-P-C4' energy: -56.435 flat angles P-C4'-P energy: -48.578 tors. eta vs tors. theta energy: -32.313 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: 119 Temperature: 1.300000 Total energy: -404.207360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.207360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.207360 (E_RNA) where: Base-Base interactions energy: -198.950 where: short stacking energy: -114.755 Base-Backbone interact. energy: 2.637 local terms energy: -207.894297 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -51.018 flat angles P-C4'-P energy: -24.766 tors. eta vs tors. theta energy: -6.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -293.269459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.269459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.269459 (E_RNA) where: Base-Base interactions energy: -118.254 where: short stacking energy: -96.824 Base-Backbone interact. energy: -0.869 local terms energy: -174.146293 where: bonds (distance) C4'-P energy: -44.077 bonds (distance) P-C4' energy: -41.199 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -21.768 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1233.155377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.155377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.155377 (E_RNA) where: Base-Base interactions energy: -872.435 where: short stacking energy: -336.085 Base-Backbone interact. energy: -1.614 local terms energy: -359.106257 where: bonds (distance) C4'-P energy: -74.115 bonds (distance) P-C4' energy: -72.164 flat angles C4'-P-C4' energy: -70.898 flat angles P-C4'-P energy: -52.795 tors. eta vs tors. theta energy: -89.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1150.612423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.612423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.612423 (E_RNA) where: Base-Base interactions energy: -771.170 where: short stacking energy: -355.598 Base-Backbone interact. energy: 2.806 local terms energy: -382.249000 where: bonds (distance) C4'-P energy: -69.360 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -85.145 flat angles P-C4'-P energy: -51.350 tors. eta vs tors. theta energy: -100.598 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: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1104.921039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.921039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.921039 (E_RNA) where: Base-Base interactions energy: -767.924 where: short stacking energy: -335.740 Base-Backbone interact. energy: -2.671 local terms energy: -334.326077 where: bonds (distance) C4'-P energy: -66.475 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -32.727 tors. eta vs tors. theta energy: -97.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1055.221264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.221264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.221264 (E_RNA) where: Base-Base interactions energy: -699.493 where: short stacking energy: -294.650 Base-Backbone interact. energy: 2.401 local terms energy: -358.129938 where: bonds (distance) C4'-P energy: -63.601 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -77.870 flat angles P-C4'-P energy: -55.365 tors. eta vs tors. theta energy: -91.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -984.157231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.157231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.157231 (E_RNA) where: Base-Base interactions energy: -650.805 where: short stacking energy: -294.446 Base-Backbone interact. energy: 1.039 local terms energy: -334.391143 where: bonds (distance) C4'-P energy: -62.062 bonds (distance) P-C4' energy: -74.162 flat angles C4'-P-C4' energy: -78.408 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -78.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -809.797348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.797348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.797348 (E_RNA) where: Base-Base interactions energy: -522.962 where: short stacking energy: -246.558 Base-Backbone interact. energy: -0.413 local terms energy: -286.422012 where: bonds (distance) C4'-P energy: -63.077 bonds (distance) P-C4' energy: -45.204 flat angles C4'-P-C4' energy: -75.563 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -62.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -691.205256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.205256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.205256 (E_RNA) where: Base-Base interactions energy: -408.349 where: short stacking energy: -190.908 Base-Backbone interact. energy: -1.984 local terms energy: -280.872508 where: bonds (distance) C4'-P energy: -76.852 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -65.950 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -29.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -541.989480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.989480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.989480 (E_RNA) where: Base-Base interactions energy: -316.138 where: short stacking energy: -171.231 Base-Backbone interact. energy: -1.214 local terms energy: -224.637509 where: bonds (distance) C4'-P energy: -63.439 bonds (distance) P-C4' energy: -52.833 flat angles C4'-P-C4' energy: -46.740 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -32.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -384.424732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.424732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.424732 (E_RNA) where: Base-Base interactions energy: -166.704 where: short stacking energy: -117.026 Base-Backbone interact. energy: -0.387 local terms energy: -217.333638 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -60.293 flat angles P-C4'-P energy: -27.725 tors. eta vs tors. theta energy: -5.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -310.942510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.942510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.942510 (E_RNA) where: Base-Base interactions energy: -114.846 where: short stacking energy: -72.814 Base-Backbone interact. energy: 0.357 local terms energy: -196.452995 where: bonds (distance) C4'-P energy: -54.590 bonds (distance) P-C4' energy: -63.059 flat angles C4'-P-C4' energy: -48.685 flat angles P-C4'-P energy: -42.461 tors. eta vs tors. theta energy: 12.342 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: 121 Temperature: 0.900000 Total energy: -1212.301619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.301619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.301619 (E_RNA) where: Base-Base interactions energy: -833.966 where: short stacking energy: -325.244 Base-Backbone interact. energy: -1.020 local terms energy: -377.315622 where: bonds (distance) C4'-P energy: -66.490 bonds (distance) P-C4' energy: -84.340 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -58.492 tors. eta vs tors. theta energy: -90.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1121.450104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.450104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.450104 (E_RNA) where: Base-Base interactions energy: -769.924 where: short stacking energy: -337.408 Base-Backbone interact. energy: -0.896 local terms energy: -350.630138 where: bonds (distance) C4'-P energy: -59.796 bonds (distance) P-C4' energy: -70.401 flat angles C4'-P-C4' energy: -83.619 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -96.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1103.330319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.330319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.330319 (E_RNA) where: Base-Base interactions energy: -746.417 where: short stacking energy: -313.480 Base-Backbone interact. energy: -2.218 local terms energy: -354.695744 where: bonds (distance) C4'-P energy: -69.239 bonds (distance) P-C4' energy: -68.925 flat angles C4'-P-C4' energy: -77.750 flat angles P-C4'-P energy: -42.648 tors. eta vs tors. theta energy: -96.134 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: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1028.847453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.847453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.847453 (E_RNA) where: Base-Base interactions energy: -684.274 where: short stacking energy: -298.230 Base-Backbone interact. energy: -1.091 local terms energy: -343.482452 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: -91.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -994.800011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.800011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.800011 (E_RNA) where: Base-Base interactions energy: -657.977 where: short stacking energy: -292.899 Base-Backbone interact. energy: -2.825 local terms energy: -333.998021 where: bonds (distance) C4'-P energy: -57.180 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -73.120 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -79.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -833.015965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.015965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.015965 (E_RNA) where: Base-Base interactions energy: -533.527 where: short stacking energy: -232.864 Base-Backbone interact. energy: 0.836 local terms energy: -300.325075 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -65.907 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -52.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -679.278012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.278012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.278012 (E_RNA) where: Base-Base interactions energy: -393.955 where: short stacking energy: -187.450 Base-Backbone interact. energy: -1.158 local terms energy: -284.165088 where: bonds (distance) C4'-P energy: -68.761 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -45.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -563.290122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.290122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.290122 (E_RNA) where: Base-Base interactions energy: -305.123 where: short stacking energy: -146.810 Base-Backbone interact. energy: -1.228 local terms energy: -256.938766 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -71.484 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: -24.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -461.615317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.615317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.615317 (E_RNA) where: Base-Base interactions energy: -257.593 where: short stacking energy: -133.078 Base-Backbone interact. energy: -0.426 local terms energy: -203.595663 where: bonds (distance) C4'-P energy: -45.684 bonds (distance) P-C4' energy: -58.646 flat angles C4'-P-C4' energy: -56.291 flat angles P-C4'-P energy: -25.268 tors. eta vs tors. theta energy: -17.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -300.656129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.656129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.656129 (E_RNA) where: Base-Base interactions energy: -125.198 where: short stacking energy: -105.125 Base-Backbone interact. energy: -0.491 local terms energy: -174.967225 where: bonds (distance) C4'-P energy: -39.538 bonds (distance) P-C4' energy: -52.808 flat angles C4'-P-C4' energy: -49.397 flat angles P-C4'-P energy: -26.229 tors. eta vs tors. theta energy: -6.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1245.044127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.044127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.044127 (E_RNA) where: Base-Base interactions energy: -868.710 where: short stacking energy: -338.639 Base-Backbone interact. energy: -1.411 local terms energy: -374.922930 where: bonds (distance) C4'-P energy: -71.272 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -79.047 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -98.258 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: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1129.441943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.441943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.441943 (E_RNA) where: Base-Base interactions energy: -776.859 where: short stacking energy: -340.310 Base-Backbone interact. energy: -1.427 local terms energy: -351.155668 where: bonds (distance) C4'-P energy: -76.991 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -76.079 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -89.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1117.934421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.934421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.934421 (E_RNA) where: Base-Base interactions energy: -765.742 where: short stacking energy: -319.905 Base-Backbone interact. energy: 0.272 local terms energy: -352.464448 where: bonds (distance) C4'-P energy: -60.159 bonds (distance) P-C4' energy: -71.752 flat angles C4'-P-C4' energy: -75.286 flat angles P-C4'-P energy: -59.241 tors. eta vs tors. theta energy: -86.026 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: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1076.283266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.283266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.283266 (E_RNA) where: Base-Base interactions energy: -740.980 where: short stacking energy: -317.582 Base-Backbone interact. energy: 1.390 local terms energy: -336.693153 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -58.916 flat angles C4'-P-C4' energy: -78.260 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -89.676 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: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -994.266610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.266610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.266610 (E_RNA) where: Base-Base interactions energy: -637.638 where: short stacking energy: -292.688 Base-Backbone interact. energy: 0.633 local terms energy: -357.260834 where: bonds (distance) C4'-P energy: -64.609 bonds (distance) P-C4' energy: -73.551 flat angles C4'-P-C4' energy: -78.035 flat angles P-C4'-P energy: -53.937 tors. eta vs tors. theta energy: -87.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -893.064625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.064625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.064625 (E_RNA) where: Base-Base interactions energy: -577.415 where: short stacking energy: -266.292 Base-Backbone interact. energy: 0.466 local terms energy: -316.115772 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -71.884 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -58.011 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: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -725.332851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.332851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.332851 (E_RNA) where: Base-Base interactions energy: -448.728 where: short stacking energy: -211.041 Base-Backbone interact. energy: -0.682 local terms energy: -275.922887 where: bonds (distance) C4'-P energy: -65.245 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: -46.800 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: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -537.386165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.386165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.386165 (E_RNA) where: Base-Base interactions energy: -297.481 where: short stacking energy: -159.101 Base-Backbone interact. energy: 0.228 local terms energy: -240.132722 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -67.166 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -23.514 tors. eta vs tors. theta energy: -29.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -467.786361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.786361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.786361 (E_RNA) where: Base-Base interactions energy: -245.588 where: short stacking energy: -116.326 Base-Backbone interact. energy: 2.768 local terms energy: -224.966004 where: bonds (distance) C4'-P energy: -70.766 bonds (distance) P-C4' energy: -48.503 flat angles C4'-P-C4' energy: -49.737 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -286.717493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.717493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.717493 (E_RNA) where: Base-Base interactions energy: -94.419 where: short stacking energy: -84.019 Base-Backbone interact. energy: 1.631 local terms energy: -193.929620 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -47.268 flat angles P-C4'-P energy: -32.069 tors. eta vs tors. theta energy: 5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1220.701275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.701275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.701275 (E_RNA) where: Base-Base interactions energy: -869.296 where: short stacking energy: -344.960 Base-Backbone interact. energy: -1.764 local terms energy: -349.641233 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -83.300 flat angles P-C4'-P energy: -53.029 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: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1181.882098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.882098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.882098 (E_RNA) where: Base-Base interactions energy: -811.755 where: short stacking energy: -348.041 Base-Backbone interact. energy: 2.103 local terms energy: -372.229767 where: bonds (distance) C4'-P energy: -69.900 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -79.970 flat angles P-C4'-P energy: -58.866 tors. eta vs tors. theta energy: -93.818 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: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1105.982864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.982864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.982864 (E_RNA) where: Base-Base interactions energy: -754.430 where: short stacking energy: -324.888 Base-Backbone interact. energy: -0.790 local terms energy: -350.762805 where: bonds (distance) C4'-P energy: -67.644 bonds (distance) P-C4' energy: -71.505 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -99.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1053.125304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.125304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.125304 (E_RNA) where: Base-Base interactions energy: -710.249 where: short stacking energy: -323.028 Base-Backbone interact. energy: 3.050 local terms energy: -345.926073 where: bonds (distance) C4'-P energy: -62.469 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -95.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -971.856011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.856011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.856011 (E_RNA) where: Base-Base interactions energy: -644.954 where: short stacking energy: -275.566 Base-Backbone interact. energy: -0.243 local terms energy: -326.659249 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -55.057 flat angles C4'-P-C4' energy: -72.722 flat angles P-C4'-P energy: -53.050 tors. eta vs tors. theta energy: -77.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -909.295921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.295921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.295921 (E_RNA) where: Base-Base interactions energy: -597.360 where: short stacking energy: -251.290 Base-Backbone interact. energy: -1.625 local terms energy: -310.310696 where: bonds (distance) C4'-P energy: -71.507 bonds (distance) P-C4' energy: -63.815 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -42.596 tors. eta vs tors. theta energy: -65.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -722.481654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.481654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.481654 (E_RNA) where: Base-Base interactions energy: -417.211 where: short stacking energy: -205.239 Base-Backbone interact. energy: -1.494 local terms energy: -303.776630 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -63.055 flat angles C4'-P-C4' energy: -70.849 flat angles P-C4'-P energy: -46.793 tors. eta vs tors. theta energy: -49.060 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: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -527.974848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.974848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.974848 (E_RNA) where: Base-Base interactions energy: -294.969 where: short stacking energy: -148.794 Base-Backbone interact. energy: 0.181 local terms energy: -233.186495 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -49.627 flat angles C4'-P-C4' energy: -61.801 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: -20.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -473.106351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.106351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.106351 (E_RNA) where: Base-Base interactions energy: -248.381 where: short stacking energy: -140.481 Base-Backbone interact. energy: -0.501 local terms energy: -224.224684 where: bonds (distance) C4'-P energy: -61.447 bonds (distance) P-C4' energy: -51.119 flat angles C4'-P-C4' energy: -47.465 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: -23.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -326.813711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.813711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.813711 (E_RNA) where: Base-Base interactions energy: -145.184 where: short stacking energy: -96.088 Base-Backbone interact. energy: 0.055 local terms energy: -181.684951 where: bonds (distance) C4'-P energy: -63.392 bonds (distance) P-C4' energy: -44.660 flat angles C4'-P-C4' energy: -49.134 flat angles P-C4'-P energy: -27.367 tors. eta vs tors. theta energy: 2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1187.256814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.256814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.256814 (E_RNA) where: Base-Base interactions energy: -816.286 where: short stacking energy: -343.681 Base-Backbone interact. energy: -2.397 local terms energy: -368.573866 where: bonds (distance) C4'-P energy: -69.495 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -85.627 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -100.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1210.852642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.852642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.852642 (E_RNA) where: Base-Base interactions energy: -845.111 where: short stacking energy: -334.463 Base-Backbone interact. energy: -3.864 local terms energy: -361.878356 where: bonds (distance) C4'-P energy: -67.470 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -78.343 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -89.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1094.412925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.412925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.412925 (E_RNA) where: Base-Base interactions energy: -727.501 where: short stacking energy: -326.994 Base-Backbone interact. energy: -1.993 local terms energy: -364.919433 where: bonds (distance) C4'-P energy: -66.104 bonds (distance) P-C4' energy: -81.512 flat angles C4'-P-C4' energy: -75.544 flat angles P-C4'-P energy: -49.432 tors. eta vs tors. theta energy: -92.328 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: 4, replica: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1071.678164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.678164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.678164 (E_RNA) where: Base-Base interactions energy: -714.532 where: short stacking energy: -316.002 Base-Backbone interact. energy: -1.581 local terms energy: -355.565358 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: -88.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -958.267043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.267043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.267043 (E_RNA) where: Base-Base interactions energy: -644.833 where: short stacking energy: -271.247 Base-Backbone interact. energy: -0.825 local terms energy: -312.609319 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -69.654 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -72.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -855.571728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.571728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.571728 (E_RNA) where: Base-Base interactions energy: -537.515 where: short stacking energy: -242.119 Base-Backbone interact. energy: 2.546 local terms energy: -320.602601 where: bonds (distance) C4'-P energy: -74.444 bonds (distance) P-C4' energy: -72.862 flat angles C4'-P-C4' energy: -59.561 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -74.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -706.537800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.537800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.537800 (E_RNA) where: Base-Base interactions energy: -441.688 where: short stacking energy: -202.667 Base-Backbone interact. energy: -2.933 local terms energy: -261.916825 where: bonds (distance) C4'-P energy: -55.679 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -66.469 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -32.314 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: 124 Temperature: 1.250000 Total energy: -483.888788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.888788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.888788 (E_RNA) where: Base-Base interactions energy: -246.313 where: short stacking energy: -128.717 Base-Backbone interact. energy: -1.180 local terms energy: -236.395926 where: bonds (distance) C4'-P energy: -62.491 bonds (distance) P-C4' energy: -62.421 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -38.213 tors. eta vs tors. theta energy: -6.035 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: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -470.903723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.903723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.903723 (E_RNA) where: Base-Base interactions energy: -240.419 where: short stacking energy: -137.795 Base-Backbone interact. energy: 0.372 local terms energy: -230.856549 where: bonds (distance) C4'-P energy: -60.567 bonds (distance) P-C4' energy: -64.557 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -323.362606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.362606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.362606 (E_RNA) where: Base-Base interactions energy: -108.405 where: short stacking energy: -78.164 Base-Backbone interact. energy: 1.592 local terms energy: -216.549169 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -64.347 flat angles C4'-P-C4' energy: -47.423 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1207.682112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.682112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.682112 (E_RNA) where: Base-Base interactions energy: -838.402 where: short stacking energy: -375.237 Base-Backbone interact. energy: -0.676 local terms energy: -368.604415 where: bonds (distance) C4'-P energy: -63.233 bonds (distance) P-C4' energy: -68.288 flat angles C4'-P-C4' energy: -74.785 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -114.401 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: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1179.853602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.853602 (E_RNA) where: Base-Base interactions energy: -810.720 where: short stacking energy: -321.931 Base-Backbone interact. energy: -1.848 local terms energy: -367.286195 where: bonds (distance) C4'-P energy: -71.424 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -80.246 flat angles P-C4'-P energy: -49.695 tors. eta vs tors. theta energy: -94.393 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: 125 Temperature: 1.000000 Total energy: -1103.951571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.951571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.951571 (E_RNA) where: Base-Base interactions energy: -747.679 where: short stacking energy: -319.892 Base-Backbone interact. energy: -2.056 local terms energy: -354.216361 where: bonds (distance) C4'-P energy: -71.411 bonds (distance) P-C4' energy: -71.079 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -92.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1075.590766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.590766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.590766 (E_RNA) where: Base-Base interactions energy: -720.571 where: short stacking energy: -314.920 Base-Backbone interact. energy: -2.186 local terms energy: -352.833188 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -70.772 flat angles C4'-P-C4' energy: -75.652 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -90.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1020.184718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.184718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.184718 (E_RNA) where: Base-Base interactions energy: -675.029 where: short stacking energy: -310.670 Base-Backbone interact. energy: -1.155 local terms energy: -344.000224 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -82.000 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -83.607 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: 6, replica: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -864.402758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.402758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.402758 (E_RNA) where: Base-Base interactions energy: -536.798 where: short stacking energy: -252.727 Base-Backbone interact. energy: -2.059 local terms energy: -325.546062 where: bonds (distance) C4'-P energy: -73.384 bonds (distance) P-C4' energy: -64.357 flat angles C4'-P-C4' energy: -66.510 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: -78.717 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: 125 Temperature: 1.200000 Total energy: -713.573135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.573135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.573135 (E_RNA) where: Base-Base interactions energy: -440.111 where: short stacking energy: -196.815 Base-Backbone interact. energy: -0.318 local terms energy: -273.144928 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -71.871 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: -41.476 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: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -548.271965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.271965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.271965 (E_RNA) where: Base-Base interactions energy: -315.078 where: short stacking energy: -142.429 Base-Backbone interact. energy: -1.203 local terms energy: -231.991483 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -64.710 flat angles C4'-P-C4' energy: -63.804 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -444.069579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.069579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.069579 (E_RNA) where: Base-Base interactions energy: -214.770 where: short stacking energy: -117.571 Base-Backbone interact. energy: 1.477 local terms energy: -230.776601 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -70.546 flat angles C4'-P-C4' energy: -52.174 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: -8.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -295.208095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.208095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.208095 (E_RNA) where: Base-Base interactions energy: -103.485 where: short stacking energy: -80.205 Base-Backbone interact. energy: -1.152 local terms energy: -190.571211 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -64.924 flat angles C4'-P-C4' energy: -43.023 flat angles P-C4'-P energy: -31.011 tors. eta vs tors. theta energy: 14.067 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: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1203.163595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.163595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.163595 (E_RNA) where: Base-Base interactions energy: -827.455 where: short stacking energy: -335.472 Base-Backbone interact. energy: -1.186 local terms energy: -374.522313 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -83.887 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -92.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1189.397915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.397915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.397915 (E_RNA) where: Base-Base interactions energy: -822.471 where: short stacking energy: -361.533 Base-Backbone interact. energy: -2.967 local terms energy: -363.959814 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -72.191 flat angles C4'-P-C4' energy: -73.691 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -109.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1119.834207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.834207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.834207 (E_RNA) where: Base-Base interactions energy: -754.254 where: short stacking energy: -321.968 Base-Backbone interact. energy: -1.066 local terms energy: -364.514815 where: bonds (distance) C4'-P energy: -69.073 bonds (distance) P-C4' energy: -73.342 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -91.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1055.791129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.791129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.791129 (E_RNA) where: Base-Base interactions energy: -729.378 where: short stacking energy: -317.077 Base-Backbone interact. energy: -2.939 local terms energy: -323.474746 where: bonds (distance) C4'-P energy: -52.486 bonds (distance) P-C4' energy: -70.476 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: -88.825 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: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -994.770004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.770004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.770004 (E_RNA) where: Base-Base interactions energy: -648.616 where: short stacking energy: -302.961 Base-Backbone interact. energy: -1.138 local terms energy: -345.016095 where: bonds (distance) C4'-P energy: -59.188 bonds (distance) P-C4' energy: -68.642 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -89.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -827.807417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.807417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.807417 (E_RNA) where: Base-Base interactions energy: -525.481 where: short stacking energy: -238.046 Base-Backbone interact. energy: -0.907 local terms energy: -301.419242 where: bonds (distance) C4'-P energy: -58.201 bonds (distance) P-C4' energy: -68.057 flat angles C4'-P-C4' energy: -59.613 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: -62.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -724.692145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.692145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.692145 (E_RNA) where: Base-Base interactions energy: -466.448 where: short stacking energy: -214.867 Base-Backbone interact. energy: -1.608 local terms energy: -256.636458 where: bonds (distance) C4'-P energy: -56.269 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -34.014 tors. eta vs tors. theta energy: -42.256 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: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -554.344808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.344808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.344808 (E_RNA) where: Base-Base interactions energy: -286.289 where: short stacking energy: -139.708 Base-Backbone interact. energy: -2.235 local terms energy: -265.820992 where: bonds (distance) C4'-P energy: -66.813 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -54.215 flat angles P-C4'-P energy: -53.778 tors. eta vs tors. theta energy: -20.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -534.733964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.733964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.733964 (E_RNA) where: Base-Base interactions energy: -278.199 where: short stacking energy: -131.222 Base-Backbone interact. energy: -1.349 local terms energy: -255.185549 where: bonds (distance) C4'-P energy: -63.715 bonds (distance) P-C4' energy: -78.140 flat angles C4'-P-C4' energy: -54.107 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -16.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -304.966989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.966989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.966989 (E_RNA) where: Base-Base interactions energy: -119.982 where: short stacking energy: -69.248 Base-Backbone interact. energy: 0.048 local terms energy: -185.033458 where: bonds (distance) C4'-P energy: -50.449 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -38.897 flat angles P-C4'-P energy: -33.129 tors. eta vs tors. theta energy: 10.229 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1192.206780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.206780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.206780 (E_RNA) where: Base-Base interactions energy: -810.267 where: short stacking energy: -326.527 Base-Backbone interact. energy: -0.517 local terms energy: -381.422957 where: bonds (distance) C4'-P energy: -77.298 bonds (distance) P-C4' energy: -71.738 flat angles C4'-P-C4' energy: -84.629 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -97.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1163.924840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.924840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.924840 (E_RNA) where: Base-Base interactions energy: -816.792 where: short stacking energy: -363.456 Base-Backbone interact. energy: -2.469 local terms energy: -344.663762 where: bonds (distance) C4'-P energy: -51.763 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -77.509 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -100.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1124.625046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.625046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.625046 (E_RNA) where: Base-Base interactions energy: -752.610 where: short stacking energy: -321.427 Base-Backbone interact. energy: -3.949 local terms energy: -368.065776 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -67.691 flat angles C4'-P-C4' energy: -74.909 flat angles P-C4'-P energy: -56.665 tors. eta vs tors. theta energy: -89.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1048.878742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.878742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.878742 (E_RNA) where: Base-Base interactions energy: -697.599 where: short stacking energy: -298.930 Base-Backbone interact. energy: -2.558 local terms energy: -348.721723 where: bonds (distance) C4'-P energy: -50.327 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -88.428 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: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -997.096199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.096199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.096199 (E_RNA) where: Base-Base interactions energy: -646.020 where: short stacking energy: -307.386 Base-Backbone interact. energy: -1.941 local terms energy: -349.135478 where: bonds (distance) C4'-P energy: -71.318 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -75.453 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -98.990 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: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -841.126121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.126121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.126121 (E_RNA) where: Base-Base interactions energy: -522.762 where: short stacking energy: -235.112 Base-Backbone interact. energy: -1.571 local terms energy: -316.793387 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -65.257 flat angles C4'-P-C4' energy: -77.501 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -64.965 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: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -707.530709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.530709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.530709 (E_RNA) where: Base-Base interactions energy: -449.515 where: short stacking energy: -207.285 Base-Backbone interact. energy: -0.725 local terms energy: -257.290746 where: bonds (distance) C4'-P energy: -52.923 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -32.819 tors. eta vs tors. theta energy: -40.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -585.106720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.106720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.106720 (E_RNA) where: Base-Base interactions energy: -339.430 where: short stacking energy: -161.630 Base-Backbone interact. energy: -1.707 local terms energy: -243.969181 where: bonds (distance) C4'-P energy: -61.272 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -52.060 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -32.981 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: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -443.497164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.497164 (E_RNA) where: Base-Base interactions energy: -212.514 where: short stacking energy: -139.403 Base-Backbone interact. energy: 0.376 local terms energy: -231.358750 where: bonds (distance) C4'-P energy: -60.956 bonds (distance) P-C4' energy: -62.289 flat angles C4'-P-C4' energy: -59.872 flat angles P-C4'-P energy: -32.622 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -281.399172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.399172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.399172 (E_RNA) where: Base-Base interactions energy: -86.507 where: short stacking energy: -72.503 Base-Backbone interact. energy: -0.662 local terms energy: -194.230030 where: bonds (distance) C4'-P energy: -48.854 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -51.164 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: 11.077 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: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1206.443906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.443906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.443906 (E_RNA) where: Base-Base interactions energy: -828.839 where: short stacking energy: -328.412 Base-Backbone interact. energy: -1.957 local terms energy: -375.647924 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -72.497 flat angles C4'-P-C4' energy: -78.637 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -95.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1172.025385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.025385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.025385 (E_RNA) where: Base-Base interactions energy: -797.949 where: short stacking energy: -370.433 Base-Backbone interact. energy: -1.923 local terms energy: -372.153182 where: bonds (distance) C4'-P energy: -67.256 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -83.476 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -102.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1113.728514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.728514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.728514 (E_RNA) where: Base-Base interactions energy: -752.577 where: short stacking energy: -318.401 Base-Backbone interact. energy: -0.177 local terms energy: -360.974526 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -85.226 flat angles P-C4'-P energy: -46.219 tors. eta vs tors. theta energy: -90.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1120.352181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.352181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.352181 (E_RNA) where: Base-Base interactions energy: -767.032 where: short stacking energy: -329.185 Base-Backbone interact. energy: 0.988 local terms energy: -354.307498 where: bonds (distance) C4'-P energy: -70.587 bonds (distance) P-C4' energy: -64.698 flat angles C4'-P-C4' energy: -71.727 flat angles P-C4'-P energy: -47.191 tors. eta vs tors. theta energy: -100.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -970.529088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.529088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.529088 (E_RNA) where: Base-Base interactions energy: -643.181 where: short stacking energy: -278.033 Base-Backbone interact. energy: -1.967 local terms energy: -325.381176 where: bonds (distance) C4'-P energy: -71.952 bonds (distance) P-C4' energy: -66.245 flat angles C4'-P-C4' energy: -61.679 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -78.900 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: 128 Temperature: 1.150000 Total energy: -840.062069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.062069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.062069 (E_RNA) where: Base-Base interactions energy: -516.463 where: short stacking energy: -230.711 Base-Backbone interact. energy: -1.097 local terms energy: -322.501435 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -64.373 flat angles C4'-P-C4' energy: -74.770 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -58.848 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: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -689.794812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.794812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.794812 (E_RNA) where: Base-Base interactions energy: -429.344 where: short stacking energy: -199.961 Base-Backbone interact. energy: -1.007 local terms energy: -259.444152 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -73.714 flat angles P-C4'-P energy: -37.485 tors. eta vs tors. theta energy: -35.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -596.260795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.260795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.260795 (E_RNA) where: Base-Base interactions energy: -325.521 where: short stacking energy: -171.490 Base-Backbone interact. energy: 0.291 local terms energy: -271.030373 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -55.998 flat angles P-C4'-P energy: -32.692 tors. eta vs tors. theta energy: -42.296 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: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -306.658045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.658045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.658045 (E_RNA) where: Base-Base interactions energy: -96.175 where: short stacking energy: -83.283 Base-Backbone interact. energy: 0.309 local terms energy: -210.792534 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -66.888 flat angles C4'-P-C4' energy: -53.741 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: 3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -371.677113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.677113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.677113 (E_RNA) where: Base-Base interactions energy: -182.456 where: short stacking energy: -101.940 Base-Backbone interact. energy: -0.801 local terms energy: -188.419706 where: bonds (distance) C4'-P energy: -56.928 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -48.000 flat angles P-C4'-P energy: -23.456 tors. eta vs tors. theta energy: 1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1187.121194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.121194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.121194 (E_RNA) where: Base-Base interactions energy: -838.153 where: short stacking energy: -343.814 Base-Backbone interact. energy: -1.226 local terms energy: -347.742128 where: bonds (distance) C4'-P energy: -60.338 bonds (distance) P-C4' energy: -74.438 flat angles C4'-P-C4' energy: -78.492 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: -91.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1187.413025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.413025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.413025 (E_RNA) where: Base-Base interactions energy: -805.821 where: short stacking energy: -346.296 Base-Backbone interact. energy: -1.540 local terms energy: -380.052298 where: bonds (distance) C4'-P energy: -65.073 bonds (distance) P-C4' energy: -76.598 flat angles C4'-P-C4' energy: -81.610 flat angles P-C4'-P energy: -49.967 tors. eta vs tors. theta energy: -106.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1092.498089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.498089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.498089 (E_RNA) where: Base-Base interactions energy: -727.103 where: short stacking energy: -324.682 Base-Backbone interact. energy: 1.097 local terms energy: -366.492124 where: bonds (distance) C4'-P energy: -66.290 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -82.629 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: -96.318 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1122.312113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.312113 (E_RNA) where: Base-Base interactions energy: -764.379 where: short stacking energy: -319.402 Base-Backbone interact. energy: -0.881 local terms energy: -357.052662 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -81.987 flat angles P-C4'-P energy: -55.091 tors. eta vs tors. theta energy: -95.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -976.989271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.989271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.989271 (E_RNA) where: Base-Base interactions energy: -647.925 where: short stacking energy: -267.643 Base-Backbone interact. energy: -1.578 local terms energy: -327.485915 where: bonds (distance) C4'-P energy: -76.194 bonds (distance) P-C4' energy: -68.815 flat angles C4'-P-C4' energy: -72.544 flat angles P-C4'-P energy: -39.523 tors. eta vs tors. theta energy: -70.411 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: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -837.563602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.563602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.563602 (E_RNA) where: Base-Base interactions energy: -555.621 where: short stacking energy: -259.029 Base-Backbone interact. energy: -0.231 local terms energy: -281.712177 where: bonds (distance) C4'-P energy: -49.518 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -46.027 flat angles P-C4'-P energy: -46.984 tors. eta vs tors. theta energy: -72.400 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -704.900590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.900590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.900590 (E_RNA) where: Base-Base interactions energy: -429.908 where: short stacking energy: -203.794 Base-Backbone interact. energy: -0.702 local terms energy: -274.290810 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -58.707 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -37.263 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: 129 Temperature: 1.250000 Total energy: -569.853550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.853550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.853550 (E_RNA) where: Base-Base interactions energy: -321.214 where: short stacking energy: -144.637 Base-Backbone interact. energy: -0.435 local terms energy: -248.203799 where: bonds (distance) C4'-P energy: -75.080 bonds (distance) P-C4' energy: -60.593 flat angles C4'-P-C4' energy: -58.141 flat angles P-C4'-P energy: -34.882 tors. eta vs tors. theta energy: -19.508 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -354.478971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.478971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.478971 (E_RNA) where: Base-Base interactions energy: -141.576 where: short stacking energy: -86.632 Base-Backbone interact. energy: -1.765 local terms energy: -211.138229 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -58.476 flat angles C4'-P-C4' energy: -50.611 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -370.677947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.677947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.677947 (E_RNA) where: Base-Base interactions energy: -167.417 where: short stacking energy: -105.278 Base-Backbone interact. energy: 1.751 local terms energy: -205.011518 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -63.327 flat angles C4'-P-C4' energy: -46.540 flat angles P-C4'-P energy: -37.749 tors. eta vs tors. theta energy: 5.212 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: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1189.243023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.243023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.243023 (E_RNA) where: Base-Base interactions energy: -801.676 where: short stacking energy: -355.332 Base-Backbone interact. energy: -2.615 local terms energy: -384.952076 where: bonds (distance) C4'-P energy: -73.074 bonds (distance) P-C4' energy: -78.097 flat angles C4'-P-C4' energy: -76.709 flat angles P-C4'-P energy: -55.097 tors. eta vs tors. theta energy: -101.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1161.164537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.164537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.164537 (E_RNA) where: Base-Base interactions energy: -797.720 where: short stacking energy: -327.559 Base-Backbone interact. energy: -2.438 local terms energy: -361.006151 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -94.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1105.954223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.954223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.954223 (E_RNA) where: Base-Base interactions energy: -750.297 where: short stacking energy: -311.430 Base-Backbone interact. energy: 3.318 local terms energy: -358.975918 where: bonds (distance) C4'-P energy: -73.916 bonds (distance) P-C4' energy: -73.009 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -89.638 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: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1082.355168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.355168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.355168 (E_RNA) where: Base-Base interactions energy: -734.353 where: short stacking energy: -333.550 Base-Backbone interact. energy: -1.099 local terms energy: -346.903018 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -73.791 flat angles C4'-P-C4' energy: -69.910 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -94.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -969.228131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.228131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.228131 (E_RNA) where: Base-Base interactions energy: -644.965 where: short stacking energy: -260.928 Base-Backbone interact. energy: -1.405 local terms energy: -322.858326 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -71.614 flat angles P-C4'-P energy: -38.527 tors. eta vs tors. theta energy: -77.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -867.817629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.817629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.817629 (E_RNA) where: Base-Base interactions energy: -565.774 where: short stacking energy: -240.409 Base-Backbone interact. energy: -1.075 local terms energy: -300.968718 where: bonds (distance) C4'-P energy: -70.489 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -55.363 flat angles P-C4'-P energy: -34.146 tors. eta vs tors. theta energy: -62.918 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: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -677.187088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.187088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.187088 (E_RNA) where: Base-Base interactions energy: -405.998 where: short stacking energy: -180.066 Base-Backbone interact. energy: 1.963 local terms energy: -273.151618 where: bonds (distance) C4'-P energy: -57.284 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -65.586 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -40.005 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -590.514317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.514317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.514317 (E_RNA) where: Base-Base interactions energy: -336.931 where: short stacking energy: -163.654 Base-Backbone interact. energy: 0.752 local terms energy: -254.335964 where: bonds (distance) C4'-P energy: -48.768 bonds (distance) P-C4' energy: -64.380 flat angles C4'-P-C4' energy: -69.448 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -25.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -405.545547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.545547 (E_RNA) where: Base-Base interactions energy: -196.415 where: short stacking energy: -92.959 Base-Backbone interact. energy: 2.313 local terms energy: -211.443687 where: bonds (distance) C4'-P energy: -56.721 bonds (distance) P-C4' energy: -67.307 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: 6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -285.280111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.280111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.280111 (E_RNA) where: Base-Base interactions energy: -101.468 where: short stacking energy: -92.936 Base-Backbone interact. energy: 1.424 local terms energy: -185.235657 where: bonds (distance) C4'-P energy: -55.675 bonds (distance) P-C4' energy: -53.786 flat angles C4'-P-C4' energy: -43.647 flat angles P-C4'-P energy: -33.760 tors. eta vs tors. theta energy: 1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1195.298369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.298369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.298369 (E_RNA) where: Base-Base interactions energy: -810.845 where: short stacking energy: -376.428 Base-Backbone interact. energy: 0.537 local terms energy: -384.990813 where: bonds (distance) C4'-P energy: -78.068 bonds (distance) P-C4' energy: -73.000 flat angles C4'-P-C4' energy: -78.303 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -107.635 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: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1156.861368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.861368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.861368 (E_RNA) where: Base-Base interactions energy: -786.064 where: short stacking energy: -325.173 Base-Backbone interact. energy: -0.924 local terms energy: -369.873269 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -74.402 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -95.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1147.823172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.823172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.823172 (E_RNA) where: Base-Base interactions energy: -776.279 where: short stacking energy: -319.576 Base-Backbone interact. energy: -1.395 local terms energy: -370.149255 where: bonds (distance) C4'-P energy: -69.313 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -102.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1084.097326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.097326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.097326 (E_RNA) where: Base-Base interactions energy: -717.811 where: short stacking energy: -320.342 Base-Backbone interact. energy: 4.875 local terms energy: -371.161108 where: bonds (distance) C4'-P energy: -65.575 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -79.402 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -104.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1023.648671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.648671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.648671 (E_RNA) where: Base-Base interactions energy: -661.241 where: short stacking energy: -303.972 Base-Backbone interact. energy: -1.473 local terms energy: -360.934751 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -53.864 tors. eta vs tors. theta energy: -104.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -912.543718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.543718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.543718 (E_RNA) where: Base-Base interactions energy: -586.322 where: short stacking energy: -259.162 Base-Backbone interact. energy: -0.243 local terms energy: -325.979104 where: bonds (distance) C4'-P energy: -70.841 bonds (distance) P-C4' energy: -54.329 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -75.873 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -684.738177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.738177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.738177 (E_RNA) where: Base-Base interactions energy: -394.808 where: short stacking energy: -173.995 Base-Backbone interact. energy: -3.100 local terms energy: -286.830907 where: bonds (distance) C4'-P energy: -67.783 bonds (distance) P-C4' energy: -74.026 flat angles C4'-P-C4' energy: -65.663 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -35.340 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: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -651.449683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.449683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.449683 (E_RNA) where: Base-Base interactions energy: -389.835 where: short stacking energy: -169.978 Base-Backbone interact. energy: -1.006 local terms energy: -260.609162 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -62.454 flat angles P-C4'-P energy: -44.141 tors. eta vs tors. theta energy: -24.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -402.725888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.725888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.725888 (E_RNA) where: Base-Base interactions energy: -184.412 where: short stacking energy: -119.477 Base-Backbone interact. energy: 1.351 local terms energy: -219.664331 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -63.169 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -31.553 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -275.506610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.506610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.506610 (E_RNA) where: Base-Base interactions energy: -85.479 where: short stacking energy: -67.967 Base-Backbone interact. energy: -1.645 local terms energy: -188.382489 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -52.108 flat angles P-C4'-P energy: -28.674 tors. eta vs tors. theta energy: 14.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1194.191240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.191240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.191240 (E_RNA) where: Base-Base interactions energy: -825.812 where: short stacking energy: -376.419 Base-Backbone interact. energy: 1.094 local terms energy: -369.473033 where: bonds (distance) C4'-P energy: -70.227 bonds (distance) P-C4' energy: -70.948 flat angles C4'-P-C4' energy: -82.905 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -101.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1157.050577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.050577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.050577 (E_RNA) where: Base-Base interactions energy: -799.101 where: short stacking energy: -325.114 Base-Backbone interact. energy: -0.606 local terms energy: -357.343125 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -79.214 flat angles C4'-P-C4' energy: -83.090 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -91.468 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: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1102.947461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.947461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.947461 (E_RNA) where: Base-Base interactions energy: -759.582 where: short stacking energy: -331.885 Base-Backbone interact. energy: -1.993 local terms energy: -341.372106 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -64.524 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -51.127 tors. eta vs tors. theta energy: -97.017 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: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1084.299808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.299808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.299808 (E_RNA) where: Base-Base interactions energy: -724.574 where: short stacking energy: -303.774 Base-Backbone interact. energy: -2.089 local terms energy: -357.636800 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -99.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -990.838049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.838049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.838049 (E_RNA) where: Base-Base interactions energy: -661.118 where: short stacking energy: -275.731 Base-Backbone interact. energy: -2.962 local terms energy: -326.757874 where: bonds (distance) C4'-P energy: -62.559 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -68.450 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -79.102 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: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -877.276555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.276555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.276555 (E_RNA) where: Base-Base interactions energy: -560.822 where: short stacking energy: -248.851 Base-Backbone interact. energy: 0.791 local terms energy: -317.245479 where: bonds (distance) C4'-P energy: -67.873 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -70.209 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -67.372 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: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -681.221222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.221222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.221222 (E_RNA) where: Base-Base interactions energy: -408.834 where: short stacking energy: -199.749 Base-Backbone interact. energy: -0.733 local terms energy: -271.654122 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -41.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -633.708224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.708224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.708224 (E_RNA) where: Base-Base interactions energy: -389.258 where: short stacking energy: -189.546 Base-Backbone interact. energy: 0.433 local terms energy: -244.882970 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -52.521 flat angles C4'-P-C4' energy: -53.185 flat angles P-C4'-P energy: -43.845 tors. eta vs tors. theta energy: -32.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -408.081534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.081534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.081534 (E_RNA) where: Base-Base interactions energy: -182.808 where: short stacking energy: -97.845 Base-Backbone interact. energy: -0.730 local terms energy: -224.544063 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -67.528 flat angles C4'-P-C4' energy: -55.643 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -358.894834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.894834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.894834 (E_RNA) where: Base-Base interactions energy: -145.885 where: short stacking energy: -100.617 Base-Backbone interact. energy: -0.031 local terms energy: -212.978983 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -73.391 flat angles C4'-P-C4' energy: -52.812 flat angles P-C4'-P energy: -27.533 tors. eta vs tors. theta energy: 6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1185.466901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.466901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.466901 (E_RNA) where: Base-Base interactions energy: -799.683 where: short stacking energy: -366.217 Base-Backbone interact. energy: -0.304 local terms energy: -385.480142 where: bonds (distance) C4'-P energy: -67.446 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -88.373 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -109.666 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1138.731583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.731583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.731583 (E_RNA) where: Base-Base interactions energy: -783.674 where: short stacking energy: -322.772 Base-Backbone interact. energy: -0.059 local terms energy: -354.998170 where: bonds (distance) C4'-P energy: -71.003 bonds (distance) P-C4' energy: -68.393 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -91.785 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: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1088.646112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.646112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.646112 (E_RNA) where: Base-Base interactions energy: -727.030 where: short stacking energy: -331.704 Base-Backbone interact. energy: -2.380 local terms energy: -359.235729 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -93.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1106.526462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.526462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.526462 (E_RNA) where: Base-Base interactions energy: -738.808 where: short stacking energy: -320.921 Base-Backbone interact. energy: -2.844 local terms energy: -364.875186 where: bonds (distance) C4'-P energy: -68.475 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -99.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1009.929621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.929621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.929621 (E_RNA) where: Base-Base interactions energy: -679.002 where: short stacking energy: -288.463 Base-Backbone interact. energy: 0.293 local terms energy: -331.220379 where: bonds (distance) C4'-P energy: -67.973 bonds (distance) P-C4' energy: -71.106 flat angles C4'-P-C4' energy: -72.425 flat angles P-C4'-P energy: -33.228 tors. eta vs tors. theta energy: -86.488 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: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -897.701921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.701921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.701921 (E_RNA) where: Base-Base interactions energy: -596.716 where: short stacking energy: -249.392 Base-Backbone interact. energy: 0.649 local terms energy: -301.635020 where: bonds (distance) C4'-P energy: -55.299 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -66.758 flat angles P-C4'-P energy: -44.136 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: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -664.612269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.612269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.612269 (E_RNA) where: Base-Base interactions energy: -382.128 where: short stacking energy: -154.318 Base-Backbone interact. energy: -0.014 local terms energy: -282.471073 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -74.603 flat angles P-C4'-P energy: -52.319 tors. eta vs tors. theta energy: -30.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -652.375407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.375407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.375407 (E_RNA) where: Base-Base interactions energy: -423.188 where: short stacking energy: -190.401 Base-Backbone interact. energy: 1.488 local terms energy: -230.675541 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -53.825 flat angles C4'-P-C4' energy: -50.673 flat angles P-C4'-P energy: -33.513 tors. eta vs tors. theta energy: -36.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -357.335721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.335721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.335721 (E_RNA) where: Base-Base interactions energy: -152.047 where: short stacking energy: -98.741 Base-Backbone interact. energy: -0.560 local terms energy: -204.728365 where: bonds (distance) C4'-P energy: -69.383 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -41.388 flat angles P-C4'-P energy: -34.916 tors. eta vs tors. theta energy: 1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -367.785680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.785680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.785680 (E_RNA) where: Base-Base interactions energy: -161.245 where: short stacking energy: -106.265 Base-Backbone interact. energy: 1.617 local terms energy: -208.157286 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -56.440 flat angles C4'-P-C4' energy: -47.682 flat angles P-C4'-P energy: -44.228 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: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1228.703628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.703628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.703628 (E_RNA) where: Base-Base interactions energy: -842.999 where: short stacking energy: -341.669 Base-Backbone interact. energy: 0.481 local terms energy: -386.185270 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -71.557 flat angles C4'-P-C4' energy: -78.935 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -106.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1175.130853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.130853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.130853 (E_RNA) where: Base-Base interactions energy: -810.717 where: short stacking energy: -351.703 Base-Backbone interact. energy: 0.113 local terms energy: -364.527442 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -65.426 flat angles C4'-P-C4' energy: -84.539 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: -102.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1109.984812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.984812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.984812 (E_RNA) where: Base-Base interactions energy: -745.966 where: short stacking energy: -315.676 Base-Backbone interact. energy: -4.306 local terms energy: -359.712222 where: bonds (distance) C4'-P energy: -71.572 bonds (distance) P-C4' energy: -60.119 flat angles C4'-P-C4' energy: -73.201 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -98.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1041.977385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.977385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.977385 (E_RNA) where: Base-Base interactions energy: -709.254 where: short stacking energy: -302.639 Base-Backbone interact. energy: -0.210 local terms energy: -332.513042 where: bonds (distance) C4'-P energy: -50.986 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -74.336 flat angles P-C4'-P energy: -52.002 tors. eta vs tors. theta energy: -89.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -906.027136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.027136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.027136 (E_RNA) where: Base-Base interactions energy: -585.928 where: short stacking energy: -258.670 Base-Backbone interact. energy: -1.866 local terms energy: -318.233616 where: bonds (distance) C4'-P energy: -73.261 bonds (distance) P-C4' energy: -67.180 flat angles C4'-P-C4' energy: -66.661 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -67.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -950.558668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.558668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.558668 (E_RNA) where: Base-Base interactions energy: -645.707 where: short stacking energy: -251.359 Base-Backbone interact. energy: -0.724 local terms energy: -304.127398 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -71.850 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: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -708.084414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.084414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.084414 (E_RNA) where: Base-Base interactions energy: -426.358 where: short stacking energy: -197.735 Base-Backbone interact. energy: 2.337 local terms energy: -284.063701 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -52.830 tors. eta vs tors. theta energy: -33.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -664.968919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.968919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.968919 (E_RNA) where: Base-Base interactions energy: -414.191 where: short stacking energy: -180.811 Base-Backbone interact. energy: -1.848 local terms energy: -248.930082 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -56.188 flat angles C4'-P-C4' energy: -64.635 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -36.332 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: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -370.242791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.242791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.242791 (E_RNA) where: Base-Base interactions energy: -188.563 where: short stacking energy: -99.773 Base-Backbone interact. energy: 0.770 local terms energy: -182.449405 where: bonds (distance) C4'-P energy: -54.682 bonds (distance) P-C4' energy: -56.743 flat angles C4'-P-C4' energy: -54.810 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: 18.971 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: 134 Temperature: 1.350000 Total energy: -373.119204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.119204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.119204 (E_RNA) where: Base-Base interactions energy: -176.128 where: short stacking energy: -96.635 Base-Backbone interact. energy: 0.152 local terms energy: -197.143250 where: bonds (distance) C4'-P energy: -56.638 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -56.314 flat angles P-C4'-P energy: -33.988 tors. eta vs tors. theta energy: 9.619 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: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1227.620577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.620577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.620577 (E_RNA) where: Base-Base interactions energy: -864.790 where: short stacking energy: -358.377 Base-Backbone interact. energy: -0.886 local terms energy: -361.943774 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -71.417 flat angles C4'-P-C4' energy: -80.027 flat angles P-C4'-P energy: -37.194 tors. eta vs tors. theta energy: -100.081 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: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1159.058342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.058342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.058342 (E_RNA) where: Base-Base interactions energy: -784.942 where: short stacking energy: -372.032 Base-Backbone interact. energy: -1.727 local terms energy: -372.389075 where: bonds (distance) C4'-P energy: -74.264 bonds (distance) P-C4' energy: -71.597 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -112.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1111.753476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.753476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.753476 (E_RNA) where: Base-Base interactions energy: -766.374 where: short stacking energy: -326.211 Base-Backbone interact. energy: -1.648 local terms energy: -343.731291 where: bonds (distance) C4'-P energy: -63.666 bonds (distance) P-C4' energy: -68.743 flat angles C4'-P-C4' energy: -73.456 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -91.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1064.281747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.281747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.281747 (E_RNA) where: Base-Base interactions energy: -714.535 where: short stacking energy: -316.213 Base-Backbone interact. energy: 2.524 local terms energy: -352.270871 where: bonds (distance) C4'-P energy: -57.687 bonds (distance) P-C4' energy: -76.300 flat angles C4'-P-C4' energy: -73.945 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -92.142 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: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -933.247691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.247691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.247691 (E_RNA) where: Base-Base interactions energy: -603.263 where: short stacking energy: -266.164 Base-Backbone interact. energy: -1.940 local terms energy: -328.044441 where: bonds (distance) C4'-P energy: -71.347 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -75.871 flat angles P-C4'-P energy: -50.646 tors. eta vs tors. theta energy: -71.655 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: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -864.255625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.255625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.255625 (E_RNA) where: Base-Base interactions energy: -567.913 where: short stacking energy: -236.538 Base-Backbone interact. energy: -1.418 local terms energy: -294.924371 where: bonds (distance) C4'-P energy: -58.070 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -52.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -709.326497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.326497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.326497 (E_RNA) where: Base-Base interactions energy: -454.551 where: short stacking energy: -202.055 Base-Backbone interact. energy: -0.223 local terms energy: -254.552897 where: bonds (distance) C4'-P energy: -54.987 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -60.527 flat angles P-C4'-P energy: -37.946 tors. eta vs tors. theta energy: -32.854 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: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -639.897937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.897937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.897937 (E_RNA) where: Base-Base interactions energy: -387.110 where: short stacking energy: -200.797 Base-Backbone interact. energy: -1.621 local terms energy: -251.167877 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -58.668 flat angles P-C4'-P energy: -32.141 tors. eta vs tors. theta energy: -35.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -414.835495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.835495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.835495 (E_RNA) where: Base-Base interactions energy: -196.087 where: short stacking energy: -116.799 Base-Backbone interact. energy: -0.044 local terms energy: -218.705224 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -64.543 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -27.395 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -389.559526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.559526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.559526 (E_RNA) where: Base-Base interactions energy: -169.797 where: short stacking energy: -110.869 Base-Backbone interact. energy: -0.544 local terms energy: -219.218794 where: bonds (distance) C4'-P energy: -60.654 bonds (distance) P-C4' energy: -62.463 flat angles C4'-P-C4' energy: -55.852 flat angles P-C4'-P energy: -44.129 tors. eta vs tors. theta energy: 3.880 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: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1229.314708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.314708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.314708 (E_RNA) where: Base-Base interactions energy: -841.214 where: short stacking energy: -339.060 Base-Backbone interact. energy: -0.089 local terms energy: -388.012628 where: bonds (distance) C4'-P energy: -71.079 bonds (distance) P-C4' energy: -79.696 flat angles C4'-P-C4' energy: -82.240 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -108.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1149.148636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.148636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.148636 (E_RNA) where: Base-Base interactions energy: -770.531 where: short stacking energy: -345.363 Base-Backbone interact. energy: 1.023 local terms energy: -379.640567 where: bonds (distance) C4'-P energy: -68.157 bonds (distance) P-C4' energy: -75.855 flat angles C4'-P-C4' energy: -69.752 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -107.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1110.899839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.899839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.899839 (E_RNA) where: Base-Base interactions energy: -756.826 where: short stacking energy: -316.037 Base-Backbone interact. energy: -1.460 local terms energy: -352.613095 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -70.490 flat angles C4'-P-C4' energy: -69.256 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -92.285 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: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1086.236389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.236389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.236389 (E_RNA) where: Base-Base interactions energy: -719.856 where: short stacking energy: -315.226 Base-Backbone interact. energy: -1.786 local terms energy: -364.594979 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -68.259 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -51.657 tors. eta vs tors. theta energy: -100.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -908.716313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.716313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.716313 (E_RNA) where: Base-Base interactions energy: -594.706 where: short stacking energy: -262.593 Base-Backbone interact. energy: 1.384 local terms energy: -315.394741 where: bonds (distance) C4'-P energy: -75.006 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -69.985 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: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -858.711169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.711169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.711169 (E_RNA) where: Base-Base interactions energy: -563.814 where: short stacking energy: -242.788 Base-Backbone interact. energy: 2.183 local terms energy: -297.080257 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -62.925 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: -66.523 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: 136 Temperature: 1.200000 Total energy: -735.794691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.794691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.794691 (E_RNA) where: Base-Base interactions energy: -435.493 where: short stacking energy: -218.991 Base-Backbone interact. energy: -0.850 local terms energy: -299.452295 where: bonds (distance) C4'-P energy: -67.701 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -67.081 flat angles P-C4'-P energy: -39.044 tors. eta vs tors. theta energy: -56.353 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: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -711.135560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.135560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.135560 (E_RNA) where: Base-Base interactions energy: -446.826 where: short stacking energy: -197.980 Base-Backbone interact. energy: 2.186 local terms energy: -266.494626 where: bonds (distance) C4'-P energy: -44.709 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -62.221 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -45.476 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -434.195801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.195801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.195801 (E_RNA) where: Base-Base interactions energy: -227.044 where: short stacking energy: -116.845 Base-Backbone interact. energy: 0.606 local terms energy: -207.757835 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -68.705 flat angles C4'-P-C4' energy: -48.106 flat angles P-C4'-P energy: -15.843 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -359.599027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.599027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.599027 (E_RNA) where: Base-Base interactions energy: -153.305 where: short stacking energy: -103.016 Base-Backbone interact. energy: -1.962 local terms energy: -204.331677 where: bonds (distance) C4'-P energy: -54.309 bonds (distance) P-C4' energy: -57.814 flat angles C4'-P-C4' energy: -56.547 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: 5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1233.999132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.999132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.999132 (E_RNA) where: Base-Base interactions energy: -856.277 where: short stacking energy: -348.017 Base-Backbone interact. energy: -2.322 local terms energy: -375.400867 where: bonds (distance) C4'-P energy: -66.878 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -108.339 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: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1148.502192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.502192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.502192 (E_RNA) where: Base-Base interactions energy: -777.574 where: short stacking energy: -344.517 Base-Backbone interact. energy: -0.255 local terms energy: -370.673958 where: bonds (distance) C4'-P energy: -72.226 bonds (distance) P-C4' energy: -71.502 flat angles C4'-P-C4' energy: -76.763 flat angles P-C4'-P energy: -53.499 tors. eta vs tors. theta energy: -96.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1105.741393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.741393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.741393 (E_RNA) where: Base-Base interactions energy: -745.375 where: short stacking energy: -305.971 Base-Backbone interact. energy: -0.647 local terms energy: -359.719880 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -79.874 flat angles P-C4'-P energy: -53.335 tors. eta vs tors. theta energy: -87.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1072.967189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.967189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.967189 (E_RNA) where: Base-Base interactions energy: -709.567 where: short stacking energy: -324.062 Base-Backbone interact. energy: -0.633 local terms energy: -362.766837 where: bonds (distance) C4'-P energy: -64.786 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -84.343 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -91.714 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -872.452607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.452607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.452607 (E_RNA) where: Base-Base interactions energy: -531.176 where: short stacking energy: -252.877 Base-Backbone interact. energy: -0.961 local terms energy: -340.315810 where: bonds (distance) C4'-P energy: -78.133 bonds (distance) P-C4' energy: -73.018 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: -76.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -885.156937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.156937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.156937 (E_RNA) where: Base-Base interactions energy: -580.733 where: short stacking energy: -244.576 Base-Backbone interact. energy: -0.835 local terms energy: -303.588829 where: bonds (distance) C4'-P energy: -68.643 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: -64.340 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: 137 Temperature: 1.200000 Total energy: -722.904603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.904603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.904603 (E_RNA) where: Base-Base interactions energy: -435.393 where: short stacking energy: -222.512 Base-Backbone interact. energy: -0.128 local terms energy: -287.383516 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -69.078 flat angles P-C4'-P energy: -36.608 tors. eta vs tors. theta energy: -55.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -695.542663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.542663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.542663 (E_RNA) where: Base-Base interactions energy: -424.398 where: short stacking energy: -188.026 Base-Backbone interact. energy: -2.727 local terms energy: -268.417872 where: bonds (distance) C4'-P energy: -51.591 bonds (distance) P-C4' energy: -66.173 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -34.724 tors. eta vs tors. theta energy: -42.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -395.811607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.811607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.811607 (E_RNA) where: Base-Base interactions energy: -180.868 where: short stacking energy: -105.598 Base-Backbone interact. energy: 6.015 local terms energy: -220.958950 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -56.217 flat angles P-C4'-P energy: -40.398 tors. eta vs tors. theta energy: -9.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -368.276614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.276614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.276614 (E_RNA) where: Base-Base interactions energy: -163.155 where: short stacking energy: -66.400 Base-Backbone interact. energy: -0.442 local terms energy: -204.679234 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -60.895 flat angles P-C4'-P energy: -28.360 tors. eta vs tors. theta energy: 8.567 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: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1223.516207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.516207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.516207 (E_RNA) where: Base-Base interactions energy: -852.014 where: short stacking energy: -345.532 Base-Backbone interact. energy: -0.931 local terms energy: -370.571509 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -73.758 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -103.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1169.235846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.235846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.235846 (E_RNA) where: Base-Base interactions energy: -789.057 where: short stacking energy: -335.109 Base-Backbone interact. energy: 0.610 local terms energy: -380.789460 where: bonds (distance) C4'-P energy: -72.742 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -79.746 flat angles P-C4'-P energy: -51.718 tors. eta vs tors. theta energy: -108.358 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: 138 Temperature: 1.000000 Total energy: -1116.490506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.490506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.490506 (E_RNA) where: Base-Base interactions energy: -739.931 where: short stacking energy: -316.113 Base-Backbone interact. energy: -3.421 local terms energy: -373.138494 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -71.960 flat angles C4'-P-C4' energy: -76.795 flat angles P-C4'-P energy: -55.451 tors. eta vs tors. theta energy: -97.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1070.816174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.816174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.816174 (E_RNA) where: Base-Base interactions energy: -700.367 where: short stacking energy: -289.743 Base-Backbone interact. energy: -1.200 local terms energy: -369.249302 where: bonds (distance) C4'-P energy: -69.124 bonds (distance) P-C4' energy: -72.311 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -56.949 tors. eta vs tors. theta energy: -94.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -885.860101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.860101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.860101 (E_RNA) where: Base-Base interactions energy: -564.542 where: short stacking energy: -255.373 Base-Backbone interact. energy: 1.177 local terms energy: -322.496053 where: bonds (distance) C4'-P energy: -63.073 bonds (distance) P-C4' energy: -75.525 flat angles C4'-P-C4' energy: -75.985 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -62.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -905.979842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.979842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.979842 (E_RNA) where: Base-Base interactions energy: -584.475 where: short stacking energy: -259.022 Base-Backbone interact. energy: -0.126 local terms energy: -321.379606 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -57.398 flat angles C4'-P-C4' energy: -78.666 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -78.470 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: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -770.571758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.571758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.571758 (E_RNA) where: Base-Base interactions energy: -494.419 where: short stacking energy: -217.901 Base-Backbone interact. energy: 2.188 local terms energy: -278.340880 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -48.781 flat angles C4'-P-C4' energy: -59.764 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: -52.430 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: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -765.104173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.104173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.104173 (E_RNA) where: Base-Base interactions energy: -487.553 where: short stacking energy: -213.775 Base-Backbone interact. energy: 0.580 local terms energy: -278.131255 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -59.359 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -41.771 tors. eta vs tors. theta energy: -51.476 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: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -401.041381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.041381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.041381 (E_RNA) where: Base-Base interactions energy: -205.373 where: short stacking energy: -116.291 Base-Backbone interact. energy: 0.654 local terms energy: -196.322380 where: bonds (distance) C4'-P energy: -57.289 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -45.582 flat angles P-C4'-P energy: -36.326 tors. eta vs tors. theta energy: 0.529 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: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -348.181933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.181933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.181933 (E_RNA) where: Base-Base interactions energy: -144.182 where: short stacking energy: -89.993 Base-Backbone interact. energy: -1.062 local terms energy: -202.937165 where: bonds (distance) C4'-P energy: -53.674 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -50.623 flat angles P-C4'-P energy: -33.375 tors. eta vs tors. theta energy: 3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1229.368382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.368382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.368382 (E_RNA) where: Base-Base interactions energy: -857.836 where: short stacking energy: -355.359 Base-Backbone interact. energy: -1.339 local terms energy: -370.192832 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -69.118 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -54.581 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1165.217805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.217805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.217805 (E_RNA) where: Base-Base interactions energy: -797.578 where: short stacking energy: -349.333 Base-Backbone interact. energy: -2.447 local terms energy: -365.193001 where: bonds (distance) C4'-P energy: -68.785 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -39.023 tors. eta vs tors. theta energy: -102.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1144.678434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.678434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.678434 (E_RNA) where: Base-Base interactions energy: -795.070 where: short stacking energy: -325.083 Base-Backbone interact. energy: -1.489 local terms energy: -348.119518 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -80.068 flat angles P-C4'-P energy: -51.242 tors. eta vs tors. theta energy: -87.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1062.641845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.641845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.641845 (E_RNA) where: Base-Base interactions energy: -693.522 where: short stacking energy: -315.203 Base-Backbone interact. energy: -1.967 local terms energy: -367.153329 where: bonds (distance) C4'-P energy: -69.782 bonds (distance) P-C4' energy: -78.574 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -89.243 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: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -917.730817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.730817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.730817 (E_RNA) where: Base-Base interactions energy: -587.551 where: short stacking energy: -264.151 Base-Backbone interact. energy: -2.071 local terms energy: -328.108212 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -78.181 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -76.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -872.832530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.832530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.832530 (E_RNA) where: Base-Base interactions energy: -566.878 where: short stacking energy: -258.508 Base-Backbone interact. energy: 0.383 local terms energy: -306.337576 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -68.559 flat angles C4'-P-C4' energy: -57.249 flat angles P-C4'-P energy: -37.445 tors. eta vs tors. theta energy: -79.535 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: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -757.801001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.801001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.801001 (E_RNA) where: Base-Base interactions energy: -460.081 where: short stacking energy: -199.710 Base-Backbone interact. energy: -0.835 local terms energy: -296.884490 where: bonds (distance) C4'-P energy: -58.760 bonds (distance) P-C4' energy: -68.669 flat angles C4'-P-C4' energy: -71.882 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -52.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -729.187811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.187811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.187811 (E_RNA) where: Base-Base interactions energy: -448.277 where: short stacking energy: -195.976 Base-Backbone interact. energy: -1.490 local terms energy: -279.420872 where: bonds (distance) C4'-P energy: -50.612 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -54.503 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: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -421.037677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.037677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.037677 (E_RNA) where: Base-Base interactions energy: -202.034 where: short stacking energy: -101.773 Base-Backbone interact. energy: -1.206 local terms energy: -217.797606 where: bonds (distance) C4'-P energy: -56.543 bonds (distance) P-C4' energy: -60.621 flat angles C4'-P-C4' energy: -53.387 flat angles P-C4'-P energy: -39.352 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -351.508018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.508018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.508018 (E_RNA) where: Base-Base interactions energy: -149.456 where: short stacking energy: -108.695 Base-Backbone interact. energy: 3.955 local terms energy: -206.006372 where: bonds (distance) C4'-P energy: -52.103 bonds (distance) P-C4' energy: -63.357 flat angles C4'-P-C4' energy: -47.497 flat angles P-C4'-P energy: -36.668 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1191.877639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.877639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.877639 (E_RNA) where: Base-Base interactions energy: -795.979 where: short stacking energy: -362.034 Base-Backbone interact. energy: 0.451 local terms energy: -396.349700 where: bonds (distance) C4'-P energy: -77.560 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -75.174 flat angles P-C4'-P energy: -58.253 tors. eta vs tors. theta energy: -109.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1195.280511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.280511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.280511 (E_RNA) where: Base-Base interactions energy: -826.631 where: short stacking energy: -337.498 Base-Backbone interact. energy: 0.154 local terms energy: -368.803848 where: bonds (distance) C4'-P energy: -71.780 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: -101.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1096.994787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.994787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.994787 (E_RNA) where: Base-Base interactions energy: -761.713 where: short stacking energy: -303.249 Base-Backbone interact. energy: -2.226 local terms energy: -333.055765 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -74.056 flat angles P-C4'-P energy: -52.099 tors. eta vs tors. theta energy: -85.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1042.545787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.545787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.545787 (E_RNA) where: Base-Base interactions energy: -705.656 where: short stacking energy: -334.494 Base-Backbone interact. energy: -1.271 local terms energy: -335.619223 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -72.756 flat angles P-C4'-P energy: -48.057 tors. eta vs tors. theta energy: -95.041 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -905.932046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.932046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.932046 (E_RNA) where: Base-Base interactions energy: -595.312 where: short stacking energy: -279.043 Base-Backbone interact. energy: 0.161 local terms energy: -310.781252 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -69.434 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: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -866.608971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.608971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.608971 (E_RNA) where: Base-Base interactions energy: -550.462 where: short stacking energy: -259.249 Base-Backbone interact. energy: 2.564 local terms energy: -318.710455 where: bonds (distance) C4'-P energy: -73.706 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -43.180 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: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -732.093672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.093672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.093672 (E_RNA) where: Base-Base interactions energy: -460.598 where: short stacking energy: -196.153 Base-Backbone interact. energy: -1.435 local terms energy: -270.061151 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -62.160 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -40.370 tors. eta vs tors. theta energy: -40.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -680.405321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.405321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.405321 (E_RNA) where: Base-Base interactions energy: -420.157 where: short stacking energy: -217.029 Base-Backbone interact. energy: -2.181 local terms energy: -258.067464 where: bonds (distance) C4'-P energy: -53.860 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -60.242 flat angles P-C4'-P energy: -40.178 tors. eta vs tors. theta energy: -43.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -376.372909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.372909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.372909 (E_RNA) where: Base-Base interactions energy: -174.871 where: short stacking energy: -119.868 Base-Backbone interact. energy: -2.894 local terms energy: -198.607184 where: bonds (distance) C4'-P energy: -60.762 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -46.548 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: 0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -305.926445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.926445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.926445 (E_RNA) where: Base-Base interactions energy: -91.138 where: short stacking energy: -88.955 Base-Backbone interact. energy: -1.462 local terms energy: -213.325967 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -51.950 flat angles P-C4'-P energy: -29.634 tors. eta vs tors. theta energy: -0.907 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: 141 Temperature: 0.900000 Total energy: -1199.207919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.207919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.207919 (E_RNA) where: Base-Base interactions energy: -814.439 where: short stacking energy: -354.657 Base-Backbone interact. energy: -0.605 local terms energy: -384.163641 where: bonds (distance) C4'-P energy: -75.233 bonds (distance) P-C4' energy: -74.717 flat angles C4'-P-C4' energy: -80.816 flat angles P-C4'-P energy: -52.660 tors. eta vs tors. theta energy: -100.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1174.655923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.655923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.655923 (E_RNA) where: Base-Base interactions energy: -814.882 where: short stacking energy: -331.263 Base-Backbone interact. energy: 3.490 local terms energy: -363.263765 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -73.079 flat angles C4'-P-C4' energy: -75.680 flat angles P-C4'-P energy: -52.139 tors. eta vs tors. theta energy: -95.750 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: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1104.823847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.823847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.823847 (E_RNA) where: Base-Base interactions energy: -740.777 where: short stacking energy: -318.707 Base-Backbone interact. energy: -1.711 local terms energy: -362.336404 where: bonds (distance) C4'-P energy: -71.588 bonds (distance) P-C4' energy: -75.149 flat angles C4'-P-C4' energy: -80.134 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -84.251 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: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1047.671475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.671475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.671475 (E_RNA) where: Base-Base interactions energy: -687.428 where: short stacking energy: -314.764 Base-Backbone interact. energy: -2.868 local terms energy: -357.375118 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -72.263 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -47.817 tors. eta vs tors. theta energy: -95.975 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: 141 Temperature: 1.100000 Total energy: -885.458473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.458473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.458473 (E_RNA) where: Base-Base interactions energy: -589.451 where: short stacking energy: -267.320 Base-Backbone interact. energy: -1.075 local terms energy: -294.932636 where: bonds (distance) C4'-P energy: -55.626 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -36.313 tors. eta vs tors. theta energy: -67.142 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: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -843.549524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.549524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.549524 (E_RNA) where: Base-Base interactions energy: -534.988 where: short stacking energy: -236.685 Base-Backbone interact. energy: -0.678 local terms energy: -307.882934 where: bonds (distance) C4'-P energy: -63.103 bonds (distance) P-C4' energy: -69.799 flat angles C4'-P-C4' energy: -70.353 flat angles P-C4'-P energy: -44.189 tors. eta vs tors. theta energy: -60.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -722.486365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.486365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.486365 (E_RNA) where: Base-Base interactions energy: -420.735 where: short stacking energy: -221.402 Base-Backbone interact. energy: 1.039 local terms energy: -302.790687 where: bonds (distance) C4'-P energy: -71.540 bonds (distance) P-C4' energy: -75.246 flat angles C4'-P-C4' energy: -57.938 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -56.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -677.762557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.762557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.762557 (E_RNA) where: Base-Base interactions energy: -442.575 where: short stacking energy: -216.644 Base-Backbone interact. energy: -0.231 local terms energy: -234.956243 where: bonds (distance) C4'-P energy: -45.016 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -63.617 flat angles P-C4'-P energy: -34.823 tors. eta vs tors. theta energy: -32.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -456.106381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.106381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.106381 (E_RNA) where: Base-Base interactions energy: -244.631 where: short stacking energy: -137.665 Base-Backbone interact. energy: 1.622 local terms energy: -213.096904 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -59.811 flat angles C4'-P-C4' energy: -51.798 flat angles P-C4'-P energy: -27.196 tors. eta vs tors. theta energy: -15.830 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: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -298.210338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.210338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.210338 (E_RNA) where: Base-Base interactions energy: -101.684 where: short stacking energy: -93.503 Base-Backbone interact. energy: 0.207 local terms energy: -196.732690 where: bonds (distance) C4'-P energy: -56.347 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: 22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1221.667642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.667642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.667642 (E_RNA) where: Base-Base interactions energy: -851.638 where: short stacking energy: -349.788 Base-Backbone interact. energy: -0.081 local terms energy: -369.948297 where: bonds (distance) C4'-P energy: -73.911 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -80.308 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -98.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1191.068389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.068389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.068389 (E_RNA) where: Base-Base interactions energy: -823.838 where: short stacking energy: -366.205 Base-Backbone interact. energy: -2.303 local terms energy: -364.927561 where: bonds (distance) C4'-P energy: -69.715 bonds (distance) P-C4' energy: -58.947 flat angles C4'-P-C4' energy: -76.530 flat angles P-C4'-P energy: -48.468 tors. eta vs tors. theta energy: -111.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1098.114676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.114676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.114676 (E_RNA) where: Base-Base interactions energy: -739.801 where: short stacking energy: -309.906 Base-Backbone interact. energy: -2.213 local terms energy: -356.100949 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -62.678 flat angles P-C4'-P energy: -53.144 tors. eta vs tors. theta energy: -94.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1070.374334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.374334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.374334 (E_RNA) where: Base-Base interactions energy: -714.602 where: short stacking energy: -324.723 Base-Backbone interact. energy: -0.727 local terms energy: -355.045306 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -71.777 flat angles C4'-P-C4' energy: -75.925 flat angles P-C4'-P energy: -42.958 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: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -863.648968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.648968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.648968 (E_RNA) where: Base-Base interactions energy: -554.757 where: short stacking energy: -239.057 Base-Backbone interact. energy: 2.296 local terms energy: -311.187906 where: bonds (distance) C4'-P energy: -51.777 bonds (distance) P-C4' energy: -72.618 flat angles C4'-P-C4' energy: -70.567 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -62.414 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -890.610460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.610460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.610460 (E_RNA) where: Base-Base interactions energy: -579.905 where: short stacking energy: -258.151 Base-Backbone interact. energy: -0.129 local terms energy: -310.576016 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -65.389 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -61.946 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: 142 Temperature: 1.200000 Total energy: -771.805285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.805285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.805285 (E_RNA) where: Base-Base interactions energy: -481.277 where: short stacking energy: -213.014 Base-Backbone interact. energy: 1.550 local terms energy: -292.077917 where: bonds (distance) C4'-P energy: -72.036 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -73.065 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -43.870 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: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -661.535521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.535521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.535521 (E_RNA) where: Base-Base interactions energy: -385.681 where: short stacking energy: -192.417 Base-Backbone interact. energy: 0.477 local terms energy: -276.332364 where: bonds (distance) C4'-P energy: -67.479 bonds (distance) P-C4' energy: -63.714 flat angles C4'-P-C4' energy: -59.277 flat angles P-C4'-P energy: -41.975 tors. eta vs tors. theta energy: -43.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -466.182643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.182643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.182643 (E_RNA) where: Base-Base interactions energy: -232.580 where: short stacking energy: -123.685 Base-Backbone interact. energy: 1.095 local terms energy: -234.697904 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -28.818 tors. eta vs tors. theta energy: -9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -339.754771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.754771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.754771 (E_RNA) where: Base-Base interactions energy: -165.816 where: short stacking energy: -93.691 Base-Backbone interact. energy: -0.881 local terms energy: -173.057186 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -56.623 flat angles C4'-P-C4' energy: -43.602 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: 19.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1225.417984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.417984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.417984 (E_RNA) where: Base-Base interactions energy: -851.541 where: short stacking energy: -353.559 Base-Backbone interact. energy: -1.694 local terms energy: -372.182725 where: bonds (distance) C4'-P energy: -71.464 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -50.682 tors. eta vs tors. theta energy: -97.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1160.793980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.793980 (E_RNA) where: Base-Base interactions energy: -805.723 where: short stacking energy: -345.666 Base-Backbone interact. energy: -1.517 local terms energy: -353.553936 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -65.528 flat angles C4'-P-C4' energy: -75.038 flat angles P-C4'-P energy: -49.993 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: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1121.487940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.487940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.487940 (E_RNA) where: Base-Base interactions energy: -766.478 where: short stacking energy: -313.928 Base-Backbone interact. energy: -0.276 local terms energy: -354.733610 where: bonds (distance) C4'-P energy: -68.462 bonds (distance) P-C4' energy: -74.215 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -47.532 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1015.054821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.054821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.054821 (E_RNA) where: Base-Base interactions energy: -673.903 where: short stacking energy: -288.900 Base-Backbone interact. energy: -1.475 local terms energy: -339.676503 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -48.364 tors. eta vs tors. theta energy: -83.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -834.623520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.623520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.623520 (E_RNA) where: Base-Base interactions energy: -523.533 where: short stacking energy: -225.800 Base-Backbone interact. energy: -1.912 local terms energy: -309.178560 where: bonds (distance) C4'-P energy: -63.253 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -63.364 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -58.337 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: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -861.804979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.804979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.804979 (E_RNA) where: Base-Base interactions energy: -572.599 where: short stacking energy: -252.638 Base-Backbone interact. energy: -0.866 local terms energy: -288.339995 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -68.132 flat angles C4'-P-C4' energy: -59.251 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -60.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -750.144398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.144398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.144398 (E_RNA) where: Base-Base interactions energy: -488.091 where: short stacking energy: -207.966 Base-Backbone interact. energy: -1.632 local terms energy: -260.422102 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -61.397 flat angles C4'-P-C4' energy: -51.231 flat angles P-C4'-P energy: -40.214 tors. eta vs tors. theta energy: -41.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -663.935908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.935908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.935908 (E_RNA) where: Base-Base interactions energy: -417.953 where: short stacking energy: -209.453 Base-Backbone interact. energy: -1.593 local terms energy: -244.390260 where: bonds (distance) C4'-P energy: -69.456 bonds (distance) P-C4' energy: -40.884 flat angles C4'-P-C4' energy: -62.076 flat angles P-C4'-P energy: -34.086 tors. eta vs tors. theta energy: -37.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -381.305330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.305330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.305330 (E_RNA) where: Base-Base interactions energy: -159.660 where: short stacking energy: -108.669 Base-Backbone interact. energy: 1.921 local terms energy: -223.565772 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -75.572 flat angles C4'-P-C4' energy: -55.110 flat angles P-C4'-P energy: -27.368 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -387.821849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.821849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.821849 (E_RNA) where: Base-Base interactions energy: -166.174 where: short stacking energy: -104.085 Base-Backbone interact. energy: -0.788 local terms energy: -220.859934 where: bonds (distance) C4'-P energy: -55.404 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -63.133 flat angles P-C4'-P energy: -32.710 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1220.688205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.688205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.688205 (E_RNA) where: Base-Base interactions energy: -855.400 where: short stacking energy: -338.879 Base-Backbone interact. energy: -0.440 local terms energy: -364.848943 where: bonds (distance) C4'-P energy: -69.761 bonds (distance) P-C4' energy: -72.503 flat angles C4'-P-C4' energy: -82.594 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: -99.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1192.863569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.863569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.863569 (E_RNA) where: Base-Base interactions energy: -821.233 where: short stacking energy: -338.514 Base-Backbone interact. energy: -0.500 local terms energy: -371.130911 where: bonds (distance) C4'-P energy: -68.300 bonds (distance) P-C4' energy: -80.972 flat angles C4'-P-C4' energy: -74.900 flat angles P-C4'-P energy: -38.998 tors. eta vs tors. theta energy: -107.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1120.923757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.923757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.923757 (E_RNA) where: Base-Base interactions energy: -774.915 where: short stacking energy: -315.616 Base-Backbone interact. energy: -2.943 local terms energy: -343.065665 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -61.106 flat angles C4'-P-C4' energy: -82.993 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -85.840 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: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1034.959604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.959604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.959604 (E_RNA) where: Base-Base interactions energy: -698.447 where: short stacking energy: -294.707 Base-Backbone interact. energy: -2.018 local terms energy: -334.494327 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -70.707 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -82.420 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: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -862.624048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.624048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.624048 (E_RNA) where: Base-Base interactions energy: -562.298 where: short stacking energy: -243.676 Base-Backbone interact. energy: -2.417 local terms energy: -297.908368 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -70.004 flat angles P-C4'-P energy: -48.830 tors. eta vs tors. theta energy: -48.025 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: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -930.695467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.695467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.695467 (E_RNA) where: Base-Base interactions energy: -627.683 where: short stacking energy: -275.948 Base-Backbone interact. energy: -2.305 local terms energy: -300.706827 where: bonds (distance) C4'-P energy: -64.008 bonds (distance) P-C4' energy: -61.430 flat angles C4'-P-C4' energy: -60.416 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -755.620497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.620497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.620497 (E_RNA) where: Base-Base interactions energy: -473.601 where: short stacking energy: -231.497 Base-Backbone interact. energy: -0.297 local terms energy: -281.722150 where: bonds (distance) C4'-P energy: -65.682 bonds (distance) P-C4' energy: -52.984 flat angles C4'-P-C4' energy: -63.045 flat angles P-C4'-P energy: -35.167 tors. eta vs tors. theta energy: -64.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -647.770697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.770697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.770697 (E_RNA) where: Base-Base interactions energy: -364.656 where: short stacking energy: -169.413 Base-Backbone interact. energy: -2.009 local terms energy: -281.105699 where: bonds (distance) C4'-P energy: -69.306 bonds (distance) P-C4' energy: -66.125 flat angles C4'-P-C4' energy: -59.845 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -39.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -403.978935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.978935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.978935 (E_RNA) where: Base-Base interactions energy: -189.521 where: short stacking energy: -98.899 Base-Backbone interact. energy: -0.792 local terms energy: -213.666157 where: bonds (distance) C4'-P energy: -63.310 bonds (distance) P-C4' energy: -58.081 flat angles C4'-P-C4' energy: -55.548 flat angles P-C4'-P energy: -22.583 tors. eta vs tors. theta energy: -14.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -306.550522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.550522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.550522 (E_RNA) where: Base-Base interactions energy: -106.746 where: short stacking energy: -82.026 Base-Backbone interact. energy: -0.530 local terms energy: -199.275012 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -59.192 flat angles C4'-P-C4' energy: -51.269 flat angles P-C4'-P energy: -19.847 tors. eta vs tors. theta energy: -2.561 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: 145 Temperature: 0.900000 Total energy: -1217.156097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.156097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.156097 (E_RNA) where: Base-Base interactions energy: -844.278 where: short stacking energy: -344.969 Base-Backbone interact. energy: -0.880 local terms energy: -371.998018 where: bonds (distance) C4'-P energy: -73.184 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -84.851 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -97.254 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: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1186.117559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.117559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.117559 (E_RNA) where: Base-Base interactions energy: -814.316 where: short stacking energy: -342.521 Base-Backbone interact. energy: -1.261 local terms energy: -370.540281 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -61.932 flat angles C4'-P-C4' energy: -75.372 flat angles P-C4'-P energy: -53.482 tors. eta vs tors. theta energy: -109.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1120.372123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.372123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.372123 (E_RNA) where: Base-Base interactions energy: -753.302 where: short stacking energy: -323.732 Base-Backbone interact. energy: 0.790 local terms energy: -367.860277 where: bonds (distance) C4'-P energy: -81.510 bonds (distance) P-C4' energy: -74.090 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -42.731 tors. eta vs tors. theta energy: -87.222 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: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1036.905234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.905234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.905234 (E_RNA) where: Base-Base interactions energy: -697.933 where: short stacking energy: -295.969 Base-Backbone interact. energy: -1.298 local terms energy: -337.674210 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -69.077 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -90.808 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: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -971.215852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.215852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.215852 (E_RNA) where: Base-Base interactions energy: -653.032 where: short stacking energy: -276.855 Base-Backbone interact. energy: -1.155 local terms energy: -317.028035 where: bonds (distance) C4'-P energy: -62.625 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -70.222 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -79.929 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: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -919.141731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.141731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.141731 (E_RNA) where: Base-Base interactions energy: -602.140 where: short stacking energy: -250.384 Base-Backbone interact. energy: -0.633 local terms energy: -316.368904 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -49.199 tors. eta vs tors. theta energy: -65.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -781.985617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.985617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.985617 (E_RNA) where: Base-Base interactions energy: -506.102 where: short stacking energy: -239.125 Base-Backbone interact. energy: 3.946 local terms energy: -279.829780 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -70.321 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -36.588 tors. eta vs tors. theta energy: -49.964 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: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -589.287846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.287846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.287846 (E_RNA) where: Base-Base interactions energy: -324.216 where: short stacking energy: -157.481 Base-Backbone interact. energy: -0.495 local terms energy: -264.576920 where: bonds (distance) C4'-P energy: -58.570 bonds (distance) P-C4' energy: -61.080 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -37.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -446.964436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.964436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.964436 (E_RNA) where: Base-Base interactions energy: -234.370 where: short stacking energy: -135.295 Base-Backbone interact. energy: 2.516 local terms energy: -215.110999 where: bonds (distance) C4'-P energy: -45.822 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -45.353 flat angles P-C4'-P energy: -32.203 tors. eta vs tors. theta energy: -19.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -282.687742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.687742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.687742 (E_RNA) where: Base-Base interactions energy: -123.799 where: short stacking energy: -86.216 Base-Backbone interact. energy: 2.613 local terms energy: -161.502205 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -47.776 flat angles C4'-P-C4' energy: -49.405 flat angles P-C4'-P energy: -23.903 tors. eta vs tors. theta energy: 14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1194.758271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.758271 (E_RNA) where: Base-Base interactions energy: -821.096 where: short stacking energy: -359.469 Base-Backbone interact. energy: -1.453 local terms energy: -372.209094 where: bonds (distance) C4'-P energy: -69.906 bonds (distance) P-C4' energy: -77.635 flat angles C4'-P-C4' energy: -80.166 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -99.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1211.824754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.824754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.824754 (E_RNA) where: Base-Base interactions energy: -850.996 where: short stacking energy: -320.940 Base-Backbone interact. energy: 4.408 local terms energy: -365.236346 where: bonds (distance) C4'-P energy: -73.840 bonds (distance) P-C4' energy: -75.708 flat angles C4'-P-C4' energy: -81.310 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -90.974 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: 146 Temperature: 1.000000 Total energy: -1095.620145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.620145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.620145 (E_RNA) where: Base-Base interactions energy: -760.131 where: short stacking energy: -315.561 Base-Backbone interact. energy: 1.651 local terms energy: -337.139945 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -65.881 flat angles C4'-P-C4' energy: -78.728 flat angles P-C4'-P energy: -52.921 tors. eta vs tors. theta energy: -83.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1029.955279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.955279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.955279 (E_RNA) where: Base-Base interactions energy: -683.915 where: short stacking energy: -312.625 Base-Backbone interact. energy: -1.382 local terms energy: -344.658189 where: bonds (distance) C4'-P energy: -74.043 bonds (distance) P-C4' energy: -74.807 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: -82.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1021.327141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.327141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.327141 (E_RNA) where: Base-Base interactions energy: -710.121 where: short stacking energy: -299.563 Base-Backbone interact. energy: 0.939 local terms energy: -312.145556 where: bonds (distance) C4'-P energy: -64.365 bonds (distance) P-C4' energy: -67.253 flat angles C4'-P-C4' energy: -61.987 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -76.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -924.927861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.927861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.927861 (E_RNA) where: Base-Base interactions energy: -609.869 where: short stacking energy: -255.372 Base-Backbone interact. energy: -1.311 local terms energy: -313.747652 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -65.656 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -75.704 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: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -718.039773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.039773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.039773 (E_RNA) where: Base-Base interactions energy: -437.549 where: short stacking energy: -206.748 Base-Backbone interact. energy: -1.865 local terms energy: -278.625918 where: bonds (distance) C4'-P energy: -66.178 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -63.276 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: -40.963 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: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -592.771315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.771315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.771315 (E_RNA) where: Base-Base interactions energy: -332.168 where: short stacking energy: -164.310 Base-Backbone interact. energy: -0.905 local terms energy: -259.698238 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -57.372 flat angles C4'-P-C4' energy: -62.975 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -33.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -473.618372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.618372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.618372 (E_RNA) where: Base-Base interactions energy: -239.934 where: short stacking energy: -122.970 Base-Backbone interact. energy: 4.915 local terms energy: -238.599189 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -59.453 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -14.703 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: 146 Temperature: 1.350000 Total energy: -293.638052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.638052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.638052 (E_RNA) where: Base-Base interactions energy: -86.474 where: short stacking energy: -78.363 Base-Backbone interact. energy: 3.467 local terms energy: -210.630433 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -69.926 flat angles C4'-P-C4' energy: -47.626 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: 9.062 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: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1195.198497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.198497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.198497 (E_RNA) where: Base-Base interactions energy: -813.028 where: short stacking energy: -347.068 Base-Backbone interact. energy: -0.162 local terms energy: -382.007722 where: bonds (distance) C4'-P energy: -72.198 bonds (distance) P-C4' energy: -74.938 flat angles C4'-P-C4' energy: -77.269 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -102.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1196.427854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.427854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.427854 (E_RNA) where: Base-Base interactions energy: -832.955 where: short stacking energy: -348.969 Base-Backbone interact. energy: -1.135 local terms energy: -362.338659 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: -97.053 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: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1127.499043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.499043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.499043 (E_RNA) where: Base-Base interactions energy: -774.151 where: short stacking energy: -321.093 Base-Backbone interact. energy: -2.258 local terms energy: -351.089935 where: bonds (distance) C4'-P energy: -63.577 bonds (distance) P-C4' energy: -69.796 flat angles C4'-P-C4' energy: -72.379 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: -88.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1040.431674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.431674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.431674 (E_RNA) where: Base-Base interactions energy: -700.023 where: short stacking energy: -298.000 Base-Backbone interact. energy: 0.380 local terms energy: -340.788369 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -77.766 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -984.714003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.714003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.714003 (E_RNA) where: Base-Base interactions energy: -654.325 where: short stacking energy: -283.539 Base-Backbone interact. energy: -2.478 local terms energy: -327.910953 where: bonds (distance) C4'-P energy: -62.742 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -48.949 tors. eta vs tors. theta energy: -78.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -857.535813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.535813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.535813 (E_RNA) where: Base-Base interactions energy: -552.205 where: short stacking energy: -237.586 Base-Backbone interact. energy: -0.357 local terms energy: -304.974072 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -70.575 flat angles C4'-P-C4' energy: -61.944 flat angles P-C4'-P energy: -40.538 tors. eta vs tors. theta energy: -69.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -697.005203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.005203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.005203 (E_RNA) where: Base-Base interactions energy: -450.122 where: short stacking energy: -217.051 Base-Backbone interact. energy: -0.814 local terms energy: -246.069144 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -46.824 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -44.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -550.938688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.938688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.938688 (E_RNA) where: Base-Base interactions energy: -315.457 where: short stacking energy: -151.695 Base-Backbone interact. energy: 4.571 local terms energy: -240.052791 where: bonds (distance) C4'-P energy: -66.183 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -28.755 tors. eta vs tors. theta energy: -13.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -454.082234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.082234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.082234 (E_RNA) where: Base-Base interactions energy: -218.564 where: short stacking energy: -122.656 Base-Backbone interact. energy: -0.130 local terms energy: -235.387972 where: bonds (distance) C4'-P energy: -66.704 bonds (distance) P-C4' energy: -68.217 flat angles C4'-P-C4' energy: -62.296 flat angles P-C4'-P energy: -32.448 tors. eta vs tors. theta energy: -5.723 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -303.360433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.360433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.360433 (E_RNA) where: Base-Base interactions energy: -124.102 where: short stacking energy: -90.289 Base-Backbone interact. energy: -0.094 local terms energy: -179.165125 where: bonds (distance) C4'-P energy: -50.575 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -47.234 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: 2.722 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1222.429504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.429504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.429504 (E_RNA) where: Base-Base interactions energy: -863.740 where: short stacking energy: -334.406 Base-Backbone interact. energy: 0.196 local terms energy: -358.884862 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -64.073 flat angles C4'-P-C4' energy: -81.525 flat angles P-C4'-P energy: -50.681 tors. eta vs tors. theta energy: -93.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1173.141035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.141035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.141035 (E_RNA) where: Base-Base interactions energy: -813.645 where: short stacking energy: -340.782 Base-Backbone interact. energy: -2.173 local terms energy: -357.322969 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -72.762 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -103.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1120.730370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.730370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.730370 (E_RNA) where: Base-Base interactions energy: -766.246 where: short stacking energy: -297.869 Base-Backbone interact. energy: -0.064 local terms energy: -354.420780 where: bonds (distance) C4'-P energy: -63.382 bonds (distance) P-C4' energy: -72.298 flat angles C4'-P-C4' energy: -86.487 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -87.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1059.547954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.547954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.547954 (E_RNA) where: Base-Base interactions energy: -716.696 where: short stacking energy: -304.805 Base-Backbone interact. energy: -1.639 local terms energy: -341.213378 where: bonds (distance) C4'-P energy: -61.748 bonds (distance) P-C4' energy: -72.648 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -87.152 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: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -989.642959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.642959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.642959 (E_RNA) where: Base-Base interactions energy: -666.788 where: short stacking energy: -293.300 Base-Backbone interact. energy: -1.652 local terms energy: -321.203201 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -69.501 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -49.124 tors. eta vs tors. theta energy: -77.325 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: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -882.252511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.252511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.252511 (E_RNA) where: Base-Base interactions energy: -577.857 where: short stacking energy: -248.420 Base-Backbone interact. energy: 1.754 local terms energy: -306.149588 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -60.666 flat angles C4'-P-C4' energy: -62.477 flat angles P-C4'-P energy: -50.884 tors. eta vs tors. theta energy: -67.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -703.717689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.717689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.717689 (E_RNA) where: Base-Base interactions energy: -431.479 where: short stacking energy: -209.564 Base-Backbone interact. energy: 4.513 local terms energy: -276.751990 where: bonds (distance) C4'-P energy: -58.232 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -70.566 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: -48.288 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: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -640.248532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.248532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.248532 (E_RNA) where: Base-Base interactions energy: -370.948 where: short stacking energy: -168.985 Base-Backbone interact. energy: -0.959 local terms energy: -268.342242 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -31.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -476.722190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.722190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.722190 (E_RNA) where: Base-Base interactions energy: -252.394 where: short stacking energy: -147.130 Base-Backbone interact. energy: 0.717 local terms energy: -225.045519 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -65.798 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -288.771853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.771853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.771853 (E_RNA) where: Base-Base interactions energy: -99.551 where: short stacking energy: -82.684 Base-Backbone interact. energy: -3.098 local terms energy: -186.123057 where: bonds (distance) C4'-P energy: -63.631 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -15.131 tors. eta vs tors. theta energy: 3.475 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: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1229.345499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.345499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.345499 (E_RNA) where: Base-Base interactions energy: -867.028 where: short stacking energy: -352.050 Base-Backbone interact. energy: 0.250 local terms energy: -362.567679 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -71.897 flat angles C4'-P-C4' energy: -79.004 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -96.042 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: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1170.726292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.726292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.726292 (E_RNA) where: Base-Base interactions energy: -800.214 where: short stacking energy: -323.684 Base-Backbone interact. energy: -1.331 local terms energy: -369.181773 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -73.571 flat angles P-C4'-P energy: -55.474 tors. eta vs tors. theta energy: -100.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1124.201753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.201753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.201753 (E_RNA) where: Base-Base interactions energy: -766.500 where: short stacking energy: -318.214 Base-Backbone interact. energy: -2.166 local terms energy: -355.536274 where: bonds (distance) C4'-P energy: -65.913 bonds (distance) P-C4' energy: -72.006 flat angles C4'-P-C4' energy: -76.449 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -88.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1021.845073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.845073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.845073 (E_RNA) where: Base-Base interactions energy: -689.320 where: short stacking energy: -305.072 Base-Backbone interact. energy: 3.956 local terms energy: -336.480653 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -56.554 flat angles C4'-P-C4' energy: -79.771 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -87.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -927.259231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.259231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.259231 (E_RNA) where: Base-Base interactions energy: -601.733 where: short stacking energy: -256.773 Base-Backbone interact. energy: -0.368 local terms energy: -325.157672 where: bonds (distance) C4'-P energy: -68.813 bonds (distance) P-C4' energy: -64.362 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -68.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -865.801428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.801428 (E_RNA) where: Base-Base interactions energy: -552.767 where: short stacking energy: -251.369 Base-Backbone interact. energy: 2.621 local terms energy: -315.655001 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -72.495 flat angles P-C4'-P energy: -60.450 tors. eta vs tors. theta energy: -59.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -707.572175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.572175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.572175 (E_RNA) where: Base-Base interactions energy: -446.881 where: short stacking energy: -174.133 Base-Backbone interact. energy: -0.664 local terms energy: -260.027303 where: bonds (distance) C4'-P energy: -68.405 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -53.160 flat angles P-C4'-P energy: -33.389 tors. eta vs tors. theta energy: -39.118 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -620.448396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.448396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.448396 (E_RNA) where: Base-Base interactions energy: -364.239 where: short stacking energy: -179.711 Base-Backbone interact. energy: -0.245 local terms energy: -255.964271 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -58.778 flat angles C4'-P-C4' energy: -64.416 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: -39.872 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: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -481.533868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.533868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.533868 (E_RNA) where: Base-Base interactions energy: -273.974 where: short stacking energy: -140.565 Base-Backbone interact. energy: -0.470 local terms energy: -207.089475 where: bonds (distance) C4'-P energy: -66.624 bonds (distance) P-C4' energy: -66.420 flat angles C4'-P-C4' energy: -39.623 flat angles P-C4'-P energy: -29.306 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -286.645290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.645290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.645290 (E_RNA) where: Base-Base interactions energy: -95.131 where: short stacking energy: -68.951 Base-Backbone interact. energy: 0.302 local terms energy: -191.816237 where: bonds (distance) C4'-P energy: -55.549 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -48.605 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: 17.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1198.280773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.280773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.280773 (E_RNA) where: Base-Base interactions energy: -818.172 where: short stacking energy: -359.031 Base-Backbone interact. energy: -2.265 local terms energy: -377.843306 where: bonds (distance) C4'-P energy: -75.441 bonds (distance) P-C4' energy: -72.776 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -49.622 tors. eta vs tors. theta energy: -101.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1209.028905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.028905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.028905 (E_RNA) where: Base-Base interactions energy: -826.120 where: short stacking energy: -327.436 Base-Backbone interact. energy: -0.071 local terms energy: -382.838254 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -71.746 flat angles C4'-P-C4' energy: -74.322 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -96.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1132.793111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.793111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.793111 (E_RNA) where: Base-Base interactions energy: -759.877 where: short stacking energy: -322.604 Base-Backbone interact. energy: 1.759 local terms energy: -374.675313 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -74.826 flat angles C4'-P-C4' energy: -76.579 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -89.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1065.310302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.310302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.310302 (E_RNA) where: Base-Base interactions energy: -728.976 where: short stacking energy: -325.878 Base-Backbone interact. energy: -0.938 local terms energy: -335.395687 where: bonds (distance) C4'-P energy: -52.477 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -94.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -906.769665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.769665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.769665 (E_RNA) where: Base-Base interactions energy: -592.824 where: short stacking energy: -255.477 Base-Backbone interact. energy: -1.414 local terms energy: -312.532356 where: bonds (distance) C4'-P energy: -56.666 bonds (distance) P-C4' energy: -63.368 flat angles C4'-P-C4' energy: -78.606 flat angles P-C4'-P energy: -45.425 tors. eta vs tors. theta energy: -68.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -941.291812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.291812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.291812 (E_RNA) where: Base-Base interactions energy: -656.725 where: short stacking energy: -279.091 Base-Backbone interact. energy: 0.369 local terms energy: -284.935327 where: bonds (distance) C4'-P energy: -58.006 bonds (distance) P-C4' energy: -50.589 flat angles C4'-P-C4' energy: -52.381 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -77.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -749.640313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.640313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.640313 (E_RNA) where: Base-Base interactions energy: -492.984 where: short stacking energy: -221.466 Base-Backbone interact. energy: 4.747 local terms energy: -261.403459 where: bonds (distance) C4'-P energy: -56.548 bonds (distance) P-C4' energy: -69.806 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -23.695 tors. eta vs tors. theta energy: -45.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -616.660539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.660539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.660539 (E_RNA) where: Base-Base interactions energy: -370.770 where: short stacking energy: -175.465 Base-Backbone interact. energy: 0.192 local terms energy: -246.082079 where: bonds (distance) C4'-P energy: -55.982 bonds (distance) P-C4' energy: -68.351 flat angles C4'-P-C4' energy: -51.709 flat angles P-C4'-P energy: -34.228 tors. eta vs tors. theta energy: -35.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -565.735637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.735637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.735637 (E_RNA) where: Base-Base interactions energy: -307.218 where: short stacking energy: -157.351 Base-Backbone interact. energy: -0.691 local terms energy: -257.826168 where: bonds (distance) C4'-P energy: -65.380 bonds (distance) P-C4' energy: -57.115 flat angles C4'-P-C4' energy: -69.258 flat angles P-C4'-P energy: -29.423 tors. eta vs tors. theta energy: -36.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -287.332754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.332754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.332754 (E_RNA) where: Base-Base interactions energy: -86.021 where: short stacking energy: -82.763 Base-Backbone interact. energy: -0.941 local terms energy: -200.371651 where: bonds (distance) C4'-P energy: -69.368 bonds (distance) P-C4' energy: -61.904 flat angles C4'-P-C4' energy: -50.638 flat angles P-C4'-P energy: -27.585 tors. eta vs tors. theta energy: 9.124 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: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1204.056209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.056209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.056209 (E_RNA) where: Base-Base interactions energy: -823.966 where: short stacking energy: -348.611 Base-Backbone interact. energy: -0.787 local terms energy: -379.303204 where: bonds (distance) C4'-P energy: -69.577 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -104.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1201.350575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.350575 (E_RNA) where: Base-Base interactions energy: -839.884 where: short stacking energy: -330.067 Base-Backbone interact. energy: -0.766 local terms energy: -360.700007 where: bonds (distance) C4'-P energy: -56.226 bonds (distance) P-C4' energy: -79.464 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -43.294 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: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1108.091986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.091986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.091986 (E_RNA) where: Base-Base interactions energy: -754.848 where: short stacking energy: -331.587 Base-Backbone interact. energy: -0.212 local terms energy: -353.031580 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -73.984 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -87.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1045.806605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.806605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.806605 (E_RNA) where: Base-Base interactions energy: -692.044 where: short stacking energy: -307.381 Base-Backbone interact. energy: -1.644 local terms energy: -352.118131 where: bonds (distance) C4'-P energy: -64.493 bonds (distance) P-C4' energy: -75.108 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -86.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -939.733504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.733504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.733504 (E_RNA) where: Base-Base interactions energy: -627.113 where: short stacking energy: -258.842 Base-Backbone interact. energy: 0.613 local terms energy: -313.232660 where: bonds (distance) C4'-P energy: -65.781 bonds (distance) P-C4' energy: -65.943 flat angles C4'-P-C4' energy: -74.943 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: -67.281 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: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -944.829728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.829728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.829728 (E_RNA) where: Base-Base interactions energy: -614.007 where: short stacking energy: -266.638 Base-Backbone interact. energy: -2.581 local terms energy: -328.241473 where: bonds (distance) C4'-P energy: -65.985 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -37.166 tors. eta vs tors. theta energy: -88.438 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: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -735.391439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.391439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.391439 (E_RNA) where: Base-Base interactions energy: -452.687 where: short stacking energy: -212.916 Base-Backbone interact. energy: -1.357 local terms energy: -281.347717 where: bonds (distance) C4'-P energy: -59.209 bonds (distance) P-C4' energy: -77.441 flat angles C4'-P-C4' energy: -62.584 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -36.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -568.477545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.477545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.477545 (E_RNA) where: Base-Base interactions energy: -316.388 where: short stacking energy: -144.796 Base-Backbone interact. energy: -1.786 local terms energy: -250.303446 where: bonds (distance) C4'-P energy: -67.480 bonds (distance) P-C4' energy: -64.376 flat angles C4'-P-C4' energy: -65.717 flat angles P-C4'-P energy: -37.159 tors. eta vs tors. theta energy: -15.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -590.773272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.773272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.773272 (E_RNA) where: Base-Base interactions energy: -324.498 where: short stacking energy: -158.029 Base-Backbone interact. energy: -2.409 local terms energy: -263.865911 where: bonds (distance) C4'-P energy: -67.490 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -65.964 flat angles P-C4'-P energy: -24.741 tors. eta vs tors. theta energy: -36.612 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: 151 Temperature: 1.350000 Total energy: -301.102499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.102499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.102499 (E_RNA) where: Base-Base interactions energy: -102.395 where: short stacking energy: -90.107 Base-Backbone interact. energy: 1.807 local terms energy: -200.514970 where: bonds (distance) C4'-P energy: -71.762 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -41.822 flat angles P-C4'-P energy: -27.648 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1202.077389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.077389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.077389 (E_RNA) where: Base-Base interactions energy: -814.091 where: short stacking energy: -334.871 Base-Backbone interact. energy: 1.567 local terms energy: -389.553517 where: bonds (distance) C4'-P energy: -73.189 bonds (distance) P-C4' energy: -85.594 flat angles C4'-P-C4' energy: -76.448 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -106.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1198.581300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.581300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.581300 (E_RNA) where: Base-Base interactions energy: -842.533 where: short stacking energy: -318.282 Base-Backbone interact. energy: -1.505 local terms energy: -354.543316 where: bonds (distance) C4'-P energy: -67.290 bonds (distance) P-C4' energy: -76.340 flat angles C4'-P-C4' energy: -73.552 flat angles P-C4'-P energy: -49.898 tors. eta vs tors. theta energy: -87.462 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: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1115.357047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.357047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.357047 (E_RNA) where: Base-Base interactions energy: -752.729 where: short stacking energy: -323.976 Base-Backbone interact. energy: -1.681 local terms energy: -360.946885 where: bonds (distance) C4'-P energy: -69.323 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -73.477 flat angles P-C4'-P energy: -56.158 tors. eta vs tors. theta energy: -90.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1006.500280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.500280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.500280 (E_RNA) where: Base-Base interactions energy: -672.981 where: short stacking energy: -303.126 Base-Backbone interact. energy: -0.634 local terms energy: -332.885724 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -65.135 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -83.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -941.930739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.930739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.930739 (E_RNA) where: Base-Base interactions energy: -627.695 where: short stacking energy: -276.873 Base-Backbone interact. energy: -1.248 local terms energy: -312.987230 where: bonds (distance) C4'-P energy: -72.834 bonds (distance) P-C4' energy: -47.314 flat angles C4'-P-C4' energy: -70.688 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: -79.706 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: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -916.750580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.750580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.750580 (E_RNA) where: Base-Base interactions energy: -604.491 where: short stacking energy: -261.831 Base-Backbone interact. energy: -3.965 local terms energy: -308.295312 where: bonds (distance) C4'-P energy: -65.536 bonds (distance) P-C4' energy: -71.910 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -37.968 tors. eta vs tors. theta energy: -66.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -721.748001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.748001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.748001 (E_RNA) where: Base-Base interactions energy: -445.823 where: short stacking energy: -212.396 Base-Backbone interact. energy: -2.070 local terms energy: -273.854995 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -52.635 flat angles P-C4'-P energy: -40.298 tors. eta vs tors. theta energy: -54.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -568.004396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.004396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.004396 (E_RNA) where: Base-Base interactions energy: -347.457 where: short stacking energy: -156.213 Base-Backbone interact. energy: 1.002 local terms energy: -221.549500 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -46.247 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -523.147214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.147214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.147214 (E_RNA) where: Base-Base interactions energy: -286.625 where: short stacking energy: -137.484 Base-Backbone interact. energy: -1.266 local terms energy: -235.256183 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -61.520 flat angles P-C4'-P energy: -30.573 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -317.786092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.786092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.786092 (E_RNA) where: Base-Base interactions energy: -135.338 where: short stacking energy: -95.642 Base-Backbone interact. energy: 1.447 local terms energy: -183.894942 where: bonds (distance) C4'-P energy: -68.095 bonds (distance) P-C4' energy: -67.933 flat angles C4'-P-C4' energy: -37.520 flat angles P-C4'-P energy: -21.527 tors. eta vs tors. theta energy: 11.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1211.695477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.695477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.695477 (E_RNA) where: Base-Base interactions energy: -841.587 where: short stacking energy: -365.392 Base-Backbone interact. energy: 0.564 local terms energy: -370.672208 where: bonds (distance) C4'-P energy: -72.896 bonds (distance) P-C4' energy: -62.369 flat angles C4'-P-C4' energy: -78.210 flat angles P-C4'-P energy: -49.419 tors. eta vs tors. theta energy: -107.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1197.707816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.707816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.707816 (E_RNA) where: Base-Base interactions energy: -850.436 where: short stacking energy: -323.305 Base-Backbone interact. energy: 0.880 local terms energy: -348.151635 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -71.418 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -91.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1105.040339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.040339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.040339 (E_RNA) where: Base-Base interactions energy: -754.145 where: short stacking energy: -311.256 Base-Backbone interact. energy: -1.229 local terms energy: -349.666735 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -81.245 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -94.497 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1028.273966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.273966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.273966 (E_RNA) where: Base-Base interactions energy: -668.832 where: short stacking energy: -300.022 Base-Backbone interact. energy: -2.694 local terms energy: -356.748355 where: bonds (distance) C4'-P energy: -69.012 bonds (distance) P-C4' energy: -62.510 flat angles C4'-P-C4' energy: -78.850 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -91.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -957.502014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.502014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.502014 (E_RNA) where: Base-Base interactions energy: -624.372 where: short stacking energy: -274.314 Base-Backbone interact. energy: -0.807 local terms energy: -332.323022 where: bonds (distance) C4'-P energy: -67.399 bonds (distance) P-C4' energy: -70.256 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -54.565 tors. eta vs tors. theta energy: -64.376 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: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -924.345895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.345895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.345895 (E_RNA) where: Base-Base interactions energy: -632.361 where: short stacking energy: -268.464 Base-Backbone interact. energy: -0.464 local terms energy: -291.520694 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -61.348 flat angles C4'-P-C4' energy: -70.191 flat angles P-C4'-P energy: -39.484 tors. eta vs tors. theta energy: -59.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -674.702038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.702038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.702038 (E_RNA) where: Base-Base interactions energy: -400.900 where: short stacking energy: -189.782 Base-Backbone interact. energy: 2.443 local terms energy: -276.245234 where: bonds (distance) C4'-P energy: -73.371 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -50.268 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -44.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -594.480780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.480780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.480780 (E_RNA) where: Base-Base interactions energy: -339.413 where: short stacking energy: -180.632 Base-Backbone interact. energy: -1.526 local terms energy: -253.541843 where: bonds (distance) C4'-P energy: -52.735 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -64.678 flat angles P-C4'-P energy: -38.641 tors. eta vs tors. theta energy: -32.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -454.256468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.256468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.256468 (E_RNA) where: Base-Base interactions energy: -264.175 where: short stacking energy: -125.693 Base-Backbone interact. energy: -1.409 local terms energy: -188.672852 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -47.193 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: 16.515 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: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -299.271504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.271504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.271504 (E_RNA) where: Base-Base interactions energy: -113.022 where: short stacking energy: -67.699 Base-Backbone interact. energy: -0.369 local terms energy: -185.879960 where: bonds (distance) C4'-P energy: -47.736 bonds (distance) P-C4' energy: -58.107 flat angles C4'-P-C4' energy: -61.840 flat angles P-C4'-P energy: -33.682 tors. eta vs tors. theta energy: 15.485 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: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1226.611727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.611727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.611727 (E_RNA) where: Base-Base interactions energy: -852.903 where: short stacking energy: -361.181 Base-Backbone interact. energy: -1.741 local terms energy: -371.968270 where: bonds (distance) C4'-P energy: -67.342 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -108.297 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: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1209.454493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.454493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.454493 (E_RNA) where: Base-Base interactions energy: -852.426 where: short stacking energy: -349.171 Base-Backbone interact. energy: -1.223 local terms energy: -355.804777 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -75.230 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -96.308 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: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1065.795723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.795723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.795723 (E_RNA) where: Base-Base interactions energy: -714.097 where: short stacking energy: -306.937 Base-Backbone interact. energy: -0.579 local terms energy: -351.120233 where: bonds (distance) C4'-P energy: -71.753 bonds (distance) P-C4' energy: -70.418 flat angles C4'-P-C4' energy: -76.344 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -81.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1085.377145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.377145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.377145 (E_RNA) where: Base-Base interactions energy: -743.629 where: short stacking energy: -289.933 Base-Backbone interact. energy: -2.943 local terms energy: -338.804607 where: bonds (distance) C4'-P energy: -66.998 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -69.014 flat angles P-C4'-P energy: -47.852 tors. eta vs tors. theta energy: -86.681 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: 5, replica: 9 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -921.591113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.591113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.591113 (E_RNA) where: Base-Base interactions energy: -618.217 where: short stacking energy: -244.263 Base-Backbone interact. energy: -1.047 local terms energy: -302.327029 where: bonds (distance) C4'-P energy: -69.086 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -61.582 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: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -872.980638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.980638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.980638 (E_RNA) where: Base-Base interactions energy: -564.439 where: short stacking energy: -241.594 Base-Backbone interact. energy: -2.148 local terms energy: -306.394067 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -55.250 flat angles C4'-P-C4' energy: -74.002 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -66.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -699.091959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.091959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.091959 (E_RNA) where: Base-Base interactions energy: -413.492 where: short stacking energy: -213.603 Base-Backbone interact. energy: 1.142 local terms energy: -286.742491 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -70.135 flat angles C4'-P-C4' energy: -67.309 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -50.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -592.754402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.754402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.754402 (E_RNA) where: Base-Base interactions energy: -339.414 where: short stacking energy: -165.312 Base-Backbone interact. energy: 3.371 local terms energy: -256.711947 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -62.862 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -33.237 tors. eta vs tors. theta energy: -31.702 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: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -448.812138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.812138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.812138 (E_RNA) where: Base-Base interactions energy: -216.848 where: short stacking energy: -120.539 Base-Backbone interact. energy: 2.818 local terms energy: -234.782504 where: bonds (distance) C4'-P energy: -55.786 bonds (distance) P-C4' energy: -65.050 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -43.009 tors. eta vs tors. theta energy: -7.816 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: 154 Temperature: 1.350000 Total energy: -311.765154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.765154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.765154 (E_RNA) where: Base-Base interactions energy: -116.952 where: short stacking energy: -92.934 Base-Backbone interact. energy: -1.880 local terms energy: -192.933594 where: bonds (distance) C4'-P energy: -46.972 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -41.568 flat angles P-C4'-P energy: -33.540 tors. eta vs tors. theta energy: 4.733 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: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1217.828835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.828835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.828835 (E_RNA) where: Base-Base interactions energy: -841.149 where: short stacking energy: -353.553 Base-Backbone interact. energy: -2.263 local terms energy: -374.416140 where: bonds (distance) C4'-P energy: -70.746 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -85.813 flat angles P-C4'-P energy: -35.078 tors. eta vs tors. theta energy: -108.760 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: 155 Temperature: 0.950000 Total energy: -1198.891958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.891958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.891958 (E_RNA) where: Base-Base interactions energy: -851.989 where: short stacking energy: -328.651 Base-Backbone interact. energy: 1.244 local terms energy: -348.147547 where: bonds (distance) C4'-P energy: -70.674 bonds (distance) P-C4' energy: -79.222 flat angles C4'-P-C4' energy: -67.270 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -93.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1087.162788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.162788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.162788 (E_RNA) where: Base-Base interactions energy: -728.683 where: short stacking energy: -320.869 Base-Backbone interact. energy: 3.628 local terms energy: -362.107952 where: bonds (distance) C4'-P energy: -75.758 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -76.555 flat angles P-C4'-P energy: -46.595 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: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1114.995795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.995795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.995795 (E_RNA) where: Base-Base interactions energy: -760.182 where: short stacking energy: -308.804 Base-Backbone interact. energy: -1.740 local terms energy: -353.074244 where: bonds (distance) C4'-P energy: -70.189 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -54.653 tors. eta vs tors. theta energy: -92.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -923.930000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.930000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.930000 (E_RNA) where: Base-Base interactions energy: -607.444 where: short stacking energy: -239.334 Base-Backbone interact. energy: -0.029 local terms energy: -316.456796 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -73.347 flat angles C4'-P-C4' energy: -72.905 flat angles P-C4'-P energy: -49.385 tors. eta vs tors. theta energy: -66.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -885.917582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.917582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.917582 (E_RNA) where: Base-Base interactions energy: -613.812 where: short stacking energy: -258.084 Base-Backbone interact. energy: -3.332 local terms energy: -268.773319 where: bonds (distance) C4'-P energy: -52.960 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -27.346 tors. eta vs tors. theta energy: -54.895 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: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -746.860860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.860860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.860860 (E_RNA) where: Base-Base interactions energy: -491.328 where: short stacking energy: -222.133 Base-Backbone interact. energy: -1.274 local terms energy: -254.258721 where: bonds (distance) C4'-P energy: -58.678 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -51.975 flat angles P-C4'-P energy: -37.204 tors. eta vs tors. theta energy: -51.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -562.769077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.769077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.769077 (E_RNA) where: Base-Base interactions energy: -315.509 where: short stacking energy: -145.301 Base-Backbone interact. energy: -0.394 local terms energy: -246.866288 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -70.408 flat angles C4'-P-C4' energy: -61.882 flat angles P-C4'-P energy: -43.199 tors. eta vs tors. theta energy: -10.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -440.312906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.312906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.312906 (E_RNA) where: Base-Base interactions energy: -238.078 where: short stacking energy: -112.348 Base-Backbone interact. energy: -1.198 local terms energy: -201.036994 where: bonds (distance) C4'-P energy: -49.472 bonds (distance) P-C4' energy: -59.511 flat angles C4'-P-C4' energy: -55.568 flat angles P-C4'-P energy: -22.691 tors. eta vs tors. theta energy: -13.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -291.456563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.456563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.456563 (E_RNA) where: Base-Base interactions energy: -117.368 where: short stacking energy: -66.588 Base-Backbone interact. energy: 2.115 local terms energy: -176.203549 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -55.945 flat angles P-C4'-P energy: -20.589 tors. eta vs tors. theta energy: 18.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1240.130826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.130826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.130826 (E_RNA) where: Base-Base interactions energy: -868.205 where: short stacking energy: -342.089 Base-Backbone interact. energy: -2.916 local terms energy: -369.009778 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -76.247 flat angles P-C4'-P energy: -61.719 tors. eta vs tors. theta energy: -93.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1229.835267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.835267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.835267 (E_RNA) where: Base-Base interactions energy: -855.737 where: short stacking energy: -353.166 Base-Backbone interact. energy: -1.937 local terms energy: -372.161481 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -73.326 flat angles C4'-P-C4' energy: -73.418 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -106.658 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: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1111.702374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.702374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.702374 (E_RNA) where: Base-Base interactions energy: -746.097 where: short stacking energy: -314.770 Base-Backbone interact. energy: -4.062 local terms energy: -361.542939 where: bonds (distance) C4'-P energy: -75.155 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -72.307 flat angles P-C4'-P energy: -64.446 tors. eta vs tors. theta energy: -92.295 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: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1119.546181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.546181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.546181 (E_RNA) where: Base-Base interactions energy: -754.738 where: short stacking energy: -314.284 Base-Backbone interact. energy: -1.576 local terms energy: -363.231799 where: bonds (distance) C4'-P energy: -62.506 bonds (distance) P-C4' energy: -72.613 flat angles C4'-P-C4' energy: -80.121 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -920.918260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.918260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.918260 (E_RNA) where: Base-Base interactions energy: -609.252 where: short stacking energy: -256.271 Base-Backbone interact. energy: 1.637 local terms energy: -313.303248 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -73.055 flat angles C4'-P-C4' energy: -72.529 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -68.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -895.892254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.892254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.892254 (E_RNA) where: Base-Base interactions energy: -597.865 where: short stacking energy: -246.889 Base-Backbone interact. energy: 0.493 local terms energy: -298.520083 where: bonds (distance) C4'-P energy: -64.679 bonds (distance) P-C4' energy: -60.876 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -62.289 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -705.229502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.229502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.229502 (E_RNA) where: Base-Base interactions energy: -424.478 where: short stacking energy: -185.738 Base-Backbone interact. energy: 0.403 local terms energy: -281.154300 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -71.705 flat angles C4'-P-C4' energy: -59.783 flat angles P-C4'-P energy: -43.450 tors. eta vs tors. theta energy: -47.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -523.079830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.079830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.079830 (E_RNA) where: Base-Base interactions energy: -312.872 where: short stacking energy: -150.029 Base-Backbone interact. energy: 0.962 local terms energy: -211.170408 where: bonds (distance) C4'-P energy: -52.540 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -64.335 flat angles P-C4'-P energy: -20.073 tors. eta vs tors. theta energy: -15.595 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: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -494.879112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.879112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.879112 (E_RNA) where: Base-Base interactions energy: -288.426 where: short stacking energy: -133.227 Base-Backbone interact. energy: -0.629 local terms energy: -205.823333 where: bonds (distance) C4'-P energy: -44.497 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -59.171 flat angles P-C4'-P energy: -29.368 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -289.084032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.084032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.084032 (E_RNA) where: Base-Base interactions energy: -94.290 where: short stacking energy: -68.695 Base-Backbone interact. energy: 2.573 local terms energy: -197.366787 where: bonds (distance) C4'-P energy: -58.458 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -50.573 flat angles P-C4'-P energy: -28.660 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1234.247923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.247923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.247923 (E_RNA) where: Base-Base interactions energy: -850.763 where: short stacking energy: -339.531 Base-Backbone interact. energy: -1.717 local terms energy: -381.768027 where: bonds (distance) C4'-P energy: -78.165 bonds (distance) P-C4' energy: -73.301 flat angles C4'-P-C4' energy: -75.752 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -97.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1199.853258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.853258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.853258 (E_RNA) where: Base-Base interactions energy: -834.327 where: short stacking energy: -347.385 Base-Backbone interact. energy: -0.437 local terms energy: -365.089320 where: bonds (distance) C4'-P energy: -65.810 bonds (distance) P-C4' energy: -74.069 flat angles C4'-P-C4' energy: -81.547 flat angles P-C4'-P energy: -41.005 tors. eta vs tors. theta energy: -102.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1116.036616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.036616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.036616 (E_RNA) where: Base-Base interactions energy: -752.914 where: short stacking energy: -324.510 Base-Backbone interact. energy: -3.203 local terms energy: -359.919393 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -71.404 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -39.521 tors. eta vs tors. theta energy: -95.048 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: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1056.855407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.855407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.855407 (E_RNA) where: Base-Base interactions energy: -705.155 where: short stacking energy: -302.273 Base-Backbone interact. energy: 1.800 local terms energy: -353.500283 where: bonds (distance) C4'-P energy: -70.655 bonds (distance) P-C4' energy: -67.710 flat angles C4'-P-C4' energy: -76.549 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: -93.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -941.981179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.981179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.981179 (E_RNA) where: Base-Base interactions energy: -623.736 where: short stacking energy: -286.151 Base-Backbone interact. energy: -1.090 local terms energy: -317.154892 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -69.290 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -72.767 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: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -879.463978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.463978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.463978 (E_RNA) where: Base-Base interactions energy: -565.509 where: short stacking energy: -237.733 Base-Backbone interact. energy: 0.403 local terms energy: -314.357714 where: bonds (distance) C4'-P energy: -69.221 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -68.203 flat angles P-C4'-P energy: -43.117 tors. eta vs tors. theta energy: -70.411 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: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -676.387051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.387051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.387051 (E_RNA) where: Base-Base interactions energy: -394.024 where: short stacking energy: -196.556 Base-Backbone interact. energy: -0.810 local terms energy: -281.552733 where: bonds (distance) C4'-P energy: -69.051 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -28.462 tors. eta vs tors. theta energy: -40.748 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: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -496.293185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.293185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.293185 (E_RNA) where: Base-Base interactions energy: -268.254 where: short stacking energy: -140.289 Base-Backbone interact. energy: -1.256 local terms energy: -226.783568 where: bonds (distance) C4'-P energy: -65.433 bonds (distance) P-C4' energy: -57.963 flat angles C4'-P-C4' energy: -54.682 flat angles P-C4'-P energy: -32.961 tors. eta vs tors. theta energy: -15.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -508.895572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.895572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.895572 (E_RNA) where: Base-Base interactions energy: -266.284 where: short stacking energy: -143.886 Base-Backbone interact. energy: -1.364 local terms energy: -241.247563 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -64.007 flat angles C4'-P-C4' energy: -65.311 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -285.606006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.606006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.606006 (E_RNA) where: Base-Base interactions energy: -100.568 where: short stacking energy: -82.380 Base-Backbone interact. energy: -1.757 local terms energy: -183.281260 where: bonds (distance) C4'-P energy: -55.012 bonds (distance) P-C4' energy: -55.280 flat angles C4'-P-C4' energy: -58.165 flat angles P-C4'-P energy: -33.240 tors. eta vs tors. theta energy: 18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1251.066912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.066912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.066912 (E_RNA) where: Base-Base interactions energy: -882.306 where: short stacking energy: -330.416 Base-Backbone interact. energy: -0.922 local terms energy: -367.838796 where: bonds (distance) C4'-P energy: -67.717 bonds (distance) P-C4' energy: -77.484 flat angles C4'-P-C4' energy: -73.842 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -95.003 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: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1207.143890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.143890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.143890 (E_RNA) where: Base-Base interactions energy: -825.544 where: short stacking energy: -332.151 Base-Backbone interact. energy: -3.644 local terms energy: -377.955264 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -80.261 flat angles C4'-P-C4' energy: -85.766 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -100.229 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: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1085.142486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.142486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.142486 (E_RNA) where: Base-Base interactions energy: -727.041 where: short stacking energy: -319.925 Base-Backbone interact. energy: -2.519 local terms energy: -355.582274 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -74.741 flat angles P-C4'-P energy: -49.551 tors. eta vs tors. theta energy: -89.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1030.924247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.924247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.924247 (E_RNA) where: Base-Base interactions energy: -683.742 where: short stacking energy: -297.165 Base-Backbone interact. energy: -1.623 local terms energy: -345.559626 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -74.272 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -80.631 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: 158 Temperature: 1.100000 Total energy: -891.989145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.989145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.989145 (E_RNA) where: Base-Base interactions energy: -566.921 where: short stacking energy: -257.914 Base-Backbone interact. energy: -1.727 local terms energy: -323.340462 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -55.429 tors. eta vs tors. theta energy: -61.679 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: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -919.372817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.372817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.372817 (E_RNA) where: Base-Base interactions energy: -614.521 where: short stacking energy: -238.067 Base-Backbone interact. energy: -3.135 local terms energy: -301.717095 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -52.239 flat angles C4'-P-C4' energy: -70.416 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -69.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -679.250205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.250205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.250205 (E_RNA) where: Base-Base interactions energy: -436.759 where: short stacking energy: -203.238 Base-Backbone interact. energy: -0.481 local terms energy: -242.009993 where: bonds (distance) C4'-P energy: -44.197 bonds (distance) P-C4' energy: -58.445 flat angles C4'-P-C4' energy: -53.476 flat angles P-C4'-P energy: -37.428 tors. eta vs tors. theta energy: -48.464 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: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -541.382109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.382109 (E_RNA) where: Base-Base interactions energy: -287.426 where: short stacking energy: -164.633 Base-Backbone interact. energy: -0.697 local terms energy: -253.258532 where: bonds (distance) C4'-P energy: -68.643 bonds (distance) P-C4' energy: -55.634 flat angles C4'-P-C4' energy: -52.608 flat angles P-C4'-P energy: -43.791 tors. eta vs tors. theta energy: -32.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -467.320405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.320405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.320405 (E_RNA) where: Base-Base interactions energy: -257.170 where: short stacking energy: -141.074 Base-Backbone interact. energy: 2.432 local terms energy: -212.582830 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -55.318 flat angles P-C4'-P energy: -22.807 tors. eta vs tors. theta energy: -11.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -283.294538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.294538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.294538 (E_RNA) where: Base-Base interactions energy: -97.503 where: short stacking energy: -96.064 Base-Backbone interact. energy: 0.442 local terms energy: -186.232802 where: bonds (distance) C4'-P energy: -57.040 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -60.777 flat angles P-C4'-P energy: -20.883 tors. eta vs tors. theta energy: 9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1263.018126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.018126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.018126 (E_RNA) where: Base-Base interactions energy: -894.807 where: short stacking energy: -337.640 Base-Backbone interact. energy: -0.938 local terms energy: -367.272359 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -74.451 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -56.102 tors. eta vs tors. theta energy: -96.291 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: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1195.273314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.273314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.273314 (E_RNA) where: Base-Base interactions energy: -805.361 where: short stacking energy: -344.526 Base-Backbone interact. energy: -0.125 local terms energy: -389.786845 where: bonds (distance) C4'-P energy: -74.710 bonds (distance) P-C4' energy: -78.449 flat angles C4'-P-C4' energy: -82.198 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -110.548 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: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1057.380406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.380406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.380406 (E_RNA) where: Base-Base interactions energy: -732.712 where: short stacking energy: -302.350 Base-Backbone interact. energy: -0.244 local terms energy: -324.424535 where: bonds (distance) C4'-P energy: -64.297 bonds (distance) P-C4' energy: -67.718 flat angles C4'-P-C4' energy: -76.886 flat angles P-C4'-P energy: -36.476 tors. eta vs tors. theta energy: -79.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1043.133189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.133189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.133189 (E_RNA) where: Base-Base interactions energy: -686.000 where: short stacking energy: -304.275 Base-Backbone interact. energy: -1.147 local terms energy: -355.986520 where: bonds (distance) C4'-P energy: -76.905 bonds (distance) P-C4' energy: -62.004 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -87.656 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: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -906.333847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.333847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.333847 (E_RNA) where: Base-Base interactions energy: -584.456 where: short stacking energy: -229.357 Base-Backbone interact. energy: -1.187 local terms energy: -320.690826 where: bonds (distance) C4'-P energy: -72.566 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -70.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -892.590604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.590604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.590604 (E_RNA) where: Base-Base interactions energy: -585.825 where: short stacking energy: -257.972 Base-Backbone interact. energy: -1.736 local terms energy: -305.030020 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -46.284 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: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -686.808329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.808329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.808329 (E_RNA) where: Base-Base interactions energy: -405.388 where: short stacking energy: -206.402 Base-Backbone interact. energy: 0.108 local terms energy: -281.528265 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -45.077 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: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -550.448940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.448940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.448940 (E_RNA) where: Base-Base interactions energy: -327.899 where: short stacking energy: -146.769 Base-Backbone interact. energy: -2.533 local terms energy: -220.017314 where: bonds (distance) C4'-P energy: -36.472 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -64.596 flat angles P-C4'-P energy: -35.463 tors. eta vs tors. theta energy: -17.950 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: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -468.112612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.112612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.112612 (E_RNA) where: Base-Base interactions energy: -252.779 where: short stacking energy: -135.373 Base-Backbone interact. energy: -0.210 local terms energy: -215.123743 where: bonds (distance) C4'-P energy: -64.744 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -50.908 flat angles P-C4'-P energy: -32.126 tors. eta vs tors. theta energy: -10.613 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: 159 Temperature: 1.350000 Total energy: -310.692642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.692642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.692642 (E_RNA) where: Base-Base interactions energy: -121.920 where: short stacking energy: -68.791 Base-Backbone interact. energy: -1.334 local terms energy: -187.438894 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -64.448 flat angles C4'-P-C4' energy: -51.919 flat angles P-C4'-P energy: -18.150 tors. eta vs tors. theta energy: 7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1238.515149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.515149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.515149 (E_RNA) where: Base-Base interactions energy: -875.493 where: short stacking energy: -333.011 Base-Backbone interact. energy: -1.134 local terms energy: -361.888156 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -79.553 flat angles P-C4'-P energy: -50.141 tors. eta vs tors. theta energy: -89.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1188.819229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.819229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.819229 (E_RNA) where: Base-Base interactions energy: -819.800 where: short stacking energy: -353.161 Base-Backbone interact. energy: -2.115 local terms energy: -366.904120 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -79.033 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -104.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1081.871231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.871231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.871231 (E_RNA) where: Base-Base interactions energy: -720.355 where: short stacking energy: -309.342 Base-Backbone interact. energy: -2.978 local terms energy: -358.538133 where: bonds (distance) C4'-P energy: -74.236 bonds (distance) P-C4' energy: -66.991 flat angles C4'-P-C4' energy: -80.283 flat angles P-C4'-P energy: -47.294 tors. eta vs tors. theta energy: -89.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1032.815031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.815031 (E_RNA) where: Base-Base interactions energy: -705.918 where: short stacking energy: -305.282 Base-Backbone interact. energy: -1.990 local terms energy: -324.907879 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -64.822 flat angles C4'-P-C4' energy: -77.375 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -72.103 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -917.463154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.463154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.463154 (E_RNA) where: Base-Base interactions energy: -625.326 where: short stacking energy: -260.868 Base-Backbone interact. energy: 0.401 local terms energy: -292.537675 where: bonds (distance) C4'-P energy: -61.469 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -60.455 flat angles P-C4'-P energy: -50.605 tors. eta vs tors. theta energy: -60.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -859.489421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.489421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.489421 (E_RNA) where: Base-Base interactions energy: -560.977 where: short stacking energy: -235.374 Base-Backbone interact. energy: -1.969 local terms energy: -296.543023 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -77.782 flat angles C4'-P-C4' energy: -69.274 flat angles P-C4'-P energy: -40.460 tors. eta vs tors. theta energy: -47.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -655.346437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.346437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.346437 (E_RNA) where: Base-Base interactions energy: -379.229 where: short stacking energy: -191.038 Base-Backbone interact. energy: -1.088 local terms energy: -275.029619 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -68.879 flat angles C4'-P-C4' energy: -67.460 flat angles P-C4'-P energy: -32.105 tors. eta vs tors. theta energy: -43.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -582.459074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.459074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.459074 (E_RNA) where: Base-Base interactions energy: -341.316 where: short stacking energy: -169.654 Base-Backbone interact. energy: -0.232 local terms energy: -240.910985 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -40.714 flat angles C4'-P-C4' energy: -73.692 flat angles P-C4'-P energy: -27.422 tors. eta vs tors. theta energy: -34.747 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: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -491.810843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.810843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.810843 (E_RNA) where: Base-Base interactions energy: -260.478 where: short stacking energy: -165.933 Base-Backbone interact. energy: -2.836 local terms energy: -228.497387 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -51.006 flat angles P-C4'-P energy: -26.689 tors. eta vs tors. theta energy: -20.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -297.347632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.347632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.347632 (E_RNA) where: Base-Base interactions energy: -85.626 where: short stacking energy: -74.447 Base-Backbone interact. energy: 0.495 local terms energy: -212.216166 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -43.623 flat angles P-C4'-P energy: -37.040 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1257.093510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.093510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.093510 (E_RNA) where: Base-Base interactions energy: -897.638 where: short stacking energy: -346.277 Base-Backbone interact. energy: -3.049 local terms energy: -356.407087 where: bonds (distance) C4'-P energy: -76.378 bonds (distance) P-C4' energy: -56.961 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -98.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1193.459499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.459499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.459499 (E_RNA) where: Base-Base interactions energy: -813.180 where: short stacking energy: -346.413 Base-Backbone interact. energy: -1.908 local terms energy: -378.371312 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -78.083 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -100.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1080.442108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.442108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.442108 (E_RNA) where: Base-Base interactions energy: -713.367 where: short stacking energy: -299.339 Base-Backbone interact. energy: -2.875 local terms energy: -364.200175 where: bonds (distance) C4'-P energy: -61.876 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -53.223 tors. eta vs tors. theta energy: -82.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1031.312571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.312571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.312571 (E_RNA) where: Base-Base interactions energy: -698.002 where: short stacking energy: -282.463 Base-Backbone interact. energy: -2.000 local terms energy: -331.310334 where: bonds (distance) C4'-P energy: -64.945 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -74.212 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -82.327 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: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -921.221107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.221107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.221107 (E_RNA) where: Base-Base interactions energy: -618.635 where: short stacking energy: -262.633 Base-Backbone interact. energy: 2.505 local terms energy: -305.091022 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -64.304 flat angles C4'-P-C4' energy: -54.939 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -71.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -873.748590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.748590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.748590 (E_RNA) where: Base-Base interactions energy: -577.121 where: short stacking energy: -235.782 Base-Backbone interact. energy: -1.400 local terms energy: -295.227064 where: bonds (distance) C4'-P energy: -65.605 bonds (distance) P-C4' energy: -69.006 flat angles C4'-P-C4' energy: -61.690 flat angles P-C4'-P energy: -41.872 tors. eta vs tors. theta energy: -57.054 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: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -678.968174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.968174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.968174 (E_RNA) where: Base-Base interactions energy: -408.594 where: short stacking energy: -204.622 Base-Backbone interact. energy: -0.962 local terms energy: -269.411467 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -57.822 flat angles C4'-P-C4' energy: -59.799 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -38.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -528.703455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.703455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.703455 (E_RNA) where: Base-Base interactions energy: -297.960 where: short stacking energy: -151.155 Base-Backbone interact. energy: 1.992 local terms energy: -232.735342 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -47.724 flat angles P-C4'-P energy: -32.707 tors. eta vs tors. theta energy: -23.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -484.388438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.388438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.388438 (E_RNA) where: Base-Base interactions energy: -275.168 where: short stacking energy: -145.097 Base-Backbone interact. energy: 3.315 local terms energy: -212.535772 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -60.048 flat angles C4'-P-C4' energy: -53.295 flat angles P-C4'-P energy: -27.043 tors. eta vs tors. theta energy: -20.752 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: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -296.328337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.328337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.328337 (E_RNA) where: Base-Base interactions energy: -101.228 where: short stacking energy: -81.116 Base-Backbone interact. energy: 0.168 local terms energy: -195.268307 where: bonds (distance) C4'-P energy: -49.968 bonds (distance) P-C4' energy: -75.108 flat angles C4'-P-C4' energy: -40.251 flat angles P-C4'-P energy: -35.836 tors. eta vs tors. theta energy: 5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1242.850476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.850476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.850476 (E_RNA) where: Base-Base interactions energy: -859.306 where: short stacking energy: -326.885 Base-Backbone interact. energy: -3.338 local terms energy: -380.205965 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -73.692 flat angles C4'-P-C4' energy: -77.677 flat angles P-C4'-P energy: -54.582 tors. eta vs tors. theta energy: -97.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1192.956484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.956484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.956484 (E_RNA) where: Base-Base interactions energy: -822.321 where: short stacking energy: -349.630 Base-Backbone interact. energy: -4.290 local terms energy: -366.345732 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -106.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1121.543052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.543052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.543052 (E_RNA) where: Base-Base interactions energy: -759.648 where: short stacking energy: -321.950 Base-Backbone interact. energy: -0.788 local terms energy: -361.107032 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -53.173 tors. eta vs tors. theta energy: -97.578 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: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1053.095034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.095034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.095034 (E_RNA) where: Base-Base interactions energy: -707.428 where: short stacking energy: -285.433 Base-Backbone interact. energy: -1.280 local terms energy: -344.386869 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -79.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -915.039733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.039733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.039733 (E_RNA) where: Base-Base interactions energy: -594.722 where: short stacking energy: -273.477 Base-Backbone interact. energy: 1.367 local terms energy: -321.684597 where: bonds (distance) C4'-P energy: -66.005 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -67.307 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: -73.742 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: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -816.533747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.533747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.533747 (E_RNA) where: Base-Base interactions energy: -528.600 where: short stacking energy: -209.653 Base-Backbone interact. energy: -0.187 local terms energy: -287.746800 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -63.693 flat angles C4'-P-C4' energy: -74.231 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -44.446 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: 162 Temperature: 1.200000 Total energy: -682.403020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.403020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.403020 (E_RNA) where: Base-Base interactions energy: -411.810 where: short stacking energy: -206.096 Base-Backbone interact. energy: 0.480 local terms energy: -271.072903 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -29.659 tors. eta vs tors. theta energy: -44.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -511.161082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.161082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.161082 (E_RNA) where: Base-Base interactions energy: -277.968 where: short stacking energy: -163.950 Base-Backbone interact. energy: 0.868 local terms energy: -234.061066 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -67.056 flat angles C4'-P-C4' energy: -56.808 flat angles P-C4'-P energy: -33.736 tors. eta vs tors. theta energy: -9.719 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: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -442.770878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.770878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.770878 (E_RNA) where: Base-Base interactions energy: -234.055 where: short stacking energy: -122.120 Base-Backbone interact. energy: -1.989 local terms energy: -206.726906 where: bonds (distance) C4'-P energy: -64.098 bonds (distance) P-C4' energy: -47.061 flat angles C4'-P-C4' energy: -48.491 flat angles P-C4'-P energy: -31.647 tors. eta vs tors. theta energy: -15.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -290.981016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.981016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.981016 (E_RNA) where: Base-Base interactions energy: -73.114 where: short stacking energy: -72.778 Base-Backbone interact. energy: -0.853 local terms energy: -217.014233 where: bonds (distance) C4'-P energy: -65.658 bonds (distance) P-C4' energy: -75.276 flat angles C4'-P-C4' energy: -51.263 flat angles P-C4'-P energy: -29.642 tors. eta vs tors. theta energy: 4.825 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: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1259.624905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.624905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.624905 (E_RNA) where: Base-Base interactions energy: -882.475 where: short stacking energy: -340.109 Base-Backbone interact. energy: -3.503 local terms energy: -373.647155 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -75.789 flat angles C4'-P-C4' energy: -78.445 flat angles P-C4'-P energy: -48.393 tors. eta vs tors. theta energy: -101.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1201.946372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.946372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.946372 (E_RNA) where: Base-Base interactions energy: -808.656 where: short stacking energy: -341.810 Base-Backbone interact. energy: -2.460 local terms energy: -390.830195 where: bonds (distance) C4'-P energy: -74.252 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -77.762 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -116.871 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: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1126.668990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.668990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.668990 (E_RNA) where: Base-Base interactions energy: -769.350 where: short stacking energy: -330.289 Base-Backbone interact. energy: -1.330 local terms energy: -355.989238 where: bonds (distance) C4'-P energy: -68.848 bonds (distance) P-C4' energy: -59.362 flat angles C4'-P-C4' energy: -84.575 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -92.909 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: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1093.176122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.176122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.176122 (E_RNA) where: Base-Base interactions energy: -735.183 where: short stacking energy: -316.153 Base-Backbone interact. energy: -1.772 local terms energy: -356.221023 where: bonds (distance) C4'-P energy: -64.026 bonds (distance) P-C4' energy: -67.309 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: -102.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -928.195660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.195660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.195660 (E_RNA) where: Base-Base interactions energy: -599.517 where: short stacking energy: -255.868 Base-Backbone interact. energy: -1.664 local terms energy: -327.014333 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -75.728 flat angles P-C4'-P energy: -60.982 tors. eta vs tors. theta energy: -60.951 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: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -898.296987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.296987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.296987 (E_RNA) where: Base-Base interactions energy: -583.667 where: short stacking energy: -253.292 Base-Backbone interact. energy: -0.559 local terms energy: -314.070947 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -66.449 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -68.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -646.549506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.549506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.549506 (E_RNA) where: Base-Base interactions energy: -380.304 where: short stacking energy: -181.018 Base-Backbone interact. energy: 0.609 local terms energy: -266.854867 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -67.971 flat angles C4'-P-C4' energy: -58.794 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -33.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -551.047831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.047831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.047831 (E_RNA) where: Base-Base interactions energy: -300.608 where: short stacking energy: -160.505 Base-Backbone interact. energy: -1.661 local terms energy: -248.778832 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -60.659 flat angles P-C4'-P energy: -33.242 tors. eta vs tors. theta energy: -22.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -454.712505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.712505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.712505 (E_RNA) where: Base-Base interactions energy: -239.872 where: short stacking energy: -140.359 Base-Backbone interact. energy: -1.912 local terms energy: -212.928480 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -55.424 flat angles P-C4'-P energy: -26.907 tors. eta vs tors. theta energy: -2.610 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: 163 Temperature: 1.350000 Total energy: -294.238511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.238511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.238511 (E_RNA) where: Base-Base interactions energy: -89.785 where: short stacking energy: -68.537 Base-Backbone interact. energy: -3.905 local terms energy: -200.547838 where: bonds (distance) C4'-P energy: -66.720 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -52.327 flat angles P-C4'-P energy: -24.683 tors. eta vs tors. theta energy: 7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1275.863251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.863251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.863251 (E_RNA) where: Base-Base interactions energy: -890.931 where: short stacking energy: -344.619 Base-Backbone interact. energy: -1.684 local terms energy: -383.247836 where: bonds (distance) C4'-P energy: -78.542 bonds (distance) P-C4' energy: -76.740 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -101.694 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: 164 Temperature: 0.950000 Total energy: -1174.662333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.662333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.662333 (E_RNA) where: Base-Base interactions energy: -822.320 where: short stacking energy: -349.008 Base-Backbone interact. energy: -0.423 local terms energy: -351.919403 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -73.251 flat angles C4'-P-C4' energy: -75.660 flat angles P-C4'-P energy: -34.488 tors. eta vs tors. theta energy: -108.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1145.006479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.006479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.006479 (E_RNA) where: Base-Base interactions energy: -765.818 where: short stacking energy: -328.386 Base-Backbone interact. energy: -0.873 local terms energy: -378.315544 where: bonds (distance) C4'-P energy: -79.964 bonds (distance) P-C4' energy: -68.388 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -55.795 tors. eta vs tors. theta energy: -98.110 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: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1035.077557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.077557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.077557 (E_RNA) where: Base-Base interactions energy: -699.358 where: short stacking energy: -299.411 Base-Backbone interact. energy: -0.454 local terms energy: -335.266076 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -77.491 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: -87.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -999.959776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.959776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.959776 (E_RNA) where: Base-Base interactions energy: -686.017 where: short stacking energy: -274.011 Base-Backbone interact. energy: 8.246 local terms energy: -322.189059 where: bonds (distance) C4'-P energy: -57.256 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -69.956 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -74.860 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: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -938.056095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.056095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.056095 (E_RNA) where: Base-Base interactions energy: -630.682 where: short stacking energy: -258.468 Base-Backbone interact. energy: 0.160 local terms energy: -307.533638 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -67.260 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -70.335 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -702.310532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.310532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.310532 (E_RNA) where: Base-Base interactions energy: -421.623 where: short stacking energy: -198.389 Base-Backbone interact. energy: 1.951 local terms energy: -282.638850 where: bonds (distance) C4'-P energy: -59.628 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -42.626 tors. eta vs tors. theta energy: -44.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -513.521998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.521998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.521998 (E_RNA) where: Base-Base interactions energy: -287.185 where: short stacking energy: -142.890 Base-Backbone interact. energy: 4.466 local terms energy: -230.803077 where: bonds (distance) C4'-P energy: -54.279 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -57.642 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: -16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -436.776995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.776995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.776995 (E_RNA) where: Base-Base interactions energy: -212.232 where: short stacking energy: -128.945 Base-Backbone interact. energy: 1.104 local terms energy: -225.649720 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -59.939 flat angles P-C4'-P energy: -32.169 tors. eta vs tors. theta energy: -10.625 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: 164 Temperature: 1.350000 Total energy: -318.925178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.925178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.925178 (E_RNA) where: Base-Base interactions energy: -98.592 where: short stacking energy: -77.737 Base-Backbone interact. energy: -0.393 local terms energy: -219.940518 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -63.768 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -32.108 tors. eta vs tors. theta energy: 2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1257.183796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.183796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.183796 (E_RNA) where: Base-Base interactions energy: -893.016 where: short stacking energy: -347.384 Base-Backbone interact. energy: -1.465 local terms energy: -362.702574 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -76.345 flat angles C4'-P-C4' energy: -72.225 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -95.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1153.879870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.879870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.879870 (E_RNA) where: Base-Base interactions energy: -794.066 where: short stacking energy: -336.284 Base-Backbone interact. energy: -2.068 local terms energy: -357.745706 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -67.319 flat angles C4'-P-C4' energy: -71.279 flat angles P-C4'-P energy: -49.584 tors. eta vs tors. theta energy: -97.249 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: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1167.738891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.738891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.738891 (E_RNA) where: Base-Base interactions energy: -797.467 where: short stacking energy: -350.821 Base-Backbone interact. energy: -2.545 local terms energy: -367.726905 where: bonds (distance) C4'-P energy: -66.455 bonds (distance) P-C4' energy: -66.332 flat angles C4'-P-C4' energy: -74.607 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -104.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1042.313718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.313718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.313718 (E_RNA) where: Base-Base interactions energy: -694.903 where: short stacking energy: -288.201 Base-Backbone interact. energy: -0.472 local terms energy: -346.939327 where: bonds (distance) C4'-P energy: -69.362 bonds (distance) P-C4' energy: -69.580 flat angles C4'-P-C4' energy: -67.276 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -83.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -953.035385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.035385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.035385 (E_RNA) where: Base-Base interactions energy: -629.297 where: short stacking energy: -282.234 Base-Backbone interact. energy: -2.207 local terms energy: -321.531676 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -58.077 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -68.740 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: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -919.391867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.391867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.391867 (E_RNA) where: Base-Base interactions energy: -616.456 where: short stacking energy: -251.175 Base-Backbone interact. energy: -2.898 local terms energy: -300.038820 where: bonds (distance) C4'-P energy: -60.719 bonds (distance) P-C4' energy: -64.313 flat angles C4'-P-C4' energy: -70.244 flat angles P-C4'-P energy: -36.319 tors. eta vs tors. theta energy: -68.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -737.762309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.762309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.762309 (E_RNA) where: Base-Base interactions energy: -468.039 where: short stacking energy: -187.101 Base-Backbone interact. energy: -3.226 local terms energy: -266.496852 where: bonds (distance) C4'-P energy: -67.087 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -40.129 tors. eta vs tors. theta energy: -46.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -533.342003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.342003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.342003 (E_RNA) where: Base-Base interactions energy: -296.290 where: short stacking energy: -139.323 Base-Backbone interact. energy: 3.181 local terms energy: -240.232072 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -65.332 flat angles C4'-P-C4' energy: -66.997 flat angles P-C4'-P energy: -25.270 tors. eta vs tors. theta energy: -21.675 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: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -410.039071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.039071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.039071 (E_RNA) where: Base-Base interactions energy: -180.737 where: short stacking energy: -109.513 Base-Backbone interact. energy: 0.342 local terms energy: -229.643617 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -66.454 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -36.354 tors. eta vs tors. theta energy: -8.667 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: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -304.282207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.282207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.282207 (E_RNA) where: Base-Base interactions energy: -104.224 where: short stacking energy: -71.227 Base-Backbone interact. energy: 1.075 local terms energy: -201.133298 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -48.977 flat angles P-C4'-P energy: -31.850 tors. eta vs tors. theta energy: 2.485 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: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1249.579502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.579502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.579502 (E_RNA) where: Base-Base interactions energy: -891.032 where: short stacking energy: -336.434 Base-Backbone interact. energy: -1.012 local terms energy: -357.535328 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -73.726 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -93.874 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: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1151.422860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.422860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.422860 (E_RNA) where: Base-Base interactions energy: -802.830 where: short stacking energy: -331.490 Base-Backbone interact. energy: 3.872 local terms energy: -352.464603 where: bonds (distance) C4'-P energy: -70.562 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -94.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1187.763762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.763762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.763762 (E_RNA) where: Base-Base interactions energy: -810.347 where: short stacking energy: -339.067 Base-Backbone interact. energy: -2.544 local terms energy: -374.872377 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -78.844 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -114.327 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: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1075.017576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.017576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.017576 (E_RNA) where: Base-Base interactions energy: -718.309 where: short stacking energy: -323.964 Base-Backbone interact. energy: -1.871 local terms energy: -354.837540 where: bonds (distance) C4'-P energy: -63.233 bonds (distance) P-C4' energy: -70.231 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -94.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -947.343087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.343087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.343087 (E_RNA) where: Base-Base interactions energy: -620.825 where: short stacking energy: -239.994 Base-Backbone interact. energy: -0.392 local terms energy: -326.125937 where: bonds (distance) C4'-P energy: -73.765 bonds (distance) P-C4' energy: -67.905 flat angles C4'-P-C4' energy: -67.596 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -71.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -886.713962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.713962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.713962 (E_RNA) where: Base-Base interactions energy: -588.435 where: short stacking energy: -251.407 Base-Backbone interact. energy: -0.509 local terms energy: -297.769974 where: bonds (distance) C4'-P energy: -66.456 bonds (distance) P-C4' energy: -71.118 flat angles C4'-P-C4' energy: -58.126 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -63.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -672.790201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.790201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.790201 (E_RNA) where: Base-Base interactions energy: -394.536 where: short stacking energy: -174.508 Base-Backbone interact. energy: -0.685 local terms energy: -277.569406 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -74.955 flat angles C4'-P-C4' energy: -70.127 flat angles P-C4'-P energy: -48.111 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -549.302651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.302651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.302651 (E_RNA) where: Base-Base interactions energy: -327.957 where: short stacking energy: -160.056 Base-Backbone interact. energy: -0.434 local terms energy: -220.912333 where: bonds (distance) C4'-P energy: -55.387 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -56.820 flat angles P-C4'-P energy: -29.534 tors. eta vs tors. theta energy: -17.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -361.010595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.010595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.010595 (E_RNA) where: Base-Base interactions energy: -165.991 where: short stacking energy: -112.930 Base-Backbone interact. energy: 2.052 local terms energy: -197.071815 where: bonds (distance) C4'-P energy: -58.816 bonds (distance) P-C4' energy: -58.414 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -31.337 tors. eta vs tors. theta energy: 9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -277.720361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.720361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.720361 (E_RNA) where: Base-Base interactions energy: -106.434 where: short stacking energy: -91.061 Base-Backbone interact. energy: -2.633 local terms energy: -168.652794 where: bonds (distance) C4'-P energy: -45.151 bonds (distance) P-C4' energy: -58.876 flat angles C4'-P-C4' energy: -46.003 flat angles P-C4'-P energy: -23.963 tors. eta vs tors. theta energy: 5.340 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: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1257.582923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.582923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.582923 (E_RNA) where: Base-Base interactions energy: -882.441 where: short stacking energy: -344.920 Base-Backbone interact. energy: 2.681 local terms energy: -377.822595 where: bonds (distance) C4'-P energy: -68.530 bonds (distance) P-C4' energy: -79.737 flat angles C4'-P-C4' energy: -79.757 flat angles P-C4'-P energy: -52.088 tors. eta vs tors. theta energy: -97.710 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: 167 Temperature: 0.950000 Total energy: -1193.344117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.344117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.344117 (E_RNA) where: Base-Base interactions energy: -813.647 where: short stacking energy: -350.303 Base-Backbone interact. energy: -2.828 local terms energy: -376.869203 where: bonds (distance) C4'-P energy: -77.178 bonds (distance) P-C4' energy: -76.246 flat angles C4'-P-C4' energy: -73.792 flat angles P-C4'-P energy: -46.068 tors. eta vs tors. theta energy: -103.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1117.112803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.112803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.112803 (E_RNA) where: Base-Base interactions energy: -751.582 where: short stacking energy: -322.577 Base-Backbone interact. energy: -1.285 local terms energy: -364.245226 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -77.329 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -91.471 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1040.800018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.800018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.800018 (E_RNA) where: Base-Base interactions energy: -692.204 where: short stacking energy: -306.914 Base-Backbone interact. energy: 1.129 local terms energy: -349.725533 where: bonds (distance) C4'-P energy: -58.964 bonds (distance) P-C4' energy: -79.589 flat angles C4'-P-C4' energy: -73.664 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -89.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -942.113404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.113404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.113404 (E_RNA) where: Base-Base interactions energy: -620.933 where: short stacking energy: -263.049 Base-Backbone interact. energy: -2.702 local terms energy: -318.478381 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -66.090 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -78.285 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: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -834.047673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.047673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.047673 (E_RNA) where: Base-Base interactions energy: -522.354 where: short stacking energy: -222.674 Base-Backbone interact. energy: -1.319 local terms energy: -310.375465 where: bonds (distance) C4'-P energy: -73.407 bonds (distance) P-C4' energy: -69.608 flat angles C4'-P-C4' energy: -76.993 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -50.292 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: 167 Temperature: 1.200000 Total energy: -685.895287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.895287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.895287 (E_RNA) where: Base-Base interactions energy: -427.531 where: short stacking energy: -187.912 Base-Backbone interact. energy: 1.213 local terms energy: -259.577812 where: bonds (distance) C4'-P energy: -56.047 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -58.634 flat angles P-C4'-P energy: -36.186 tors. eta vs tors. theta energy: -46.409 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: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -524.723352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.723352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.723352 (E_RNA) where: Base-Base interactions energy: -266.532 where: short stacking energy: -145.358 Base-Backbone interact. energy: 1.127 local terms energy: -259.317587 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -20.035 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: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -369.953200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.953200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.953200 (E_RNA) where: Base-Base interactions energy: -147.183 where: short stacking energy: -109.001 Base-Backbone interact. energy: 0.898 local terms energy: -223.668517 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -61.495 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -345.972350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.972350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.972350 (E_RNA) where: Base-Base interactions energy: -150.210 where: short stacking energy: -81.029 Base-Backbone interact. energy: -1.315 local terms energy: -194.447608 where: bonds (distance) C4'-P energy: -59.293 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -57.147 flat angles P-C4'-P energy: -24.495 tors. eta vs tors. theta energy: 11.415 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: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1251.155591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.155591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.155591 (E_RNA) where: Base-Base interactions energy: -871.021 where: short stacking energy: -350.011 Base-Backbone interact. energy: -1.489 local terms energy: -378.645170 where: bonds (distance) C4'-P energy: -61.472 bonds (distance) P-C4' energy: -75.493 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -55.274 tors. eta vs tors. theta energy: -102.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1197.814090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.814090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.814090 (E_RNA) where: Base-Base interactions energy: -815.552 where: short stacking energy: -338.940 Base-Backbone interact. energy: 0.503 local terms energy: -382.765373 where: bonds (distance) C4'-P energy: -65.212 bonds (distance) P-C4' energy: -67.180 flat angles C4'-P-C4' energy: -86.522 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -105.029 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: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1119.612628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.612628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.612628 (E_RNA) where: Base-Base interactions energy: -758.293 where: short stacking energy: -333.711 Base-Backbone interact. energy: -0.630 local terms energy: -360.689463 where: bonds (distance) C4'-P energy: -72.394 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -75.987 flat angles P-C4'-P energy: -47.191 tors. eta vs tors. theta energy: -94.619 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: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1067.230834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.230834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.230834 (E_RNA) where: Base-Base interactions energy: -738.814 where: short stacking energy: -317.336 Base-Backbone interact. energy: -0.347 local terms energy: -328.069528 where: bonds (distance) C4'-P energy: -49.092 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -74.248 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -86.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -925.711185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.711185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.711185 (E_RNA) where: Base-Base interactions energy: -600.117 where: short stacking energy: -259.723 Base-Backbone interact. energy: -1.428 local terms energy: -324.166797 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -72.179 flat angles C4'-P-C4' energy: -67.137 flat angles P-C4'-P energy: -42.090 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: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -858.058439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.058439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.058439 (E_RNA) where: Base-Base interactions energy: -568.178 where: short stacking energy: -232.931 Base-Backbone interact. energy: -0.027 local terms energy: -289.853639 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -59.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -716.966134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.966134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.966134 (E_RNA) where: Base-Base interactions energy: -449.504 where: short stacking energy: -211.525 Base-Backbone interact. energy: 1.466 local terms energy: -268.928318 where: bonds (distance) C4'-P energy: -57.610 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -59.177 flat angles P-C4'-P energy: -39.815 tors. eta vs tors. theta energy: -54.043 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: 168 Temperature: 1.250000 Total energy: -490.191467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.191467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.191467 (E_RNA) where: Base-Base interactions energy: -252.232 where: short stacking energy: -138.233 Base-Backbone interact. energy: -2.693 local terms energy: -235.265864 where: bonds (distance) C4'-P energy: -72.510 bonds (distance) P-C4' energy: -61.278 flat angles C4'-P-C4' energy: -54.085 flat angles P-C4'-P energy: -30.454 tors. eta vs tors. theta energy: -16.939 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: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -392.720695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.720695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.720695 (E_RNA) where: Base-Base interactions energy: -182.302 where: short stacking energy: -103.477 Base-Backbone interact. energy: 1.088 local terms energy: -211.506624 where: bonds (distance) C4'-P energy: -54.978 bonds (distance) P-C4' energy: -68.022 flat angles C4'-P-C4' energy: -58.975 flat angles P-C4'-P energy: -34.206 tors. eta vs tors. theta energy: 4.675 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: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -371.831299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.831299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.831299 (E_RNA) where: Base-Base interactions energy: -178.078 where: short stacking energy: -94.801 Base-Backbone interact. energy: 1.281 local terms energy: -195.033966 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -58.598 flat angles P-C4'-P energy: -22.851 tors. eta vs tors. theta energy: 14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1241.127729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.127729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.127729 (E_RNA) where: Base-Base interactions energy: -869.995 where: short stacking energy: -350.642 Base-Backbone interact. energy: -2.124 local terms energy: -369.009007 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -68.821 flat angles C4'-P-C4' energy: -78.547 flat angles P-C4'-P energy: -54.500 tors. eta vs tors. theta energy: -97.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1192.153034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.153034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.153034 (E_RNA) where: Base-Base interactions energy: -814.454 where: short stacking energy: -347.506 Base-Backbone interact. energy: -0.502 local terms energy: -377.197279 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -72.457 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -53.662 tors. eta vs tors. theta energy: -100.910 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: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1102.979579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.979579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.979579 (E_RNA) where: Base-Base interactions energy: -747.325 where: short stacking energy: -325.239 Base-Backbone interact. energy: 0.134 local terms energy: -355.788250 where: bonds (distance) C4'-P energy: -65.945 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -85.137 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -92.041 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: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1046.120468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.120468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.120468 (E_RNA) where: Base-Base interactions energy: -701.328 where: short stacking energy: -274.283 Base-Backbone interact. energy: 0.464 local terms energy: -345.256601 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -56.890 tors. eta vs tors. theta energy: -74.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -956.196696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.196696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.196696 (E_RNA) where: Base-Base interactions energy: -660.176 where: short stacking energy: -278.693 Base-Backbone interact. energy: 0.868 local terms energy: -296.888507 where: bonds (distance) C4'-P energy: -64.917 bonds (distance) P-C4' energy: -62.380 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: -70.817 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: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -875.834977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.834977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.834977 (E_RNA) where: Base-Base interactions energy: -575.594 where: short stacking energy: -242.797 Base-Backbone interact. energy: -3.476 local terms energy: -296.765406 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -55.809 flat angles P-C4'-P energy: -52.916 tors. eta vs tors. theta energy: -67.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -669.454903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.454903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.454903 (E_RNA) where: Base-Base interactions energy: -394.396 where: short stacking energy: -191.393 Base-Backbone interact. energy: -1.126 local terms energy: -273.933378 where: bonds (distance) C4'-P energy: -63.951 bonds (distance) P-C4' energy: -65.440 flat angles C4'-P-C4' energy: -65.627 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -31.965 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: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -504.146564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.146564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.146564 (E_RNA) where: Base-Base interactions energy: -267.202 where: short stacking energy: -132.110 Base-Backbone interact. energy: -5.070 local terms energy: -231.874230 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -391.331607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.331607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.331607 (E_RNA) where: Base-Base interactions energy: -169.775 where: short stacking energy: -112.933 Base-Backbone interact. energy: -1.081 local terms energy: -220.475727 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -58.750 flat angles C4'-P-C4' energy: -58.779 flat angles P-C4'-P energy: -46.349 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -333.802762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.802762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.802762 (E_RNA) where: Base-Base interactions energy: -136.790 where: short stacking energy: -81.098 Base-Backbone interact. energy: 0.552 local terms energy: -197.564598 where: bonds (distance) C4'-P energy: -54.182 bonds (distance) P-C4' energy: -53.688 flat angles C4'-P-C4' energy: -61.342 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: 10.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1249.029287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.029287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.029287 (E_RNA) where: Base-Base interactions energy: -890.940 where: short stacking energy: -349.154 Base-Backbone interact. energy: -1.624 local terms energy: -356.465352 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -66.110 flat angles C4'-P-C4' energy: -80.381 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -99.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1225.116910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.116910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.116910 (E_RNA) where: Base-Base interactions energy: -848.587 where: short stacking energy: -341.317 Base-Backbone interact. energy: 0.506 local terms energy: -377.036269 where: bonds (distance) C4'-P energy: -79.752 bonds (distance) P-C4' energy: -67.384 flat angles C4'-P-C4' energy: -72.842 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -108.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1103.754160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.754160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.754160 (E_RNA) where: Base-Base interactions energy: -751.914 where: short stacking energy: -300.603 Base-Backbone interact. energy: -2.364 local terms energy: -349.476458 where: bonds (distance) C4'-P energy: -62.037 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -79.735 flat angles P-C4'-P energy: -36.518 tors. eta vs tors. theta energy: -93.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1019.082206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.082206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.082206 (E_RNA) where: Base-Base interactions energy: -697.967 where: short stacking energy: -287.101 Base-Backbone interact. energy: -0.829 local terms energy: -320.286396 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -76.595 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: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -962.489888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.489888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.489888 (E_RNA) where: Base-Base interactions energy: -671.213 where: short stacking energy: -289.708 Base-Backbone interact. energy: -0.277 local terms energy: -291.000091 where: bonds (distance) C4'-P energy: -59.766 bonds (distance) P-C4' energy: -53.461 flat angles C4'-P-C4' energy: -69.014 flat angles P-C4'-P energy: -23.311 tors. eta vs tors. theta energy: -85.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -888.600303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.600303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.600303 (E_RNA) where: Base-Base interactions energy: -597.123 where: short stacking energy: -256.571 Base-Backbone interact. energy: 0.747 local terms energy: -292.224529 where: bonds (distance) C4'-P energy: -60.120 bonds (distance) P-C4' energy: -70.215 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -28.882 tors. eta vs tors. theta energy: -69.526 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: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -643.836561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.836561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.836561 (E_RNA) where: Base-Base interactions energy: -405.559 where: short stacking energy: -160.918 Base-Backbone interact. energy: -0.726 local terms energy: -237.551045 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -59.038 flat angles C4'-P-C4' energy: -61.255 flat angles P-C4'-P energy: -31.239 tors. eta vs tors. theta energy: -24.676 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: 170 Temperature: 1.250000 Total energy: -507.523255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.523255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.523255 (E_RNA) where: Base-Base interactions energy: -272.238 where: short stacking energy: -142.760 Base-Backbone interact. energy: -2.132 local terms energy: -233.153019 where: bonds (distance) C4'-P energy: -61.078 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -45.659 flat angles P-C4'-P energy: -40.361 tors. eta vs tors. theta energy: -18.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -371.182121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.182121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.182121 (E_RNA) where: Base-Base interactions energy: -149.167 where: short stacking energy: -96.293 Base-Backbone interact. energy: -0.591 local terms energy: -221.424391 where: bonds (distance) C4'-P energy: -65.911 bonds (distance) P-C4' energy: -66.587 flat angles C4'-P-C4' energy: -56.493 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: 13.669 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: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -322.602264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.602264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.602264 (E_RNA) where: Base-Base interactions energy: -130.861 where: short stacking energy: -94.230 Base-Backbone interact. energy: 1.080 local terms energy: -192.821350 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -53.430 flat angles C4'-P-C4' energy: -49.187 flat angles P-C4'-P energy: -22.689 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1254.598289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.598289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.598289 (E_RNA) where: Base-Base interactions energy: -892.367 where: short stacking energy: -353.809 Base-Backbone interact. energy: -0.131 local terms energy: -362.100218 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -92.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1204.281628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.281628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.281628 (E_RNA) where: Base-Base interactions energy: -830.202 where: short stacking energy: -356.392 Base-Backbone interact. energy: -2.001 local terms energy: -372.078862 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -72.586 flat angles C4'-P-C4' energy: -80.444 flat angles P-C4'-P energy: -39.286 tors. eta vs tors. theta energy: -109.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1104.330872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.330872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.330872 (E_RNA) where: Base-Base interactions energy: -755.552 where: short stacking energy: -335.368 Base-Backbone interact. energy: -0.799 local terms energy: -347.979820 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -67.865 flat angles C4'-P-C4' energy: -81.926 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -95.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1061.245504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.245504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.245504 (E_RNA) where: Base-Base interactions energy: -736.231 where: short stacking energy: -292.560 Base-Backbone interact. energy: -1.053 local terms energy: -323.961630 where: bonds (distance) C4'-P energy: -62.469 bonds (distance) P-C4' energy: -53.949 flat angles C4'-P-C4' energy: -71.984 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -84.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -940.553261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.553261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.553261 (E_RNA) where: Base-Base interactions energy: -624.300 where: short stacking energy: -268.316 Base-Backbone interact. energy: 0.994 local terms energy: -317.246465 where: bonds (distance) C4'-P energy: -70.699 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -53.276 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: -74.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -899.261025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.261025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.261025 (E_RNA) where: Base-Base interactions energy: -583.185 where: short stacking energy: -283.444 Base-Backbone interact. energy: -0.761 local terms energy: -315.315278 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -75.983 flat angles C4'-P-C4' energy: -53.192 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -79.934 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: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -722.854828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.854828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.854828 (E_RNA) where: Base-Base interactions energy: -460.654 where: short stacking energy: -208.396 Base-Backbone interact. energy: 0.027 local terms energy: -262.227817 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -31.209 tors. eta vs tors. theta energy: -36.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -551.687009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.687009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.687009 (E_RNA) where: Base-Base interactions energy: -329.657 where: short stacking energy: -154.283 Base-Backbone interact. energy: -1.122 local terms energy: -220.907539 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -51.923 flat angles C4'-P-C4' energy: -52.763 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: -18.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -381.915187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.915187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.915187 (E_RNA) where: Base-Base interactions energy: -189.133 where: short stacking energy: -103.288 Base-Backbone interact. energy: -0.931 local terms energy: -191.850725 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -70.572 flat angles C4'-P-C4' energy: -51.225 flat angles P-C4'-P energy: -13.450 tors. eta vs tors. theta energy: 3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -293.263862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.263862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.263862 (E_RNA) where: Base-Base interactions energy: -106.840 where: short stacking energy: -86.082 Base-Backbone interact. energy: -1.706 local terms energy: -184.717052 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -39.878 flat angles P-C4'-P energy: -37.660 tors. eta vs tors. theta energy: 11.918 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: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1229.127608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.127608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.127608 (E_RNA) where: Base-Base interactions energy: -864.580 where: short stacking energy: -330.595 Base-Backbone interact. energy: -2.343 local terms energy: -362.204996 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -76.681 flat angles P-C4'-P energy: -50.335 tors. eta vs tors. theta energy: -90.924 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: 172 Temperature: 0.950000 Total energy: -1192.625857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.625857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.625857 (E_RNA) where: Base-Base interactions energy: -796.273 where: short stacking energy: -344.362 Base-Backbone interact. energy: -1.874 local terms energy: -394.478271 where: bonds (distance) C4'-P energy: -80.523 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -82.887 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -106.077 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: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1099.103785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.103785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.103785 (E_RNA) where: Base-Base interactions energy: -735.101 where: short stacking energy: -319.685 Base-Backbone interact. energy: 0.276 local terms energy: -364.278769 where: bonds (distance) C4'-P energy: -75.748 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -57.596 tors. eta vs tors. theta energy: -81.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1102.331268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.331268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.331268 (E_RNA) where: Base-Base interactions energy: -754.950 where: short stacking energy: -309.751 Base-Backbone interact. energy: -2.151 local terms energy: -345.229486 where: bonds (distance) C4'-P energy: -64.785 bonds (distance) P-C4' energy: -54.225 flat angles C4'-P-C4' energy: -81.970 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -86.113 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: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -954.236207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.236207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.236207 (E_RNA) where: Base-Base interactions energy: -600.294 where: short stacking energy: -272.765 Base-Backbone interact. energy: -2.051 local terms energy: -351.891866 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -74.974 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -80.155 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: 172 Temperature: 1.150000 Total energy: -873.345626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.345626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.345626 (E_RNA) where: Base-Base interactions energy: -564.973 where: short stacking energy: -239.708 Base-Backbone interact. energy: -3.102 local terms energy: -305.270316 where: bonds (distance) C4'-P energy: -61.557 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -64.834 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -66.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -702.264688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.264688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.264688 (E_RNA) where: Base-Base interactions energy: -442.447 where: short stacking energy: -212.464 Base-Backbone interact. energy: 0.577 local terms energy: -260.394982 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -71.538 flat angles C4'-P-C4' energy: -46.227 flat angles P-C4'-P energy: -39.914 tors. eta vs tors. theta energy: -43.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -522.387697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.387697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.387697 (E_RNA) where: Base-Base interactions energy: -272.778 where: short stacking energy: -156.074 Base-Backbone interact. energy: -0.765 local terms energy: -248.844442 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -66.837 flat angles C4'-P-C4' energy: -67.506 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: -18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -390.793867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.793867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.793867 (E_RNA) where: Base-Base interactions energy: -180.993 where: short stacking energy: -102.338 Base-Backbone interact. energy: 1.754 local terms energy: -211.555201 where: bonds (distance) C4'-P energy: -61.836 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -52.991 flat angles P-C4'-P energy: -34.045 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -285.483806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.483806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.483806 (E_RNA) where: Base-Base interactions energy: -91.628 where: short stacking energy: -66.313 Base-Backbone interact. energy: 2.314 local terms energy: -196.170070 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -57.131 flat angles P-C4'-P energy: -30.856 tors. eta vs tors. theta energy: 18.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1233.514794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.514794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.514794 (E_RNA) where: Base-Base interactions energy: -873.240 where: short stacking energy: -364.422 Base-Backbone interact. energy: -0.887 local terms energy: -359.387889 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -72.472 flat angles C4'-P-C4' energy: -73.138 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -95.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1229.690161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.690161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.690161 (E_RNA) where: Base-Base interactions energy: -845.276 where: short stacking energy: -360.135 Base-Backbone interact. energy: -1.666 local terms energy: -382.748672 where: bonds (distance) C4'-P energy: -59.912 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -82.329 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -112.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1108.402016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.402016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.402016 (E_RNA) where: Base-Base interactions energy: -755.682 where: short stacking energy: -328.921 Base-Backbone interact. energy: -2.337 local terms energy: -350.383530 where: bonds (distance) C4'-P energy: -65.928 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -77.536 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -93.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1099.499838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.499838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.499838 (E_RNA) where: Base-Base interactions energy: -758.513 where: short stacking energy: -316.627 Base-Backbone interact. energy: 0.378 local terms energy: -341.365336 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -74.064 flat angles P-C4'-P energy: -47.815 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: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -995.748377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.748377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.748377 (E_RNA) where: Base-Base interactions energy: -669.511 where: short stacking energy: -300.689 Base-Backbone interact. energy: 0.081 local terms energy: -326.318739 where: bonds (distance) C4'-P energy: -69.216 bonds (distance) P-C4' energy: -52.929 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -78.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -876.204280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.204280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.204280 (E_RNA) where: Base-Base interactions energy: -566.088 where: short stacking energy: -241.292 Base-Backbone interact. energy: -0.234 local terms energy: -309.881541 where: bonds (distance) C4'-P energy: -63.577 bonds (distance) P-C4' energy: -71.472 flat angles C4'-P-C4' energy: -66.704 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -58.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -636.825911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.825911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.825911 (E_RNA) where: Base-Base interactions energy: -394.934 where: short stacking energy: -163.149 Base-Backbone interact. energy: -1.460 local terms energy: -240.431974 where: bonds (distance) C4'-P energy: -56.390 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -56.339 flat angles P-C4'-P energy: -36.677 tors. eta vs tors. theta energy: -26.529 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: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -517.984087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.984087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.984087 (E_RNA) where: Base-Base interactions energy: -281.444 where: short stacking energy: -148.528 Base-Backbone interact. energy: -1.309 local terms energy: -235.231269 where: bonds (distance) C4'-P energy: -46.187 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -59.887 flat angles P-C4'-P energy: -36.761 tors. eta vs tors. theta energy: -26.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -382.047913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.047913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.047913 (E_RNA) where: Base-Base interactions energy: -173.738 where: short stacking energy: -89.048 Base-Backbone interact. energy: -0.926 local terms energy: -207.383725 where: bonds (distance) C4'-P energy: -63.319 bonds (distance) P-C4' energy: -69.353 flat angles C4'-P-C4' energy: -57.317 flat angles P-C4'-P energy: -27.047 tors. eta vs tors. theta energy: 9.653 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: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -321.876094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.876094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.876094 (E_RNA) where: Base-Base interactions energy: -127.933 where: short stacking energy: -102.264 Base-Backbone interact. energy: 4.628 local terms energy: -198.570996 where: bonds (distance) C4'-P energy: -52.108 bonds (distance) P-C4' energy: -56.093 flat angles C4'-P-C4' energy: -56.467 flat angles P-C4'-P energy: -23.550 tors. eta vs tors. theta energy: -10.354 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: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1256.187048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.187048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.187048 (E_RNA) where: Base-Base interactions energy: -892.142 where: short stacking energy: -354.024 Base-Backbone interact. energy: -1.177 local terms energy: -362.867777 where: bonds (distance) C4'-P energy: -67.304 bonds (distance) P-C4' energy: -74.076 flat angles C4'-P-C4' energy: -75.107 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -102.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1201.784035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.784035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.784035 (E_RNA) where: Base-Base interactions energy: -836.366 where: short stacking energy: -349.858 Base-Backbone interact. energy: 0.919 local terms energy: -366.336452 where: bonds (distance) C4'-P energy: -71.365 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -77.602 flat angles P-C4'-P energy: -45.144 tors. eta vs tors. theta energy: -103.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1117.970421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.970421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.970421 (E_RNA) where: Base-Base interactions energy: -753.737 where: short stacking energy: -328.430 Base-Backbone interact. energy: -2.287 local terms energy: -361.946662 where: bonds (distance) C4'-P energy: -72.069 bonds (distance) P-C4' energy: -71.715 flat angles C4'-P-C4' energy: -76.710 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -93.377 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1080.701560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.701560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.701560 (E_RNA) where: Base-Base interactions energy: -718.976 where: short stacking energy: -323.974 Base-Backbone interact. energy: -3.913 local terms energy: -357.812519 where: bonds (distance) C4'-P energy: -60.583 bonds (distance) P-C4' energy: -73.173 flat angles C4'-P-C4' energy: -77.200 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -91.510 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: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1010.180880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.180880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.180880 (E_RNA) where: Base-Base interactions energy: -682.351 where: short stacking energy: -294.477 Base-Backbone interact. energy: -1.055 local terms energy: -326.774821 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -66.444 flat angles C4'-P-C4' energy: -67.683 flat angles P-C4'-P energy: -40.880 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: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -888.749926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.749926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.749926 (E_RNA) where: Base-Base interactions energy: -614.646 where: short stacking energy: -258.529 Base-Backbone interact. energy: 1.026 local terms energy: -275.129926 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -73.657 flat angles C4'-P-C4' energy: -51.481 flat angles P-C4'-P energy: -38.547 tors. eta vs tors. theta energy: -55.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -584.815007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.815007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.815007 (E_RNA) where: Base-Base interactions energy: -359.083 where: short stacking energy: -165.031 Base-Backbone interact. energy: 2.341 local terms energy: -228.073392 where: bonds (distance) C4'-P energy: -43.863 bonds (distance) P-C4' energy: -66.548 flat angles C4'-P-C4' energy: -60.855 flat angles P-C4'-P energy: -33.089 tors. eta vs tors. theta energy: -23.720 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: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -477.995033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.995033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.995033 (E_RNA) where: Base-Base interactions energy: -248.185 where: short stacking energy: -137.028 Base-Backbone interact. energy: -0.780 local terms energy: -229.030165 where: bonds (distance) C4'-P energy: -77.728 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -47.249 flat angles P-C4'-P energy: -32.398 tors. eta vs tors. theta energy: -11.644 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: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -445.372317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.372317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.372317 (E_RNA) where: Base-Base interactions energy: -220.427 where: short stacking energy: -110.495 Base-Backbone interact. energy: -0.039 local terms energy: -224.906981 where: bonds (distance) C4'-P energy: -58.954 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -58.351 flat angles P-C4'-P energy: -36.958 tors. eta vs tors. theta energy: -13.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -272.662058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.662058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.662058 (E_RNA) where: Base-Base interactions energy: -91.724 where: short stacking energy: -79.036 Base-Backbone interact. energy: -2.308 local terms energy: -178.630934 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -40.395 flat angles P-C4'-P energy: -24.238 tors. eta vs tors. theta energy: 9.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1237.587903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.587903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.587903 (E_RNA) where: Base-Base interactions energy: -875.153 where: short stacking energy: -338.727 Base-Backbone interact. energy: -1.913 local terms energy: -360.521283 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -80.257 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -93.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1201.471533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.471533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.471533 (E_RNA) where: Base-Base interactions energy: -794.440 where: short stacking energy: -340.887 Base-Backbone interact. energy: -0.908 local terms energy: -406.122910 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -74.236 flat angles C4'-P-C4' energy: -84.359 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -108.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1128.252405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.252405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.252405 (E_RNA) where: Base-Base interactions energy: -772.280 where: short stacking energy: -322.194 Base-Backbone interact. energy: -3.169 local terms energy: -352.802868 where: bonds (distance) C4'-P energy: -67.530 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -87.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1076.454371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.454371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.454371 (E_RNA) where: Base-Base interactions energy: -736.984 where: short stacking energy: -320.141 Base-Backbone interact. energy: -0.560 local terms energy: -338.910615 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -54.449 tors. eta vs tors. theta energy: -87.151 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: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -977.572170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.572170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.572170 (E_RNA) where: Base-Base interactions energy: -668.809 where: short stacking energy: -291.188 Base-Backbone interact. energy: -0.913 local terms energy: -307.850344 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -62.308 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -80.958 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: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -866.160859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.160859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.160859 (E_RNA) where: Base-Base interactions energy: -564.335 where: short stacking energy: -246.745 Base-Backbone interact. energy: -2.153 local terms energy: -299.672992 where: bonds (distance) C4'-P energy: -66.757 bonds (distance) P-C4' energy: -52.226 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: -63.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -673.718970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.718970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.718970 (E_RNA) where: Base-Base interactions energy: -398.713 where: short stacking energy: -174.051 Base-Backbone interact. energy: -0.181 local terms energy: -274.825394 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -69.732 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -30.988 tors. eta vs tors. theta energy: -40.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -523.372238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.372238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.372238 (E_RNA) where: Base-Base interactions energy: -294.022 where: short stacking energy: -179.236 Base-Backbone interact. energy: 1.604 local terms energy: -230.953363 where: bonds (distance) C4'-P energy: -54.710 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -59.595 flat angles P-C4'-P energy: -30.846 tors. eta vs tors. theta energy: -18.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -441.101405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.101405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.101405 (E_RNA) where: Base-Base interactions energy: -216.547 where: short stacking energy: -115.232 Base-Backbone interact. energy: -1.514 local terms energy: -223.040183 where: bonds (distance) C4'-P energy: -57.256 bonds (distance) P-C4' energy: -62.673 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -315.717649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.717649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.717649 (E_RNA) where: Base-Base interactions energy: -111.698 where: short stacking energy: -101.335 Base-Backbone interact. energy: -1.168 local terms energy: -202.851225 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -52.329 flat angles C4'-P-C4' energy: -49.035 flat angles P-C4'-P energy: -32.332 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1251.830107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.830107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.830107 (E_RNA) where: Base-Base interactions energy: -884.772 where: short stacking energy: -345.868 Base-Backbone interact. energy: -0.083 local terms energy: -366.974382 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -74.430 flat angles C4'-P-C4' energy: -78.235 flat angles P-C4'-P energy: -49.363 tors. eta vs tors. theta energy: -97.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1195.396955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.396955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.396955 (E_RNA) where: Base-Base interactions energy: -821.846 where: short stacking energy: -362.836 Base-Backbone interact. energy: 1.533 local terms energy: -375.084826 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -67.486 flat angles C4'-P-C4' energy: -78.655 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -98.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1139.504832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.504832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.504832 (E_RNA) where: Base-Base interactions energy: -783.141 where: short stacking energy: -335.797 Base-Backbone interact. energy: -4.121 local terms energy: -352.243622 where: bonds (distance) C4'-P energy: -66.881 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -72.961 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: -97.932 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: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1050.877979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.877979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.877979 (E_RNA) where: Base-Base interactions energy: -710.360 where: short stacking energy: -302.675 Base-Backbone interact. energy: -0.939 local terms energy: -339.579153 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -74.095 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -89.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -952.450244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.450244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.450244 (E_RNA) where: Base-Base interactions energy: -625.645 where: short stacking energy: -272.501 Base-Backbone interact. energy: 0.265 local terms energy: -327.069863 where: bonds (distance) C4'-P energy: -55.212 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -73.795 flat angles P-C4'-P energy: -47.021 tors. eta vs tors. theta energy: -77.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -877.792072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.792072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.792072 (E_RNA) where: Base-Base interactions energy: -563.463 where: short stacking energy: -243.757 Base-Backbone interact. energy: -2.570 local terms energy: -311.759319 where: bonds (distance) C4'-P energy: -55.727 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -66.807 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: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -693.351407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.351407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.351407 (E_RNA) where: Base-Base interactions energy: -428.936 where: short stacking energy: -200.574 Base-Backbone interact. energy: 0.060 local terms energy: -264.475348 where: bonds (distance) C4'-P energy: -52.781 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -64.780 flat angles P-C4'-P energy: -38.713 tors. eta vs tors. theta energy: -42.972 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: 176 Temperature: 1.250000 Total energy: -487.195982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.195982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.195982 (E_RNA) where: Base-Base interactions energy: -235.972 where: short stacking energy: -131.940 Base-Backbone interact. energy: -0.123 local terms energy: -251.101177 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -54.945 flat angles C4'-P-C4' energy: -69.980 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -21.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -441.823347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.823347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.823347 (E_RNA) where: Base-Base interactions energy: -234.804 where: short stacking energy: -134.180 Base-Backbone interact. energy: 0.631 local terms energy: -207.650792 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -57.797 flat angles C4'-P-C4' energy: -47.434 flat angles P-C4'-P energy: -33.481 tors. eta vs tors. theta energy: -5.460 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: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -293.912034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.912034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.912034 (E_RNA) where: Base-Base interactions energy: -95.851 where: short stacking energy: -81.555 Base-Backbone interact. energy: -1.519 local terms energy: -196.541919 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -66.687 flat angles C4'-P-C4' energy: -45.933 flat angles P-C4'-P energy: -31.622 tors. eta vs tors. theta energy: 7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1230.591910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.591910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.591910 (E_RNA) where: Base-Base interactions energy: -859.829 where: short stacking energy: -337.522 Base-Backbone interact. energy: -0.972 local terms energy: -369.790376 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -76.131 flat angles C4'-P-C4' energy: -81.202 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -99.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1199.090124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.090124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.090124 (E_RNA) where: Base-Base interactions energy: -816.342 where: short stacking energy: -348.585 Base-Backbone interact. energy: -1.532 local terms energy: -381.216479 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -56.780 tors. eta vs tors. theta energy: -103.558 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1167.966955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.966955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.966955 (E_RNA) where: Base-Base interactions energy: -798.804 where: short stacking energy: -334.013 Base-Backbone interact. energy: -1.791 local terms energy: -367.372270 where: bonds (distance) C4'-P energy: -66.781 bonds (distance) P-C4' energy: -76.683 flat angles C4'-P-C4' energy: -77.781 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -93.476 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: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1051.727590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.727590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.727590 (E_RNA) where: Base-Base interactions energy: -709.894 where: short stacking energy: -294.761 Base-Backbone interact. energy: -3.719 local terms energy: -338.114636 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -70.772 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -84.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -907.690379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.690379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.690379 (E_RNA) where: Base-Base interactions energy: -623.183 where: short stacking energy: -252.578 Base-Backbone interact. energy: 0.418 local terms energy: -284.925635 where: bonds (distance) C4'-P energy: -58.366 bonds (distance) P-C4' energy: -59.170 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -57.301 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -899.964934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.964934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.964934 (E_RNA) where: Base-Base interactions energy: -588.675 where: short stacking energy: -243.279 Base-Backbone interact. energy: -0.556 local terms energy: -310.734172 where: bonds (distance) C4'-P energy: -56.958 bonds (distance) P-C4' energy: -60.896 flat angles C4'-P-C4' energy: -73.689 flat angles P-C4'-P energy: -51.203 tors. eta vs tors. theta energy: -67.988 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: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -766.761577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.761577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.761577 (E_RNA) where: Base-Base interactions energy: -489.579 where: short stacking energy: -207.752 Base-Backbone interact. energy: -1.189 local terms energy: -275.992985 where: bonds (distance) C4'-P energy: -70.343 bonds (distance) P-C4' energy: -63.376 flat angles C4'-P-C4' energy: -60.124 flat angles P-C4'-P energy: -40.755 tors. eta vs tors. theta energy: -41.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -539.654811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.654811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.654811 (E_RNA) where: Base-Base interactions energy: -303.769 where: short stacking energy: -162.173 Base-Backbone interact. energy: 0.199 local terms energy: -236.083999 where: bonds (distance) C4'-P energy: -55.748 bonds (distance) P-C4' energy: -61.469 flat angles C4'-P-C4' energy: -43.378 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -31.635 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: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -431.224920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.224920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.224920 (E_RNA) where: Base-Base interactions energy: -208.770 where: short stacking energy: -127.941 Base-Backbone interact. energy: -0.999 local terms energy: -221.455196 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -74.024 flat angles C4'-P-C4' energy: -59.995 flat angles P-C4'-P energy: -23.100 tors. eta vs tors. theta energy: -3.104 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -316.957328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.957328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.957328 (E_RNA) where: Base-Base interactions energy: -126.148 where: short stacking energy: -86.391 Base-Backbone interact. energy: 0.259 local terms energy: -191.068785 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -45.079 flat angles P-C4'-P energy: -27.830 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: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1249.615857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.615857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.615857 (E_RNA) where: Base-Base interactions energy: -879.603 where: short stacking energy: -350.424 Base-Backbone interact. energy: -0.768 local terms energy: -369.244897 where: bonds (distance) C4'-P energy: -71.776 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -96.076 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: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1193.160854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.160854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.160854 (E_RNA) where: Base-Base interactions energy: -839.959 where: short stacking energy: -355.992 Base-Backbone interact. energy: -2.120 local terms energy: -351.081468 where: bonds (distance) C4'-P energy: -69.338 bonds (distance) P-C4' energy: -67.824 flat angles C4'-P-C4' energy: -65.542 flat angles P-C4'-P energy: -40.490 tors. eta vs tors. theta energy: -107.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1132.190518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.190518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.190518 (E_RNA) where: Base-Base interactions energy: -769.695 where: short stacking energy: -315.678 Base-Backbone interact. energy: -2.389 local terms energy: -360.106088 where: bonds (distance) C4'-P energy: -70.465 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -77.961 flat angles P-C4'-P energy: -44.368 tors. eta vs tors. theta energy: -89.147 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: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1085.633022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.633022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.633022 (E_RNA) where: Base-Base interactions energy: -732.873 where: short stacking energy: -307.621 Base-Backbone interact. energy: -2.037 local terms energy: -350.722269 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -90.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -926.537473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.537473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.537473 (E_RNA) where: Base-Base interactions energy: -611.688 where: short stacking energy: -262.009 Base-Backbone interact. energy: -1.616 local terms energy: -313.233584 where: bonds (distance) C4'-P energy: -65.230 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -69.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -820.941978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.941978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.941978 (E_RNA) where: Base-Base interactions energy: -524.378 where: short stacking energy: -232.827 Base-Backbone interact. energy: -2.672 local terms energy: -293.892335 where: bonds (distance) C4'-P energy: -57.102 bonds (distance) P-C4' energy: -71.117 flat angles C4'-P-C4' energy: -69.838 flat angles P-C4'-P energy: -41.425 tors. eta vs tors. theta energy: -54.409 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: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -750.306369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.306369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.306369 (E_RNA) where: Base-Base interactions energy: -487.107 where: short stacking energy: -215.481 Base-Backbone interact. energy: -0.133 local terms energy: -263.066613 where: bonds (distance) C4'-P energy: -55.958 bonds (distance) P-C4' energy: -65.014 flat angles C4'-P-C4' energy: -65.351 flat angles P-C4'-P energy: -32.184 tors. eta vs tors. theta energy: -44.559 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: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -551.134946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.134946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.134946 (E_RNA) where: Base-Base interactions energy: -305.660 where: short stacking energy: -161.890 Base-Backbone interact. energy: 1.185 local terms energy: -246.659202 where: bonds (distance) C4'-P energy: -63.470 bonds (distance) P-C4' energy: -68.456 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -31.263 tors. eta vs tors. theta energy: -23.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -451.381984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.381984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.381984 (E_RNA) where: Base-Base interactions energy: -226.109 where: short stacking energy: -123.033 Base-Backbone interact. energy: -1.372 local terms energy: -223.901267 where: bonds (distance) C4'-P energy: -60.739 bonds (distance) P-C4' energy: -62.032 flat angles C4'-P-C4' energy: -48.520 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -6.487 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: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -288.727901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.727901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.727901 (E_RNA) where: Base-Base interactions energy: -113.687 where: short stacking energy: -63.255 Base-Backbone interact. energy: -0.235 local terms energy: -174.805194 where: bonds (distance) C4'-P energy: -52.137 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -48.823 flat angles P-C4'-P energy: -23.882 tors. eta vs tors. theta energy: 14.911 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: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1248.383906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.383906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.383906 (E_RNA) where: Base-Base interactions energy: -865.324 where: short stacking energy: -349.941 Base-Backbone interact. energy: -0.873 local terms energy: -382.186631 where: bonds (distance) C4'-P energy: -74.633 bonds (distance) P-C4' energy: -69.363 flat angles C4'-P-C4' energy: -87.915 flat angles P-C4'-P energy: -49.519 tors. eta vs tors. theta energy: -100.758 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: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1172.128527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.128527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.128527 (E_RNA) where: Base-Base interactions energy: -786.821 where: short stacking energy: -342.870 Base-Backbone interact. energy: 0.084 local terms energy: -385.391759 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -75.179 flat angles C4'-P-C4' energy: -80.772 flat angles P-C4'-P energy: -58.270 tors. eta vs tors. theta energy: -102.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1122.232701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.232701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.232701 (E_RNA) where: Base-Base interactions energy: -802.143 where: short stacking energy: -322.535 Base-Backbone interact. energy: 6.289 local terms energy: -326.378559 where: bonds (distance) C4'-P energy: -55.648 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -47.590 tors. eta vs tors. theta energy: -94.321 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: 179 Temperature: 1.050000 Total energy: -1086.985353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.985353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.985353 (E_RNA) where: Base-Base interactions energy: -731.764 where: short stacking energy: -313.271 Base-Backbone interact. energy: -1.247 local terms energy: -353.974227 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -58.085 tors. eta vs tors. theta energy: -88.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -974.731038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.731038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.731038 (E_RNA) where: Base-Base interactions energy: -632.536 where: short stacking energy: -284.153 Base-Backbone interact. energy: 2.463 local terms energy: -344.658145 where: bonds (distance) C4'-P energy: -74.089 bonds (distance) P-C4' energy: -76.685 flat angles C4'-P-C4' energy: -55.042 flat angles P-C4'-P energy: -53.184 tors. eta vs tors. theta energy: -85.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -830.006674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.006674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.006674 (E_RNA) where: Base-Base interactions energy: -539.680 where: short stacking energy: -236.724 Base-Backbone interact. energy: 1.462 local terms energy: -291.788606 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -65.429 flat angles C4'-P-C4' energy: -68.751 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -54.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -803.991724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.991724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.991724 (E_RNA) where: Base-Base interactions energy: -525.966 where: short stacking energy: -221.333 Base-Backbone interact. energy: -1.713 local terms energy: -276.312262 where: bonds (distance) C4'-P energy: -68.856 bonds (distance) P-C4' energy: -75.149 flat angles C4'-P-C4' energy: -49.180 flat angles P-C4'-P energy: -34.473 tors. eta vs tors. theta energy: -48.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -530.965336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.965336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.965336 (E_RNA) where: Base-Base interactions energy: -284.856 where: short stacking energy: -146.007 Base-Backbone interact. energy: -0.007 local terms energy: -246.102899 where: bonds (distance) C4'-P energy: -59.534 bonds (distance) P-C4' energy: -57.652 flat angles C4'-P-C4' energy: -56.317 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -27.998 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: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -481.777469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.777469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.777469 (E_RNA) where: Base-Base interactions energy: -251.865 where: short stacking energy: -125.352 Base-Backbone interact. energy: 1.019 local terms energy: -230.931329 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -63.870 flat angles C4'-P-C4' energy: -57.781 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -313.657199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.657199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.657199 (E_RNA) where: Base-Base interactions energy: -139.516 where: short stacking energy: -72.388 Base-Backbone interact. energy: -3.291 local terms energy: -170.849952 where: bonds (distance) C4'-P energy: -47.954 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -54.978 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: 30.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1203.887387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.887387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.887387 (E_RNA) where: Base-Base interactions energy: -825.873 where: short stacking energy: -328.196 Base-Backbone interact. energy: -2.133 local terms energy: -375.881322 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -87.160 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -98.307 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: 180 Temperature: 0.950000 Total energy: -1193.736475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.736475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.736475 (E_RNA) where: Base-Base interactions energy: -834.969 where: short stacking energy: -351.923 Base-Backbone interact. energy: 1.440 local terms energy: -360.207813 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -77.655 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -103.562 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: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1131.291500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.291500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.291500 (E_RNA) where: Base-Base interactions energy: -795.976 where: short stacking energy: -331.572 Base-Backbone interact. energy: 2.649 local terms energy: -337.964353 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -82.400 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -89.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1094.353557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.353557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.353557 (E_RNA) where: Base-Base interactions energy: -749.839 where: short stacking energy: -310.768 Base-Backbone interact. energy: -1.497 local terms energy: -343.017851 where: bonds (distance) C4'-P energy: -70.115 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -75.190 flat angles P-C4'-P energy: -44.932 tors. eta vs tors. theta energy: -87.179 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: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -999.344326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.344326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.344326 (E_RNA) where: Base-Base interactions energy: -669.630 where: short stacking energy: -270.484 Base-Backbone interact. energy: 0.234 local terms energy: -329.947496 where: bonds (distance) C4'-P energy: -67.919 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -77.449 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -76.039 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: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -838.888974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.888974 (E_RNA) where: Base-Base interactions energy: -536.321 where: short stacking energy: -238.819 Base-Backbone interact. energy: -1.269 local terms energy: -301.298753 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -61.813 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -51.965 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: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -786.073962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.073962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.073962 (E_RNA) where: Base-Base interactions energy: -521.071 where: short stacking energy: -224.032 Base-Backbone interact. energy: 1.583 local terms energy: -266.585340 where: bonds (distance) C4'-P energy: -70.674 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -52.024 flat angles P-C4'-P energy: -28.047 tors. eta vs tors. theta energy: -52.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -526.360473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.360473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.360473 (E_RNA) where: Base-Base interactions energy: -281.416 where: short stacking energy: -127.627 Base-Backbone interact. energy: -1.683 local terms energy: -243.261322 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -66.117 flat angles P-C4'-P energy: -33.285 tors. eta vs tors. theta energy: -16.009 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: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -465.159370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.159370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.159370 (E_RNA) where: Base-Base interactions energy: -239.286 where: short stacking energy: -128.734 Base-Backbone interact. energy: -1.150 local terms energy: -224.723676 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -66.250 flat angles C4'-P-C4' energy: -56.912 flat angles P-C4'-P energy: -29.408 tors. eta vs tors. theta energy: -17.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -344.860520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.860520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.860520 (E_RNA) where: Base-Base interactions energy: -143.218 where: short stacking energy: -100.964 Base-Backbone interact. energy: -1.355 local terms energy: -200.287345 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -62.711 flat angles C4'-P-C4' energy: -49.830 flat angles P-C4'-P energy: -23.774 tors. eta vs tors. theta energy: 4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1220.579800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.579800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.579800 (E_RNA) where: Base-Base interactions energy: -817.263 where: short stacking energy: -348.755 Base-Backbone interact. energy: -2.994 local terms energy: -400.323155 where: bonds (distance) C4'-P energy: -76.241 bonds (distance) P-C4' energy: -73.385 flat angles C4'-P-C4' energy: -83.375 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -107.234 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: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1194.113575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.113575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.113575 (E_RNA) where: Base-Base interactions energy: -838.195 where: short stacking energy: -333.204 Base-Backbone interact. energy: -1.705 local terms energy: -354.213061 where: bonds (distance) C4'-P energy: -75.680 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -74.691 flat angles P-C4'-P energy: -44.374 tors. eta vs tors. theta energy: -97.957 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: 181 Temperature: 1.000000 Total energy: -1146.365035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.365035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.365035 (E_RNA) where: Base-Base interactions energy: -798.731 where: short stacking energy: -330.318 Base-Backbone interact. energy: 1.029 local terms energy: -348.663522 where: bonds (distance) C4'-P energy: -66.920 bonds (distance) P-C4' energy: -69.449 flat angles C4'-P-C4' energy: -63.085 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -95.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1105.769815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.769815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.769815 (E_RNA) where: Base-Base interactions energy: -758.149 where: short stacking energy: -320.426 Base-Backbone interact. energy: -0.947 local terms energy: -346.674044 where: bonds (distance) C4'-P energy: -66.734 bonds (distance) P-C4' energy: -59.472 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: -89.680 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: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -980.500639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.500639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.500639 (E_RNA) where: Base-Base interactions energy: -653.734 where: short stacking energy: -278.695 Base-Backbone interact. energy: -0.834 local terms energy: -325.932094 where: bonds (distance) C4'-P energy: -63.372 bonds (distance) P-C4' energy: -74.289 flat angles C4'-P-C4' energy: -64.864 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -75.691 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: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -840.894830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.894830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.894830 (E_RNA) where: Base-Base interactions energy: -513.985 where: short stacking energy: -222.619 Base-Backbone interact. energy: -1.112 local terms energy: -325.797836 where: bonds (distance) C4'-P energy: -73.303 bonds (distance) P-C4' energy: -66.055 flat angles C4'-P-C4' energy: -78.535 flat angles P-C4'-P energy: -46.901 tors. eta vs tors. theta energy: -61.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -829.685425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.685425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.685425 (E_RNA) where: Base-Base interactions energy: -540.348 where: short stacking energy: -227.682 Base-Backbone interact. energy: -1.538 local terms energy: -287.799400 where: bonds (distance) C4'-P energy: -64.196 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -67.606 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -54.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -547.785436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.785436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.785436 (E_RNA) where: Base-Base interactions energy: -303.066 where: short stacking energy: -162.081 Base-Backbone interact. energy: -0.737 local terms energy: -243.982304 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -57.047 flat angles P-C4'-P energy: -32.911 tors. eta vs tors. theta energy: -21.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -457.820514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.820514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.820514 (E_RNA) where: Base-Base interactions energy: -250.587 where: short stacking energy: -136.549 Base-Backbone interact. energy: -1.332 local terms energy: -205.900794 where: bonds (distance) C4'-P energy: -61.881 bonds (distance) P-C4' energy: -54.788 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -26.724 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -298.406382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.406382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.406382 (E_RNA) where: Base-Base interactions energy: -101.874 where: short stacking energy: -91.943 Base-Backbone interact. energy: 1.366 local terms energy: -197.898044 where: bonds (distance) C4'-P energy: -58.857 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -51.994 flat angles P-C4'-P energy: -24.819 tors. eta vs tors. theta energy: -4.401 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: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1248.399912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.399912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.399912 (E_RNA) where: Base-Base interactions energy: -884.190 where: short stacking energy: -350.010 Base-Backbone interact. energy: -1.141 local terms energy: -363.068187 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -70.536 flat angles C4'-P-C4' energy: -75.037 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -98.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1186.031886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.031886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.031886 (E_RNA) where: Base-Base interactions energy: -809.679 where: short stacking energy: -347.151 Base-Backbone interact. energy: 2.598 local terms energy: -378.951442 where: bonds (distance) C4'-P energy: -79.728 bonds (distance) P-C4' energy: -68.346 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -49.656 tors. eta vs tors. theta energy: -105.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1112.625195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.625195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.625195 (E_RNA) where: Base-Base interactions energy: -753.439 where: short stacking energy: -336.998 Base-Backbone interact. energy: -0.265 local terms energy: -358.921593 where: bonds (distance) C4'-P energy: -76.075 bonds (distance) P-C4' energy: -66.575 flat angles C4'-P-C4' energy: -73.236 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1124.270960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.270960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.270960 (E_RNA) where: Base-Base interactions energy: -790.316 where: short stacking energy: -321.154 Base-Backbone interact. energy: -2.095 local terms energy: -331.860242 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -51.915 flat angles C4'-P-C4' energy: -80.748 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -87.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -985.001506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.001506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.001506 (E_RNA) where: Base-Base interactions energy: -654.265 where: short stacking energy: -293.033 Base-Backbone interact. energy: -0.766 local terms energy: -329.970437 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: -84.384 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: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -823.860296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.860296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.860296 (E_RNA) where: Base-Base interactions energy: -538.544 where: short stacking energy: -236.436 Base-Backbone interact. energy: -1.991 local terms energy: -283.325192 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -60.340 flat angles C4'-P-C4' energy: -65.895 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -42.377 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: 182 Temperature: 1.200000 Total energy: -800.119221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.119221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.119221 (E_RNA) where: Base-Base interactions energy: -525.791 where: short stacking energy: -234.643 Base-Backbone interact. energy: 0.142 local terms energy: -274.470847 where: bonds (distance) C4'-P energy: -63.865 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -55.327 flat angles P-C4'-P energy: -37.874 tors. eta vs tors. theta energy: -53.390 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: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -513.740464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.740464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.740464 (E_RNA) where: Base-Base interactions energy: -288.257 where: short stacking energy: -154.764 Base-Backbone interact. energy: -1.286 local terms energy: -224.197498 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -62.445 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -31.882 tors. eta vs tors. theta energy: -11.633 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: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -481.689825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.689825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.689825 (E_RNA) where: Base-Base interactions energy: -237.556 where: short stacking energy: -123.815 Base-Backbone interact. energy: 5.313 local terms energy: -249.447098 where: bonds (distance) C4'-P energy: -63.105 bonds (distance) P-C4' energy: -60.392 flat angles C4'-P-C4' energy: -61.668 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -297.033657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.033657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.033657 (E_RNA) where: Base-Base interactions energy: -107.870 where: short stacking energy: -73.635 Base-Backbone interact. energy: 0.651 local terms energy: -189.814893 where: bonds (distance) C4'-P energy: -67.033 bonds (distance) P-C4' energy: -58.474 flat angles C4'-P-C4' energy: -54.309 flat angles P-C4'-P energy: -33.465 tors. eta vs tors. theta energy: 23.466 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: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1253.187122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.187122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.187122 (E_RNA) where: Base-Base interactions energy: -879.830 where: short stacking energy: -346.982 Base-Backbone interact. energy: 1.411 local terms energy: -374.768296 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -81.556 flat angles C4'-P-C4' energy: -83.028 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -101.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1190.373136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.373136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.373136 (E_RNA) where: Base-Base interactions energy: -825.026 where: short stacking energy: -359.428 Base-Backbone interact. energy: -0.649 local terms energy: -364.698795 where: bonds (distance) C4'-P energy: -53.728 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -59.469 tors. eta vs tors. theta energy: -104.596 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: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1120.039635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.039635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.039635 (E_RNA) where: Base-Base interactions energy: -749.545 where: short stacking energy: -315.108 Base-Backbone interact. energy: 1.067 local terms energy: -371.561240 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -83.631 flat angles P-C4'-P energy: -55.045 tors. eta vs tors. theta energy: -97.212 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1088.606562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.606562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.606562 (E_RNA) where: Base-Base interactions energy: -753.160 where: short stacking energy: -319.040 Base-Backbone interact. energy: -0.516 local terms energy: -334.930480 where: bonds (distance) C4'-P energy: -62.465 bonds (distance) P-C4' energy: -56.874 flat angles C4'-P-C4' energy: -73.598 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -98.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -991.585439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.585439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.585439 (E_RNA) where: Base-Base interactions energy: -663.978 where: short stacking energy: -277.380 Base-Backbone interact. energy: -1.987 local terms energy: -325.620497 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -76.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -867.665437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.665437 (E_RNA) where: Base-Base interactions energy: -571.391 where: short stacking energy: -261.720 Base-Backbone interact. energy: -0.526 local terms energy: -295.748062 where: bonds (distance) C4'-P energy: -51.332 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -57.798 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -62.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -798.658939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.658939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.658939 (E_RNA) where: Base-Base interactions energy: -530.215 where: short stacking energy: -227.313 Base-Backbone interact. energy: 0.452 local terms energy: -268.895694 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -50.011 flat angles C4'-P-C4' energy: -58.892 flat angles P-C4'-P energy: -28.836 tors. eta vs tors. theta energy: -63.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -551.936435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.936435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.936435 (E_RNA) where: Base-Base interactions energy: -315.388 where: short stacking energy: -176.335 Base-Backbone interact. energy: 1.457 local terms energy: -238.005292 where: bonds (distance) C4'-P energy: -50.046 bonds (distance) P-C4' energy: -53.306 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -50.670 tors. eta vs tors. theta energy: -26.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -444.440840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.440840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.440840 (E_RNA) where: Base-Base interactions energy: -224.357 where: short stacking energy: -125.315 Base-Backbone interact. energy: -0.410 local terms energy: -219.673995 where: bonds (distance) C4'-P energy: -61.083 bonds (distance) P-C4' energy: -74.973 flat angles C4'-P-C4' energy: -52.200 flat angles P-C4'-P energy: -31.432 tors. eta vs tors. theta energy: 0.014 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: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -291.284243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.284243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.284243 (E_RNA) where: Base-Base interactions energy: -111.058 where: short stacking energy: -76.633 Base-Backbone interact. energy: 0.098 local terms energy: -180.324952 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -49.290 flat angles P-C4'-P energy: -27.461 tors. eta vs tors. theta energy: 18.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1283.899942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.899942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.899942 (E_RNA) where: Base-Base interactions energy: -901.735 where: short stacking energy: -359.151 Base-Backbone interact. energy: -2.048 local terms energy: -380.116912 where: bonds (distance) C4'-P energy: -72.881 bonds (distance) P-C4' energy: -73.537 flat angles C4'-P-C4' energy: -89.339 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -105.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1182.726388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.726388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.726388 (E_RNA) where: Base-Base interactions energy: -807.825 where: short stacking energy: -345.391 Base-Backbone interact. energy: -1.093 local terms energy: -373.808488 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -68.571 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -106.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1153.293696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.293696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.293696 (E_RNA) where: Base-Base interactions energy: -785.343 where: short stacking energy: -318.934 Base-Backbone interact. energy: -2.786 local terms energy: -365.164656 where: bonds (distance) C4'-P energy: -62.397 bonds (distance) P-C4' energy: -75.411 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -45.677 tors. eta vs tors. theta energy: -104.394 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: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1122.203007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.203007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.203007 (E_RNA) where: Base-Base interactions energy: -750.467 where: short stacking energy: -322.885 Base-Backbone interact. energy: -1.177 local terms energy: -370.558792 where: bonds (distance) C4'-P energy: -70.225 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -78.494 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -100.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -965.713626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.713626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.713626 (E_RNA) where: Base-Base interactions energy: -629.767 where: short stacking energy: -281.857 Base-Backbone interact. energy: -2.505 local terms energy: -333.441232 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -50.815 tors. eta vs tors. theta energy: -69.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -859.954475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.954475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.954475 (E_RNA) where: Base-Base interactions energy: -561.661 where: short stacking energy: -229.119 Base-Backbone interact. energy: -2.499 local terms energy: -295.795142 where: bonds (distance) C4'-P energy: -64.801 bonds (distance) P-C4' energy: -71.886 flat angles C4'-P-C4' energy: -78.062 flat angles P-C4'-P energy: -20.019 tors. eta vs tors. theta energy: -61.027 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: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -808.723895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.723895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.723895 (E_RNA) where: Base-Base interactions energy: -549.922 where: short stacking energy: -222.100 Base-Backbone interact. energy: 0.564 local terms energy: -259.365980 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -37.558 tors. eta vs tors. theta energy: -50.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -546.522772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.522772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.522772 (E_RNA) where: Base-Base interactions energy: -319.100 where: short stacking energy: -149.905 Base-Backbone interact. energy: 0.519 local terms energy: -227.941280 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -32.516 tors. eta vs tors. theta energy: -26.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -434.597701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.597701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.597701 (E_RNA) where: Base-Base interactions energy: -233.064 where: short stacking energy: -113.769 Base-Backbone interact. energy: -0.819 local terms energy: -200.714631 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -64.849 flat angles C4'-P-C4' energy: -49.547 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: 8.137 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: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -299.734646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.734646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.734646 (E_RNA) where: Base-Base interactions energy: -128.794 where: short stacking energy: -97.626 Base-Backbone interact. energy: -1.778 local terms energy: -169.162640 where: bonds (distance) C4'-P energy: -54.717 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -44.500 flat angles P-C4'-P energy: -17.878 tors. eta vs tors. theta energy: 4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1271.178832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.178832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.178832 (E_RNA) where: Base-Base interactions energy: -877.641 where: short stacking energy: -361.642 Base-Backbone interact. energy: 0.220 local terms energy: -393.756991 where: bonds (distance) C4'-P energy: -81.557 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -84.567 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -104.561 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1178.022005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.022005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.022005 (E_RNA) where: Base-Base interactions energy: -822.360 where: short stacking energy: -331.349 Base-Backbone interact. energy: -3.502 local terms energy: -352.160367 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -64.980 flat angles C4'-P-C4' energy: -77.055 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -92.293 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: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1154.033107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.033107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.033107 (E_RNA) where: Base-Base interactions energy: -774.150 where: short stacking energy: -360.108 Base-Backbone interact. energy: -0.833 local terms energy: -379.050501 where: bonds (distance) C4'-P energy: -68.539 bonds (distance) P-C4' energy: -78.493 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -46.153 tors. eta vs tors. theta energy: -108.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1085.012591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.012591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.012591 (E_RNA) where: Base-Base interactions energy: -734.133 where: short stacking energy: -315.013 Base-Backbone interact. energy: 3.877 local terms energy: -354.757116 where: bonds (distance) C4'-P energy: -70.409 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -72.206 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: -87.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -957.622152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.622152 (E_RNA) where: Base-Base interactions energy: -633.894 where: short stacking energy: -275.704 Base-Backbone interact. energy: -0.252 local terms energy: -323.476192 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -73.946 flat angles C4'-P-C4' energy: -66.347 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -80.705 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: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -900.777017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.777017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.777017 (E_RNA) where: Base-Base interactions energy: -594.051 where: short stacking energy: -272.231 Base-Backbone interact. energy: 0.157 local terms energy: -306.883085 where: bonds (distance) C4'-P energy: -59.122 bonds (distance) P-C4' energy: -60.680 flat angles C4'-P-C4' energy: -66.011 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -72.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -809.538637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.538637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.538637 (E_RNA) where: Base-Base interactions energy: -523.532 where: short stacking energy: -228.749 Base-Backbone interact. energy: 0.065 local terms energy: -286.072137 where: bonds (distance) C4'-P energy: -59.876 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -64.047 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: -61.884 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: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -569.802615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.802615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.802615 (E_RNA) where: Base-Base interactions energy: -317.450 where: short stacking energy: -149.741 Base-Backbone interact. energy: 1.160 local terms energy: -253.512906 where: bonds (distance) C4'-P energy: -68.223 bonds (distance) P-C4' energy: -77.326 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -25.417 tors. eta vs tors. theta energy: -20.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -445.522302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.522302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.522302 (E_RNA) where: Base-Base interactions energy: -258.326 where: short stacking energy: -132.982 Base-Backbone interact. energy: 9.226 local terms energy: -196.422511 where: bonds (distance) C4'-P energy: -61.007 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -31.450 flat angles P-C4'-P energy: -38.565 tors. eta vs tors. theta energy: -6.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -303.487486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.487486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.487486 (E_RNA) where: Base-Base interactions energy: -98.673 where: short stacking energy: -61.459 Base-Backbone interact. energy: -0.644 local terms energy: -204.170509 where: bonds (distance) C4'-P energy: -69.174 bonds (distance) P-C4' energy: -75.325 flat angles C4'-P-C4' energy: -38.047 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: 19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1266.076471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.076471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.076471 (E_RNA) where: Base-Base interactions energy: -881.247 where: short stacking energy: -359.803 Base-Backbone interact. energy: -1.098 local terms energy: -383.731197 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -85.343 flat angles P-C4'-P energy: -56.203 tors. eta vs tors. theta energy: -98.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1181.980823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.980823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.980823 (E_RNA) where: Base-Base interactions energy: -802.744 where: short stacking energy: -336.552 Base-Backbone interact. energy: -3.881 local terms energy: -375.355393 where: bonds (distance) C4'-P energy: -76.314 bonds (distance) P-C4' energy: -69.231 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -99.895 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: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1158.643535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.643535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.643535 (E_RNA) where: Base-Base interactions energy: -772.740 where: short stacking energy: -330.398 Base-Backbone interact. energy: -0.392 local terms energy: -385.512081 where: bonds (distance) C4'-P energy: -81.660 bonds (distance) P-C4' energy: -71.041 flat angles C4'-P-C4' energy: -72.752 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: -101.026 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: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1130.326198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.326198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.326198 (E_RNA) where: Base-Base interactions energy: -795.924 where: short stacking energy: -344.566 Base-Backbone interact. energy: -1.526 local terms energy: -332.876170 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -64.947 flat angles C4'-P-C4' energy: -69.929 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: -98.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -956.181825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.181825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.181825 (E_RNA) where: Base-Base interactions energy: -646.327 where: short stacking energy: -292.437 Base-Backbone interact. energy: 0.511 local terms energy: -310.365375 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -57.004 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: -82.066 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: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -938.038444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.038444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.038444 (E_RNA) where: Base-Base interactions energy: -626.707 where: short stacking energy: -286.897 Base-Backbone interact. energy: -2.586 local terms energy: -308.745339 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -79.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -768.471161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.471161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.471161 (E_RNA) where: Base-Base interactions energy: -502.782 where: short stacking energy: -212.325 Base-Backbone interact. energy: -1.189 local terms energy: -264.499627 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -56.574 flat angles C4'-P-C4' energy: -58.994 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -44.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -500.305241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.305241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.305241 (E_RNA) where: Base-Base interactions energy: -282.501 where: short stacking energy: -130.746 Base-Backbone interact. energy: 0.757 local terms energy: -218.561577 where: bonds (distance) C4'-P energy: -61.258 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -55.233 flat angles P-C4'-P energy: -35.633 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -501.338953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.338953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.338953 (E_RNA) where: Base-Base interactions energy: -273.788 where: short stacking energy: -124.164 Base-Backbone interact. energy: 5.227 local terms energy: -232.777458 where: bonds (distance) C4'-P energy: -52.821 bonds (distance) P-C4' energy: -67.208 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -2.310 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: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -276.329178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.329178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.329178 (E_RNA) where: Base-Base interactions energy: -81.201 where: short stacking energy: -69.467 Base-Backbone interact. energy: 1.677 local terms energy: -196.805142 where: bonds (distance) C4'-P energy: -49.592 bonds (distance) P-C4' energy: -68.490 flat angles C4'-P-C4' energy: -50.057 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: 7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1255.296815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.296815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.296815 (E_RNA) where: Base-Base interactions energy: -880.443 where: short stacking energy: -352.751 Base-Backbone interact. energy: 0.817 local terms energy: -375.671168 where: bonds (distance) C4'-P energy: -75.254 bonds (distance) P-C4' energy: -64.952 flat angles C4'-P-C4' energy: -70.971 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -107.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1143.789229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.789229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.789229 (E_RNA) where: Base-Base interactions energy: -782.921 where: short stacking energy: -326.436 Base-Backbone interact. energy: -3.759 local terms energy: -357.109545 where: bonds (distance) C4'-P energy: -73.195 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -98.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1153.918749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.918749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.918749 (E_RNA) where: Base-Base interactions energy: -789.532 where: short stacking energy: -326.919 Base-Backbone interact. energy: -0.288 local terms energy: -364.098817 where: bonds (distance) C4'-P energy: -71.857 bonds (distance) P-C4' energy: -67.081 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: -93.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1109.571178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.571178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.571178 (E_RNA) where: Base-Base interactions energy: -739.771 where: short stacking energy: -324.276 Base-Backbone interact. energy: -1.961 local terms energy: -367.839433 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -77.353 flat angles C4'-P-C4' energy: -80.656 flat angles P-C4'-P energy: -46.844 tors. eta vs tors. theta energy: -98.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -944.316613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.316613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.316613 (E_RNA) where: Base-Base interactions energy: -613.805 where: short stacking energy: -280.970 Base-Backbone interact. energy: -1.842 local terms energy: -328.669736 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -77.280 flat angles C4'-P-C4' energy: -63.533 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -82.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -933.834347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.834347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.834347 (E_RNA) where: Base-Base interactions energy: -601.721 where: short stacking energy: -278.269 Base-Backbone interact. energy: -3.417 local terms energy: -328.695895 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -62.223 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -78.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -748.807812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.807812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.807812 (E_RNA) where: Base-Base interactions energy: -491.603 where: short stacking energy: -195.767 Base-Backbone interact. energy: -2.224 local terms energy: -254.981018 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -57.322 flat angles C4'-P-C4' energy: -53.243 flat angles P-C4'-P energy: -36.393 tors. eta vs tors. theta energy: -40.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -549.541956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.541956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.541956 (E_RNA) where: Base-Base interactions energy: -311.474 where: short stacking energy: -162.825 Base-Backbone interact. energy: 0.188 local terms energy: -238.255735 where: bonds (distance) C4'-P energy: -48.749 bonds (distance) P-C4' energy: -56.414 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -26.206 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: 187 Temperature: 1.300000 Total energy: -369.564902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.564902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.564902 (E_RNA) where: Base-Base interactions energy: -147.273 where: short stacking energy: -94.660 Base-Backbone interact. energy: -0.720 local terms energy: -221.571434 where: bonds (distance) C4'-P energy: -64.075 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -64.900 flat angles P-C4'-P energy: -30.524 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -313.176771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.176771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.176771 (E_RNA) where: Base-Base interactions energy: -116.229 where: short stacking energy: -82.455 Base-Backbone interact. energy: 0.854 local terms energy: -197.801444 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -65.950 flat angles C4'-P-C4' energy: -51.906 flat angles P-C4'-P energy: -28.673 tors. eta vs tors. theta energy: 8.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1267.806390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.806390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.806390 (E_RNA) where: Base-Base interactions energy: -900.495 where: short stacking energy: -356.209 Base-Backbone interact. energy: 7.200 local terms energy: -374.511125 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -90.030 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -103.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1153.446791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.446791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.446791 (E_RNA) where: Base-Base interactions energy: -791.358 where: short stacking energy: -349.261 Base-Backbone interact. energy: -1.255 local terms energy: -360.833804 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -79.756 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -101.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1136.934606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.934606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.934606 (E_RNA) where: Base-Base interactions energy: -766.427 where: short stacking energy: -321.312 Base-Backbone interact. energy: 0.153 local terms energy: -370.660912 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -75.441 flat angles P-C4'-P energy: -47.450 tors. eta vs tors. theta energy: -104.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1111.030586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.030586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.030586 (E_RNA) where: Base-Base interactions energy: -766.383 where: short stacking energy: -318.567 Base-Backbone interact. energy: -1.594 local terms energy: -343.053211 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -75.701 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -98.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -965.432731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.432731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.432731 (E_RNA) where: Base-Base interactions energy: -624.632 where: short stacking energy: -268.892 Base-Backbone interact. energy: -2.150 local terms energy: -338.649965 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -74.927 flat angles C4'-P-C4' energy: -80.098 flat angles P-C4'-P energy: -52.590 tors. eta vs tors. theta energy: -75.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -889.889906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.889906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.889906 (E_RNA) where: Base-Base interactions energy: -570.117 where: short stacking energy: -249.012 Base-Backbone interact. energy: -2.326 local terms energy: -317.446379 where: bonds (distance) C4'-P energy: -71.825 bonds (distance) P-C4' energy: -77.748 flat angles C4'-P-C4' energy: -64.848 flat angles P-C4'-P energy: -37.719 tors. eta vs tors. theta energy: -65.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -776.224591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.224591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.224591 (E_RNA) where: Base-Base interactions energy: -504.200 where: short stacking energy: -209.903 Base-Backbone interact. energy: 1.793 local terms energy: -273.817531 where: bonds (distance) C4'-P energy: -70.605 bonds (distance) P-C4' energy: -70.898 flat angles C4'-P-C4' energy: -47.878 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: -42.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -488.560413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.560413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.560413 (E_RNA) where: Base-Base interactions energy: -261.869 where: short stacking energy: -127.896 Base-Backbone interact. energy: -1.351 local terms energy: -225.339561 where: bonds (distance) C4'-P energy: -62.313 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -36.302 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -20.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -354.305008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.305008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.305008 (E_RNA) where: Base-Base interactions energy: -156.210 where: short stacking energy: -110.105 Base-Backbone interact. energy: -0.894 local terms energy: -197.201010 where: bonds (distance) C4'-P energy: -58.094 bonds (distance) P-C4' energy: -59.767 flat angles C4'-P-C4' energy: -51.055 flat angles P-C4'-P energy: -24.392 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -287.565223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.565223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.565223 (E_RNA) where: Base-Base interactions energy: -119.799 where: short stacking energy: -65.249 Base-Backbone interact. energy: -1.118 local terms energy: -166.647690 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -62.139 flat angles C4'-P-C4' energy: -43.906 flat angles P-C4'-P energy: -31.752 tors. eta vs tors. theta energy: 25.935 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: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1257.861186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.861186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.861186 (E_RNA) where: Base-Base interactions energy: -884.642 where: short stacking energy: -352.503 Base-Backbone interact. energy: -0.186 local terms energy: -373.032608 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -82.147 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: -103.923 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: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1189.733327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.733327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.733327 (E_RNA) where: Base-Base interactions energy: -805.934 where: short stacking energy: -362.470 Base-Backbone interact. energy: -1.909 local terms energy: -381.890431 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -85.087 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -105.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1154.803599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.803599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.803599 (E_RNA) where: Base-Base interactions energy: -789.820 where: short stacking energy: -310.343 Base-Backbone interact. energy: -3.184 local terms energy: -361.799952 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -77.001 flat angles P-C4'-P energy: -57.432 tors. eta vs tors. theta energy: -97.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1113.092945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.092945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.092945 (E_RNA) where: Base-Base interactions energy: -772.511 where: short stacking energy: -326.119 Base-Backbone interact. energy: -1.235 local terms energy: -339.347460 where: bonds (distance) C4'-P energy: -64.052 bonds (distance) P-C4' energy: -69.566 flat angles C4'-P-C4' energy: -74.434 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -94.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -967.716293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.716293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.716293 (E_RNA) where: Base-Base interactions energy: -640.063 where: short stacking energy: -268.435 Base-Backbone interact. energy: -1.448 local terms energy: -326.205468 where: bonds (distance) C4'-P energy: -59.246 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -75.388 flat angles P-C4'-P energy: -56.693 tors. eta vs tors. theta energy: -71.765 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: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -902.880429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.880429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.880429 (E_RNA) where: Base-Base interactions energy: -602.597 where: short stacking energy: -261.275 Base-Backbone interact. energy: -0.301 local terms energy: -299.982671 where: bonds (distance) C4'-P energy: -56.479 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -77.268 flat angles P-C4'-P energy: -35.563 tors. eta vs tors. theta energy: -59.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -770.537473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.537473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.537473 (E_RNA) where: Base-Base interactions energy: -489.626 where: short stacking energy: -208.181 Base-Backbone interact. energy: -0.510 local terms energy: -280.400680 where: bonds (distance) C4'-P energy: -62.292 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -56.914 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: -59.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -489.985446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.985446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.985446 (E_RNA) where: Base-Base interactions energy: -263.338 where: short stacking energy: -132.662 Base-Backbone interact. energy: 2.629 local terms energy: -229.276732 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -71.375 flat angles C4'-P-C4' energy: -51.586 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -6.825 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: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -359.851368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.851368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.851368 (E_RNA) where: Base-Base interactions energy: -170.348 where: short stacking energy: -85.737 Base-Backbone interact. energy: -0.063 local terms energy: -189.440002 where: bonds (distance) C4'-P energy: -54.536 bonds (distance) P-C4' energy: -61.219 flat angles C4'-P-C4' energy: -45.453 flat angles P-C4'-P energy: -28.076 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -306.834791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.834791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.834791 (E_RNA) where: Base-Base interactions energy: -115.222 where: short stacking energy: -80.637 Base-Backbone interact. energy: -0.644 local terms energy: -190.969316 where: bonds (distance) C4'-P energy: -52.496 bonds (distance) P-C4' energy: -65.557 flat angles C4'-P-C4' energy: -53.932 flat angles P-C4'-P energy: -24.467 tors. eta vs tors. theta energy: 5.483 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: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1249.642212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.642212 (E_RNA) where: Base-Base interactions energy: -880.364 where: short stacking energy: -346.162 Base-Backbone interact. energy: 0.976 local terms energy: -370.253594 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -47.739 tors. eta vs tors. theta energy: -96.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1170.794516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.794516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.794516 (E_RNA) where: Base-Base interactions energy: -792.258 where: short stacking energy: -329.426 Base-Backbone interact. energy: -2.197 local terms energy: -376.339188 where: bonds (distance) C4'-P energy: -63.749 bonds (distance) P-C4' energy: -71.714 flat angles C4'-P-C4' energy: -89.546 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -98.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1160.825360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.825360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.825360 (E_RNA) where: Base-Base interactions energy: -799.716 where: short stacking energy: -325.360 Base-Backbone interact. energy: 1.309 local terms energy: -362.418823 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -82.306 flat angles P-C4'-P energy: -52.497 tors. eta vs tors. theta energy: -89.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1114.202722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.202722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.202722 (E_RNA) where: Base-Base interactions energy: -757.348 where: short stacking energy: -323.924 Base-Backbone interact. energy: 3.192 local terms energy: -360.047392 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -81.673 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -93.863 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: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -981.242340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.242340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.242340 (E_RNA) where: Base-Base interactions energy: -646.270 where: short stacking energy: -276.584 Base-Backbone interact. energy: -1.181 local terms energy: -333.790777 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -67.646 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -54.936 tors. eta vs tors. theta energy: -70.797 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: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -921.353326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.353326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.353326 (E_RNA) where: Base-Base interactions energy: -599.895 where: short stacking energy: -257.381 Base-Backbone interact. energy: -0.926 local terms energy: -320.532192 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -70.502 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: -72.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -772.493364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.493364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.493364 (E_RNA) where: Base-Base interactions energy: -506.347 where: short stacking energy: -211.451 Base-Backbone interact. energy: 0.004 local terms energy: -266.150558 where: bonds (distance) C4'-P energy: -59.305 bonds (distance) P-C4' energy: -49.254 flat angles C4'-P-C4' energy: -70.714 flat angles P-C4'-P energy: -45.723 tors. eta vs tors. theta energy: -41.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -499.006049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.006049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.006049 (E_RNA) where: Base-Base interactions energy: -268.483 where: short stacking energy: -147.036 Base-Backbone interact. energy: -0.908 local terms energy: -229.615085 where: bonds (distance) C4'-P energy: -60.595 bonds (distance) P-C4' energy: -66.118 flat angles C4'-P-C4' energy: -48.463 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -13.579 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: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -319.259755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.259755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.259755 (E_RNA) where: Base-Base interactions energy: -109.532 where: short stacking energy: -93.373 Base-Backbone interact. energy: -0.096 local terms energy: -209.632174 where: bonds (distance) C4'-P energy: -59.131 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -52.496 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: 2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -334.901441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.901441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.901441 (E_RNA) where: Base-Base interactions energy: -150.786 where: short stacking energy: -107.357 Base-Backbone interact. energy: -1.161 local terms energy: -182.954279 where: bonds (distance) C4'-P energy: -42.837 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -24.313 tors. eta vs tors. theta energy: -2.242 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: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1220.010695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.010695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.010695 (E_RNA) where: Base-Base interactions energy: -853.758 where: short stacking energy: -318.563 Base-Backbone interact. energy: -1.216 local terms energy: -365.036742 where: bonds (distance) C4'-P energy: -75.736 bonds (distance) P-C4' energy: -75.057 flat angles C4'-P-C4' energy: -72.528 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -92.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1164.328378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.328378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.328378 (E_RNA) where: Base-Base interactions energy: -779.219 where: short stacking energy: -347.239 Base-Backbone interact. energy: -1.577 local terms energy: -383.532758 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -82.553 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -96.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1141.684499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.684499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.684499 (E_RNA) where: Base-Base interactions energy: -785.857 where: short stacking energy: -321.620 Base-Backbone interact. energy: -1.723 local terms energy: -354.104370 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: -91.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1108.752813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.752813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.752813 (E_RNA) where: Base-Base interactions energy: -750.504 where: short stacking energy: -324.513 Base-Backbone interact. energy: 0.387 local terms energy: -358.634865 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -70.453 flat angles P-C4'-P energy: -43.941 tors. eta vs tors. theta energy: -103.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -981.953660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.953660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.953660 (E_RNA) where: Base-Base interactions energy: -646.755 where: short stacking energy: -285.252 Base-Backbone interact. energy: 0.010 local terms energy: -335.208590 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -50.302 tors. eta vs tors. theta energy: -81.981 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: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -928.273272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.273272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.273272 (E_RNA) where: Base-Base interactions energy: -606.453 where: short stacking energy: -271.294 Base-Backbone interact. energy: -2.924 local terms energy: -318.896027 where: bonds (distance) C4'-P energy: -67.293 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: -73.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -812.797607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.797607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.797607 (E_RNA) where: Base-Base interactions energy: -531.607 where: short stacking energy: -222.699 Base-Backbone interact. energy: 2.320 local terms energy: -283.510148 where: bonds (distance) C4'-P energy: -63.348 bonds (distance) P-C4' energy: -74.885 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -29.436 tors. eta vs tors. theta energy: -52.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -570.088837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.088837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.088837 (E_RNA) where: Base-Base interactions energy: -319.235 where: short stacking energy: -155.815 Base-Backbone interact. energy: 0.609 local terms energy: -251.462665 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -58.108 flat angles P-C4'-P energy: -24.393 tors. eta vs tors. theta energy: -22.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -306.583068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.583068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.583068 (E_RNA) where: Base-Base interactions energy: -116.973 where: short stacking energy: -87.438 Base-Backbone interact. energy: -0.344 local terms energy: -189.265959 where: bonds (distance) C4'-P energy: -47.102 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -44.651 flat angles P-C4'-P energy: -26.340 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -397.759172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.759172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.759172 (E_RNA) where: Base-Base interactions energy: -195.163 where: short stacking energy: -115.018 Base-Backbone interact. energy: -1.351 local terms energy: -201.245875 where: bonds (distance) C4'-P energy: -46.983 bonds (distance) P-C4' energy: -62.904 flat angles C4'-P-C4' energy: -47.450 flat angles P-C4'-P energy: -34.202 tors. eta vs tors. theta energy: -9.707 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: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1194.251146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.251146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.251146 (E_RNA) where: Base-Base interactions energy: -794.750 where: short stacking energy: -362.636 Base-Backbone interact. energy: -1.088 local terms energy: -398.413320 where: bonds (distance) C4'-P energy: -74.941 bonds (distance) P-C4' energy: -77.801 flat angles C4'-P-C4' energy: -80.632 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -106.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1196.590077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.590077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.590077 (E_RNA) where: Base-Base interactions energy: -852.540 where: short stacking energy: -327.671 Base-Backbone interact. energy: 0.615 local terms energy: -344.664122 where: bonds (distance) C4'-P energy: -63.521 bonds (distance) P-C4' energy: -74.044 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -44.510 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: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1174.229553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.229553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.229553 (E_RNA) where: Base-Base interactions energy: -822.425 where: short stacking energy: -333.217 Base-Backbone interact. energy: -2.257 local terms energy: -349.547488 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -69.853 flat angles P-C4'-P energy: -38.532 tors. eta vs tors. theta energy: -103.619 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: 192 Temperature: 1.050000 Total energy: -1131.205653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.205653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.205653 (E_RNA) where: Base-Base interactions energy: -786.022 where: short stacking energy: -327.359 Base-Backbone interact. energy: -2.045 local terms energy: -343.139164 where: bonds (distance) C4'-P energy: -59.807 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -72.559 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -95.697 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: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -950.467399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.467399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.467399 (E_RNA) where: Base-Base interactions energy: -631.374 where: short stacking energy: -272.688 Base-Backbone interact. energy: -2.743 local terms energy: -316.351018 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -57.148 flat angles C4'-P-C4' energy: -79.476 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -69.149 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: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -890.880407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.880407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.880407 (E_RNA) where: Base-Base interactions energy: -603.664 where: short stacking energy: -244.726 Base-Backbone interact. energy: -1.265 local terms energy: -285.951019 where: bonds (distance) C4'-P energy: -56.879 bonds (distance) P-C4' energy: -56.111 flat angles C4'-P-C4' energy: -56.785 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -72.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -794.690549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.690549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.690549 (E_RNA) where: Base-Base interactions energy: -509.166 where: short stacking energy: -218.589 Base-Backbone interact. energy: -0.662 local terms energy: -284.862551 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -67.701 flat angles C4'-P-C4' energy: -55.398 flat angles P-C4'-P energy: -52.069 tors. eta vs tors. theta energy: -50.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -543.587836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.587836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.587836 (E_RNA) where: Base-Base interactions energy: -305.727 where: short stacking energy: -145.478 Base-Backbone interact. energy: -2.464 local terms energy: -235.397220 where: bonds (distance) C4'-P energy: -55.159 bonds (distance) P-C4' energy: -73.990 flat angles C4'-P-C4' energy: -46.637 flat angles P-C4'-P energy: -43.321 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -443.451332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.451332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.451332 (E_RNA) where: Base-Base interactions energy: -234.513 where: short stacking energy: -129.142 Base-Backbone interact. energy: -0.814 local terms energy: -208.124403 where: bonds (distance) C4'-P energy: -58.730 bonds (distance) P-C4' energy: -65.578 flat angles C4'-P-C4' energy: -57.251 flat angles P-C4'-P energy: -27.081 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -288.137755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.137755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.137755 (E_RNA) where: Base-Base interactions energy: -92.495 where: short stacking energy: -82.520 Base-Backbone interact. energy: 1.708 local terms energy: -197.350488 where: bonds (distance) C4'-P energy: -55.969 bonds (distance) P-C4' energy: -70.963 flat angles C4'-P-C4' energy: -55.793 flat angles P-C4'-P energy: -25.143 tors. eta vs tors. theta energy: 10.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1216.865338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.865338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.865338 (E_RNA) where: Base-Base interactions energy: -827.896 where: short stacking energy: -348.981 Base-Backbone interact. energy: -1.609 local terms energy: -387.361136 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -75.828 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -102.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1202.920081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.920081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.920081 (E_RNA) where: Base-Base interactions energy: -855.779 where: short stacking energy: -327.431 Base-Backbone interact. energy: -1.672 local terms energy: -345.469138 where: bonds (distance) C4'-P energy: -61.510 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -45.585 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: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1136.139096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.139096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.139096 (E_RNA) where: Base-Base interactions energy: -782.469 where: short stacking energy: -326.415 Base-Backbone interact. energy: -0.286 local terms energy: -353.384806 where: bonds (distance) C4'-P energy: -55.759 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -48.596 tors. eta vs tors. theta energy: -97.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1125.144947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.144947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.144947 (E_RNA) where: Base-Base interactions energy: -779.233 where: short stacking energy: -332.003 Base-Backbone interact. energy: -1.198 local terms energy: -344.714357 where: bonds (distance) C4'-P energy: -69.544 bonds (distance) P-C4' energy: -60.536 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -99.650 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: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -950.369424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.369424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.369424 (E_RNA) where: Base-Base interactions energy: -624.727 where: short stacking energy: -275.140 Base-Backbone interact. energy: 3.020 local terms energy: -328.662080 where: bonds (distance) C4'-P energy: -66.292 bonds (distance) P-C4' energy: -53.494 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: -91.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -904.701108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.701108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.701108 (E_RNA) where: Base-Base interactions energy: -596.687 where: short stacking energy: -245.996 Base-Backbone interact. energy: -1.758 local terms energy: -306.256862 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -66.438 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: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -766.444758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.444758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.444758 (E_RNA) where: Base-Base interactions energy: -517.176 where: short stacking energy: -193.108 Base-Backbone interact. energy: 0.051 local terms energy: -249.320026 where: bonds (distance) C4'-P energy: -45.703 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -64.373 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -37.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -562.053513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.053513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.053513 (E_RNA) where: Base-Base interactions energy: -333.389 where: short stacking energy: -173.138 Base-Backbone interact. energy: 1.904 local terms energy: -230.569154 where: bonds (distance) C4'-P energy: -53.018 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -27.503 tors. eta vs tors. theta energy: -27.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -441.437729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.437729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.437729 (E_RNA) where: Base-Base interactions energy: -221.409 where: short stacking energy: -129.855 Base-Backbone interact. energy: 2.958 local terms energy: -222.987217 where: bonds (distance) C4'-P energy: -64.534 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -55.966 flat angles P-C4'-P energy: -42.222 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: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -294.344064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.344064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.344064 (E_RNA) where: Base-Base interactions energy: -96.124 where: short stacking energy: -84.819 Base-Backbone interact. energy: 0.107 local terms energy: -198.327629 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -58.501 flat angles P-C4'-P energy: -33.947 tors. eta vs tors. theta energy: 10.720 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: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1194.984024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.984024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.984024 (E_RNA) where: Base-Base interactions energy: -811.957 where: short stacking energy: -356.167 Base-Backbone interact. energy: 0.347 local terms energy: -383.374122 where: bonds (distance) C4'-P energy: -77.389 bonds (distance) P-C4' energy: -68.812 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: -99.484 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: 194 Temperature: 0.950000 Total energy: -1229.695700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.695700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.695700 (E_RNA) where: Base-Base interactions energy: -856.337 where: short stacking energy: -338.009 Base-Backbone interact. energy: 1.656 local terms energy: -375.014400 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -72.731 flat angles C4'-P-C4' energy: -83.315 flat angles P-C4'-P energy: -48.749 tors. eta vs tors. theta energy: -103.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1167.278787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.278787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.278787 (E_RNA) where: Base-Base interactions energy: -807.406 where: short stacking energy: -325.566 Base-Backbone interact. energy: -0.022 local terms energy: -359.850923 where: bonds (distance) C4'-P energy: -66.770 bonds (distance) P-C4' energy: -72.626 flat angles C4'-P-C4' energy: -77.604 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -93.689 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: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1129.054981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.054981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.054981 (E_RNA) where: Base-Base interactions energy: -780.953 where: short stacking energy: -335.967 Base-Backbone interact. energy: -0.854 local terms energy: -347.247057 where: bonds (distance) C4'-P energy: -76.761 bonds (distance) P-C4' energy: -59.517 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -34.999 tors. eta vs tors. theta energy: -101.298 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: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -985.700834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.700834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.700834 (E_RNA) where: Base-Base interactions energy: -656.310 where: short stacking energy: -300.410 Base-Backbone interact. energy: -1.861 local terms energy: -327.529474 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -64.279 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -94.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -910.082931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.082931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.082931 (E_RNA) where: Base-Base interactions energy: -595.422 where: short stacking energy: -245.583 Base-Backbone interact. energy: 1.626 local terms energy: -316.286803 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -67.089 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -70.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -712.035803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.035803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.035803 (E_RNA) where: Base-Base interactions energy: -460.214 where: short stacking energy: -180.890 Base-Backbone interact. energy: -0.912 local terms energy: -250.910212 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -64.321 flat angles C4'-P-C4' energy: -59.674 flat angles P-C4'-P energy: -30.184 tors. eta vs tors. theta energy: -37.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -574.727031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.727031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.727031 (E_RNA) where: Base-Base interactions energy: -323.348 where: short stacking energy: -135.141 Base-Backbone interact. energy: -0.922 local terms energy: -250.456839 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -27.223 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: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -462.470193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.470193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.470193 (E_RNA) where: Base-Base interactions energy: -235.699 where: short stacking energy: -137.821 Base-Backbone interact. energy: 1.049 local terms energy: -227.819766 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -61.849 flat angles C4'-P-C4' energy: -66.004 flat angles P-C4'-P energy: -19.816 tors. eta vs tors. theta energy: -19.283 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: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -294.343812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.343812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.343812 (E_RNA) where: Base-Base interactions energy: -109.174 where: short stacking energy: -84.477 Base-Backbone interact. energy: -0.028 local terms energy: -185.142236 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -57.119 flat angles C4'-P-C4' energy: -42.890 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: 10.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1218.767893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.767893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.767893 (E_RNA) where: Base-Base interactions energy: -834.825 where: short stacking energy: -346.147 Base-Backbone interact. energy: -0.754 local terms energy: -383.188386 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -73.879 flat angles C4'-P-C4' energy: -88.657 flat angles P-C4'-P energy: -49.637 tors. eta vs tors. theta energy: -97.561 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1222.029226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.029226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.029226 (E_RNA) where: Base-Base interactions energy: -840.354 where: short stacking energy: -331.441 Base-Backbone interact. energy: -2.888 local terms energy: -378.787449 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -68.241 flat angles C4'-P-C4' energy: -84.974 flat angles P-C4'-P energy: -49.176 tors. eta vs tors. theta energy: -96.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1158.658421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.658421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.658421 (E_RNA) where: Base-Base interactions energy: -798.698 where: short stacking energy: -345.236 Base-Backbone interact. energy: -1.641 local terms energy: -358.319461 where: bonds (distance) C4'-P energy: -69.755 bonds (distance) P-C4' energy: -66.619 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -45.241 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: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1062.606944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.606944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.606944 (E_RNA) where: Base-Base interactions energy: -739.548 where: short stacking energy: -309.834 Base-Backbone interact. energy: -1.842 local terms energy: -321.217793 where: bonds (distance) C4'-P energy: -64.759 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -82.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -998.128632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.128632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.128632 (E_RNA) where: Base-Base interactions energy: -680.107 where: short stacking energy: -294.546 Base-Backbone interact. energy: -0.741 local terms energy: -317.280091 where: bonds (distance) C4'-P energy: -51.624 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -74.846 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -88.140 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: 195 Temperature: 1.150000 Total energy: -904.880600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.880600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.880600 (E_RNA) where: Base-Base interactions energy: -594.030 where: short stacking energy: -258.468 Base-Backbone interact. energy: -0.321 local terms energy: -310.528865 where: bonds (distance) C4'-P energy: -51.684 bonds (distance) P-C4' energy: -69.186 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -66.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -756.908525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.908525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.908525 (E_RNA) where: Base-Base interactions energy: -473.631 where: short stacking energy: -175.687 Base-Backbone interact. energy: -2.607 local terms energy: -280.669975 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -45.320 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: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -588.394645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.394645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.394645 (E_RNA) where: Base-Base interactions energy: -376.730 where: short stacking energy: -176.733 Base-Backbone interact. energy: -1.957 local terms energy: -209.707398 where: bonds (distance) C4'-P energy: -45.643 bonds (distance) P-C4' energy: -47.824 flat angles C4'-P-C4' energy: -66.377 flat angles P-C4'-P energy: -22.083 tors. eta vs tors. theta energy: -27.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -437.118693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.118693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.118693 (E_RNA) where: Base-Base interactions energy: -216.992 where: short stacking energy: -115.922 Base-Backbone interact. energy: 4.901 local terms energy: -225.027466 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -58.263 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -45.088 tors. eta vs tors. theta energy: -8.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -295.153923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.153923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.153923 (E_RNA) where: Base-Base interactions energy: -92.284 where: short stacking energy: -67.604 Base-Backbone interact. energy: 0.799 local terms energy: -203.668761 where: bonds (distance) C4'-P energy: -57.811 bonds (distance) P-C4' energy: -64.566 flat angles C4'-P-C4' energy: -57.280 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: 18.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1197.339583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.339583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.339583 (E_RNA) where: Base-Base interactions energy: -829.539 where: short stacking energy: -342.124 Base-Backbone interact. energy: -0.788 local terms energy: -367.012428 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -70.966 flat angles C4'-P-C4' energy: -85.793 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -92.889 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: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1216.471483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.471483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.471483 (E_RNA) where: Base-Base interactions energy: -841.741 where: short stacking energy: -323.168 Base-Backbone interact. energy: -3.606 local terms energy: -371.124055 where: bonds (distance) C4'-P energy: -74.672 bonds (distance) P-C4' energy: -72.444 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1158.843664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.843664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.843664 (E_RNA) where: Base-Base interactions energy: -801.374 where: short stacking energy: -341.812 Base-Backbone interact. energy: -2.798 local terms energy: -354.670897 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -101.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1072.753806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.753806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.753806 (E_RNA) where: Base-Base interactions energy: -735.857 where: short stacking energy: -289.698 Base-Backbone interact. energy: -2.472 local terms energy: -334.425164 where: bonds (distance) C4'-P energy: -64.637 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -42.059 tors. eta vs tors. theta energy: -87.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -974.937216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.937216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.937216 (E_RNA) where: Base-Base interactions energy: -647.857 where: short stacking energy: -293.033 Base-Backbone interact. energy: -1.306 local terms energy: -325.773535 where: bonds (distance) C4'-P energy: -63.656 bonds (distance) P-C4' energy: -72.114 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -30.982 tors. eta vs tors. theta energy: -87.646 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: 6, replica: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -911.054959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.054959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.054959 (E_RNA) where: Base-Base interactions energy: -582.332 where: short stacking energy: -262.236 Base-Backbone interact. energy: -1.384 local terms energy: -327.338887 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -70.936 flat angles P-C4'-P energy: -42.675 tors. eta vs tors. theta energy: -76.147 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: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -779.265534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.265534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.265534 (E_RNA) where: Base-Base interactions energy: -484.258 where: short stacking energy: -218.116 Base-Backbone interact. energy: -1.680 local terms energy: -293.328066 where: bonds (distance) C4'-P energy: -69.460 bonds (distance) P-C4' energy: -60.854 flat angles C4'-P-C4' energy: -58.331 flat angles P-C4'-P energy: -43.844 tors. eta vs tors. theta energy: -60.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -589.573629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.573629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.573629 (E_RNA) where: Base-Base interactions energy: -332.773 where: short stacking energy: -160.092 Base-Backbone interact. energy: -1.702 local terms energy: -255.098030 where: bonds (distance) C4'-P energy: -49.395 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -61.499 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -28.611 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: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -481.231576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.231576 (E_RNA) where: Base-Base interactions energy: -269.499 where: short stacking energy: -144.005 Base-Backbone interact. energy: -0.807 local terms energy: -210.925006 where: bonds (distance) C4'-P energy: -52.347 bonds (distance) P-C4' energy: -76.815 flat angles C4'-P-C4' energy: -54.604 flat angles P-C4'-P energy: -22.880 tors. eta vs tors. theta energy: -4.278 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: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -297.971284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.971284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.971284 (E_RNA) where: Base-Base interactions energy: -98.961 where: short stacking energy: -74.414 Base-Backbone interact. energy: -2.186 local terms energy: -196.824303 where: bonds (distance) C4'-P energy: -69.933 bonds (distance) P-C4' energy: -76.270 flat angles C4'-P-C4' energy: -46.416 flat angles P-C4'-P energy: -19.098 tors. eta vs tors. theta energy: 14.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1220.899884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.899884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.899884 (E_RNA) where: Base-Base interactions energy: -849.968 where: short stacking energy: -371.658 Base-Backbone interact. energy: -1.291 local terms energy: -369.641292 where: bonds (distance) C4'-P energy: -64.493 bonds (distance) P-C4' energy: -66.904 flat angles C4'-P-C4' energy: -80.576 flat angles P-C4'-P energy: -53.281 tors. eta vs tors. theta energy: -104.387 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: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1221.157620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.157620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.157620 (E_RNA) where: Base-Base interactions energy: -852.065 where: short stacking energy: -338.732 Base-Backbone interact. energy: -1.557 local terms energy: -367.535355 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -71.203 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -97.565 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: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1154.339092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.339092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.339092 (E_RNA) where: Base-Base interactions energy: -799.059 where: short stacking energy: -337.804 Base-Backbone interact. energy: -2.075 local terms energy: -353.205622 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -69.021 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -47.310 tors. eta vs tors. theta energy: -95.684 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1077.768122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.768122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.768122 (E_RNA) where: Base-Base interactions energy: -742.235 where: short stacking energy: -313.447 Base-Backbone interact. energy: -0.678 local terms energy: -334.855204 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -65.912 flat angles P-C4'-P energy: -41.350 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: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1050.315084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.315084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.315084 (E_RNA) where: Base-Base interactions energy: -677.494 where: short stacking energy: -296.372 Base-Backbone interact. energy: 3.012 local terms energy: -375.833024 where: bonds (distance) C4'-P energy: -65.846 bonds (distance) P-C4' energy: -76.357 flat angles C4'-P-C4' energy: -83.196 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -97.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -895.423597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.423597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.423597 (E_RNA) where: Base-Base interactions energy: -590.021 where: short stacking energy: -271.170 Base-Backbone interact. energy: -2.791 local terms energy: -302.610886 where: bonds (distance) C4'-P energy: -63.389 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -68.068 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -65.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -759.229860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.229860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.229860 (E_RNA) where: Base-Base interactions energy: -464.739 where: short stacking energy: -191.191 Base-Backbone interact. energy: -1.659 local terms energy: -292.832290 where: bonds (distance) C4'-P energy: -68.861 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: -37.053 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: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -591.790935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.790935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.790935 (E_RNA) where: Base-Base interactions energy: -339.211 where: short stacking energy: -163.204 Base-Backbone interact. energy: 1.649 local terms energy: -254.229553 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -69.364 flat angles C4'-P-C4' energy: -66.721 flat angles P-C4'-P energy: -43.905 tors. eta vs tors. theta energy: -20.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -479.718921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.718921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.718921 (E_RNA) where: Base-Base interactions energy: -278.699 where: short stacking energy: -129.352 Base-Backbone interact. energy: 1.123 local terms energy: -202.142236 where: bonds (distance) C4'-P energy: -54.576 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -51.367 flat angles P-C4'-P energy: -32.647 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -296.709896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.709896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.709896 (E_RNA) where: Base-Base interactions energy: -108.624 where: short stacking energy: -99.405 Base-Backbone interact. energy: -0.673 local terms energy: -187.413040 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -45.470 flat angles P-C4'-P energy: -35.271 tors. eta vs tors. theta energy: 5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1241.384039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.384039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.384039 (E_RNA) where: Base-Base interactions energy: -855.295 where: short stacking energy: -364.880 Base-Backbone interact. energy: -1.577 local terms energy: -384.512078 where: bonds (distance) C4'-P energy: -69.639 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -82.786 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -111.061 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: 198 Temperature: 0.950000 Total energy: -1205.110730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.110730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.110730 (E_RNA) where: Base-Base interactions energy: -841.064 where: short stacking energy: -332.890 Base-Backbone interact. energy: -3.209 local terms energy: -360.837401 where: bonds (distance) C4'-P energy: -70.683 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -75.295 flat angles P-C4'-P energy: -53.563 tors. eta vs tors. theta energy: -91.459 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: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1156.540409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.540409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.540409 (E_RNA) where: Base-Base interactions energy: -794.252 where: short stacking energy: -326.551 Base-Backbone interact. energy: -1.559 local terms energy: -360.729080 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -81.578 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -105.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1099.444284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.444284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.444284 (E_RNA) where: Base-Base interactions energy: -740.544 where: short stacking energy: -317.527 Base-Backbone interact. energy: 0.510 local terms energy: -359.410958 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -75.949 flat angles C4'-P-C4' energy: -70.999 flat angles P-C4'-P energy: -48.849 tors. eta vs tors. theta energy: -101.331 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1009.970151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.970151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.970151 (E_RNA) where: Base-Base interactions energy: -681.243 where: short stacking energy: -309.725 Base-Backbone interact. energy: -2.027 local terms energy: -326.700969 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -59.121 flat angles C4'-P-C4' energy: -69.199 flat angles P-C4'-P energy: -49.127 tors. eta vs tors. theta energy: -92.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -883.555132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.555132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.555132 (E_RNA) where: Base-Base interactions energy: -570.746 where: short stacking energy: -251.227 Base-Backbone interact. energy: 1.453 local terms energy: -314.262618 where: bonds (distance) C4'-P energy: -62.268 bonds (distance) P-C4' energy: -71.281 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -50.010 tors. eta vs tors. theta energy: -71.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -777.347672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.347672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.347672 (E_RNA) where: Base-Base interactions energy: -511.086 where: short stacking energy: -226.077 Base-Backbone interact. energy: -0.330 local terms energy: -265.932286 where: bonds (distance) C4'-P energy: -59.785 bonds (distance) P-C4' energy: -52.226 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -52.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -565.178607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.178607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.178607 (E_RNA) where: Base-Base interactions energy: -330.066 where: short stacking energy: -149.308 Base-Backbone interact. energy: 2.012 local terms energy: -237.125107 where: bonds (distance) C4'-P energy: -58.701 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -32.796 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -504.004509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.004509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.004509 (E_RNA) where: Base-Base interactions energy: -267.146 where: short stacking energy: -136.710 Base-Backbone interact. energy: -0.639 local terms energy: -236.219693 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -58.999 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -15.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -308.895662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.895662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.895662 (E_RNA) where: Base-Base interactions energy: -111.186 where: short stacking energy: -84.106 Base-Backbone interact. energy: 1.765 local terms energy: -199.474174 where: bonds (distance) C4'-P energy: -61.044 bonds (distance) P-C4' energy: -63.777 flat angles C4'-P-C4' energy: -52.848 flat angles P-C4'-P energy: -26.212 tors. eta vs tors. theta energy: 4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1229.349834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.349834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.349834 (E_RNA) where: Base-Base interactions energy: -847.071 where: short stacking energy: -357.534 Base-Backbone interact. energy: -2.027 local terms energy: -380.252229 where: bonds (distance) C4'-P energy: -64.217 bonds (distance) P-C4' energy: -81.745 flat angles C4'-P-C4' energy: -74.814 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -104.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1193.154365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.154365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.154365 (E_RNA) where: Base-Base interactions energy: -840.757 where: short stacking energy: -336.445 Base-Backbone interact. energy: -0.259 local terms energy: -352.138235 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -91.838 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: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1150.367165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.367165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.367165 (E_RNA) where: Base-Base interactions energy: -783.824 where: short stacking energy: -326.965 Base-Backbone interact. energy: -0.321 local terms energy: -366.221664 where: bonds (distance) C4'-P energy: -75.971 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -40.153 tors. eta vs tors. theta energy: -103.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1064.646871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.646871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.646871 (E_RNA) where: Base-Base interactions energy: -738.332 where: short stacking energy: -300.643 Base-Backbone interact. energy: -1.116 local terms energy: -325.198966 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -39.301 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: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1003.265654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.265654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.265654 (E_RNA) where: Base-Base interactions energy: -665.581 where: short stacking energy: -290.099 Base-Backbone interact. energy: -1.844 local terms energy: -335.840949 where: bonds (distance) C4'-P energy: -65.436 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -75.050 flat angles P-C4'-P energy: -40.601 tors. eta vs tors. theta energy: -86.704 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: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -889.317586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.317586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.317586 (E_RNA) where: Base-Base interactions energy: -580.846 where: short stacking energy: -257.581 Base-Backbone interact. energy: -2.119 local terms energy: -306.352175 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -68.330 flat angles C4'-P-C4' energy: -68.179 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -66.235 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: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -780.344845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.344845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.344845 (E_RNA) where: Base-Base interactions energy: -503.239 where: short stacking energy: -226.513 Base-Backbone interact. energy: -2.265 local terms energy: -274.841278 where: bonds (distance) C4'-P energy: -55.536 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -33.503 tors. eta vs tors. theta energy: -57.525 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -490.519899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.519899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.519899 (E_RNA) where: Base-Base interactions energy: -254.037 where: short stacking energy: -139.987 Base-Backbone interact. energy: 2.914 local terms energy: -239.396745 where: bonds (distance) C4'-P energy: -52.312 bonds (distance) P-C4' energy: -66.882 flat angles C4'-P-C4' energy: -58.402 flat angles P-C4'-P energy: -37.916 tors. eta vs tors. theta energy: -23.884 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: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -454.852924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.852924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.852924 (E_RNA) where: Base-Base interactions energy: -228.167 where: short stacking energy: -128.605 Base-Backbone interact. energy: 1.271 local terms energy: -227.956664 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -54.661 flat angles P-C4'-P energy: -25.007 tors. eta vs tors. theta energy: -23.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -318.013279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.013279 (E_RNA) where: Base-Base interactions energy: -136.422 where: short stacking energy: -81.578 Base-Backbone interact. energy: 4.062 local terms energy: -185.654165 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -47.645 flat angles P-C4'-P energy: -21.351 tors. eta vs tors. theta energy: 5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1205.917243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.917243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.917243 (E_RNA) where: Base-Base interactions energy: -817.380 where: short stacking energy: -344.965 Base-Backbone interact. energy: 4.823 local terms energy: -393.360360 where: bonds (distance) C4'-P energy: -74.120 bonds (distance) P-C4' energy: -74.866 flat angles C4'-P-C4' energy: -82.136 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -104.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1222.219909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.219909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.219909 (E_RNA) where: Base-Base interactions energy: -851.396 where: short stacking energy: -337.127 Base-Backbone interact. energy: -0.688 local terms energy: -370.136410 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -80.204 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -98.869 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: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1161.610836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.610836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.610836 (E_RNA) where: Base-Base interactions energy: -789.181 where: short stacking energy: -326.497 Base-Backbone interact. energy: -2.835 local terms energy: -369.594356 where: bonds (distance) C4'-P energy: -75.349 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -63.157 flat angles P-C4'-P energy: -56.513 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1053.801552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.801552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.801552 (E_RNA) where: Base-Base interactions energy: -705.211 where: short stacking energy: -309.612 Base-Backbone interact. energy: 0.845 local terms energy: -349.435721 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -79.859 flat angles C4'-P-C4' energy: -70.218 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: -87.442 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: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -990.289678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.289678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.289678 (E_RNA) where: Base-Base interactions energy: -658.748 where: short stacking energy: -277.918 Base-Backbone interact. energy: -0.097 local terms energy: -331.444325 where: bonds (distance) C4'-P energy: -75.833 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -74.688 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -63.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -893.937153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.937153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.937153 (E_RNA) where: Base-Base interactions energy: -578.898 where: short stacking energy: -257.008 Base-Backbone interact. energy: 2.823 local terms energy: -317.861694 where: bonds (distance) C4'-P energy: -66.994 bonds (distance) P-C4' energy: -66.671 flat angles C4'-P-C4' energy: -70.232 flat angles P-C4'-P energy: -45.616 tors. eta vs tors. theta energy: -68.349 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: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -744.120740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.120740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.120740 (E_RNA) where: Base-Base interactions energy: -441.214 where: short stacking energy: -190.502 Base-Backbone interact. energy: -1.683 local terms energy: -301.224021 where: bonds (distance) C4'-P energy: -71.033 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -54.708 flat angles P-C4'-P energy: -52.539 tors. eta vs tors. theta energy: -53.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -488.648696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.648696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.648696 (E_RNA) where: Base-Base interactions energy: -250.299 where: short stacking energy: -128.473 Base-Backbone interact. energy: -0.220 local terms energy: -238.128992 where: bonds (distance) C4'-P energy: -59.247 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -62.967 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: -14.078 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: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -479.389134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.389134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.389134 (E_RNA) where: Base-Base interactions energy: -255.972 where: short stacking energy: -129.461 Base-Backbone interact. energy: -0.813 local terms energy: -222.604272 where: bonds (distance) C4'-P energy: -67.042 bonds (distance) P-C4' energy: -64.190 flat angles C4'-P-C4' energy: -55.905 flat angles P-C4'-P energy: -22.669 tors. eta vs tors. theta energy: -12.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -300.664984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.664984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.664984 (E_RNA) where: Base-Base interactions energy: -100.862 where: short stacking energy: -90.978 Base-Backbone interact. energy: 0.092 local terms energy: -199.895746 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -64.234 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: 14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1220.472071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.472071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.472071 (E_RNA) where: Base-Base interactions energy: -831.850 where: short stacking energy: -343.799 Base-Backbone interact. energy: 1.359 local terms energy: -389.980595 where: bonds (distance) C4'-P energy: -73.052 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -82.069 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -103.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1230.021701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.021701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.021701 (E_RNA) where: Base-Base interactions energy: -870.892 where: short stacking energy: -324.168 Base-Backbone interact. energy: 0.182 local terms energy: -359.312092 where: bonds (distance) C4'-P energy: -68.687 bonds (distance) P-C4' energy: -73.398 flat angles C4'-P-C4' energy: -72.758 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -96.189 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: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1166.632535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.632535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.632535 (E_RNA) where: Base-Base interactions energy: -805.105 where: short stacking energy: -334.661 Base-Backbone interact. energy: 4.876 local terms energy: -366.403157 where: bonds (distance) C4'-P energy: -69.170 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -77.134 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -111.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1071.936261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.936261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.936261 (E_RNA) where: Base-Base interactions energy: -726.468 where: short stacking energy: -300.209 Base-Backbone interact. energy: -2.282 local terms energy: -343.186766 where: bonds (distance) C4'-P energy: -59.679 bonds (distance) P-C4' energy: -71.886 flat angles C4'-P-C4' energy: -71.404 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -92.269 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: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -984.709148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.709148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.709148 (E_RNA) where: Base-Base interactions energy: -651.814 where: short stacking energy: -270.499 Base-Backbone interact. energy: -0.167 local terms energy: -332.728865 where: bonds (distance) C4'-P energy: -62.190 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -44.200 tors. eta vs tors. theta energy: -90.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -928.937001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.937001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.937001 (E_RNA) where: Base-Base interactions energy: -609.745 where: short stacking energy: -269.528 Base-Backbone interact. energy: -1.008 local terms energy: -318.184141 where: bonds (distance) C4'-P energy: -57.004 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -77.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -693.538812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.538812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.538812 (E_RNA) where: Base-Base interactions energy: -425.417 where: short stacking energy: -205.521 Base-Backbone interact. energy: -0.396 local terms energy: -267.725566 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -61.441 flat angles P-C4'-P energy: -31.492 tors. eta vs tors. theta energy: -44.445 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: 201 Temperature: 1.250000 Total energy: -478.188854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.188854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.188854 (E_RNA) where: Base-Base interactions energy: -251.316 where: short stacking energy: -139.293 Base-Backbone interact. energy: -1.640 local terms energy: -225.232733 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -56.458 flat angles P-C4'-P energy: -24.766 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -470.606074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.606074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.606074 (E_RNA) where: Base-Base interactions energy: -232.154 where: short stacking energy: -127.226 Base-Backbone interact. energy: 0.189 local terms energy: -238.641176 where: bonds (distance) C4'-P energy: -57.666 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: -4.645 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: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -296.161334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.161334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.161334 (E_RNA) where: Base-Base interactions energy: -95.344 where: short stacking energy: -88.527 Base-Backbone interact. energy: 0.335 local terms energy: -201.153151 where: bonds (distance) C4'-P energy: -62.698 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -21.895 tors. eta vs tors. theta energy: 6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1213.429208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.429208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.429208 (E_RNA) where: Base-Base interactions energy: -816.475 where: short stacking energy: -349.537 Base-Backbone interact. energy: -1.358 local terms energy: -395.596305 where: bonds (distance) C4'-P energy: -72.037 bonds (distance) P-C4' energy: -79.690 flat angles C4'-P-C4' energy: -90.171 flat angles P-C4'-P energy: -58.812 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: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1227.799887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.799887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.799887 (E_RNA) where: Base-Base interactions energy: -866.007 where: short stacking energy: -350.725 Base-Backbone interact. energy: 1.569 local terms energy: -363.361665 where: bonds (distance) C4'-P energy: -63.395 bonds (distance) P-C4' energy: -78.897 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -100.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1180.322254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.322254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.322254 (E_RNA) where: Base-Base interactions energy: -814.890 where: short stacking energy: -339.714 Base-Backbone interact. energy: -0.605 local terms energy: -364.827731 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -80.318 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -109.681 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: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1088.448193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.448193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.448193 (E_RNA) where: Base-Base interactions energy: -757.138 where: short stacking energy: -309.789 Base-Backbone interact. energy: 1.117 local terms energy: -332.427974 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -67.497 flat angles C4'-P-C4' energy: -64.118 flat angles P-C4'-P energy: -52.788 tors. eta vs tors. theta energy: -86.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -970.614305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.614305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.614305 (E_RNA) where: Base-Base interactions energy: -642.891 where: short stacking energy: -294.345 Base-Backbone interact. energy: -1.107 local terms energy: -326.616093 where: bonds (distance) C4'-P energy: -62.735 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -75.902 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: -75.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -924.079863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.079863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.079863 (E_RNA) where: Base-Base interactions energy: -611.284 where: short stacking energy: -257.778 Base-Backbone interact. energy: -1.201 local terms energy: -311.595231 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -67.980 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -70.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -668.699868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.699868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.699868 (E_RNA) where: Base-Base interactions energy: -411.092 where: short stacking energy: -178.791 Base-Backbone interact. energy: -0.633 local terms energy: -256.974945 where: bonds (distance) C4'-P energy: -50.976 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -68.166 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -34.777 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -445.770849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.770849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.770849 (E_RNA) where: Base-Base interactions energy: -255.261 where: short stacking energy: -124.733 Base-Backbone interact. energy: 0.124 local terms energy: -190.634200 where: bonds (distance) C4'-P energy: -45.824 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -41.567 flat angles P-C4'-P energy: -26.476 tors. eta vs tors. theta energy: -7.596 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: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -470.199853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.199853 (E_RNA) where: Base-Base interactions energy: -257.235 where: short stacking energy: -115.869 Base-Backbone interact. energy: 1.771 local terms energy: -214.735756 where: bonds (distance) C4'-P energy: -65.823 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -20.068 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -294.982919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.982919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.982919 (E_RNA) where: Base-Base interactions energy: -108.874 where: short stacking energy: -78.787 Base-Backbone interact. energy: -1.348 local terms energy: -184.760214 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -39.095 flat angles P-C4'-P energy: -34.030 tors. eta vs tors. theta energy: 8.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1197.034688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.034688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.034688 (E_RNA) where: Base-Base interactions energy: -815.905 where: short stacking energy: -342.941 Base-Backbone interact. energy: -2.546 local terms energy: -378.583537 where: bonds (distance) C4'-P energy: -75.516 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -88.336 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -99.767 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: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1235.750221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.750221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.750221 (E_RNA) where: Base-Base interactions energy: -870.825 where: short stacking energy: -342.927 Base-Backbone interact. energy: 0.083 local terms energy: -365.007557 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -75.678 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -88.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1148.469319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.469319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.469319 (E_RNA) where: Base-Base interactions energy: -792.047 where: short stacking energy: -327.506 Base-Backbone interact. energy: -1.329 local terms energy: -355.093267 where: bonds (distance) C4'-P energy: -56.407 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -83.868 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -105.161 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: 203 Temperature: 1.050000 Total energy: -1127.454037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.454037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.454037 (E_RNA) where: Base-Base interactions energy: -753.956 where: short stacking energy: -309.935 Base-Backbone interact. energy: -2.198 local terms energy: -371.300181 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -69.413 flat angles C4'-P-C4' energy: -76.668 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -88.797 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: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -944.849921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.849921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.849921 (E_RNA) where: Base-Base interactions energy: -596.377 where: short stacking energy: -265.792 Base-Backbone interact. energy: -0.649 local terms energy: -347.823936 where: bonds (distance) C4'-P energy: -64.792 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: -75.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -912.457242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.457242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.457242 (E_RNA) where: Base-Base interactions energy: -592.239 where: short stacking energy: -245.215 Base-Backbone interact. energy: -0.753 local terms energy: -319.465341 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -70.336 flat angles P-C4'-P energy: -41.759 tors. eta vs tors. theta energy: -71.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -734.554185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.554185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.554185 (E_RNA) where: Base-Base interactions energy: -454.416 where: short stacking energy: -204.348 Base-Backbone interact. energy: -0.109 local terms energy: -280.029035 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -70.454 flat angles P-C4'-P energy: -39.889 tors. eta vs tors. theta energy: -49.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -508.556955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.556955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.556955 (E_RNA) where: Base-Base interactions energy: -264.803 where: short stacking energy: -133.517 Base-Backbone interact. energy: -1.672 local terms energy: -242.082423 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -74.012 flat angles C4'-P-C4' energy: -69.047 flat angles P-C4'-P energy: -34.075 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -425.865146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.865146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.865146 (E_RNA) where: Base-Base interactions energy: -225.256 where: short stacking energy: -136.075 Base-Backbone interact. energy: -0.316 local terms energy: -200.293326 where: bonds (distance) C4'-P energy: -49.221 bonds (distance) P-C4' energy: -48.474 flat angles C4'-P-C4' energy: -60.204 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -298.192789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.192789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.192789 (E_RNA) where: Base-Base interactions energy: -116.940 where: short stacking energy: -92.776 Base-Backbone interact. energy: 4.921 local terms energy: -186.174201 where: bonds (distance) C4'-P energy: -52.209 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -50.435 flat angles P-C4'-P energy: -28.657 tors. eta vs tors. theta energy: 5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1182.102484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.102484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.102484 (E_RNA) where: Base-Base interactions energy: -810.298 where: short stacking energy: -338.601 Base-Backbone interact. energy: -2.362 local terms energy: -369.442063 where: bonds (distance) C4'-P energy: -71.104 bonds (distance) P-C4' energy: -77.027 flat angles C4'-P-C4' energy: -81.633 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -84.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1204.719797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.719797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.719797 (E_RNA) where: Base-Base interactions energy: -858.381 where: short stacking energy: -326.911 Base-Backbone interact. energy: 2.611 local terms energy: -348.949284 where: bonds (distance) C4'-P energy: -68.822 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -72.371 flat angles P-C4'-P energy: -53.243 tors. eta vs tors. theta energy: -86.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1149.623650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.623650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.623650 (E_RNA) where: Base-Base interactions energy: -794.357 where: short stacking energy: -335.767 Base-Backbone interact. energy: -1.130 local terms energy: -354.137126 where: bonds (distance) C4'-P energy: -57.755 bonds (distance) P-C4' energy: -71.219 flat angles C4'-P-C4' energy: -72.446 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -104.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1125.722359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.722359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.722359 (E_RNA) where: Base-Base interactions energy: -781.710 where: short stacking energy: -329.520 Base-Backbone interact. energy: 4.578 local terms energy: -348.590268 where: bonds (distance) C4'-P energy: -57.736 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -79.320 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -100.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -927.888124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.888124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.888124 (E_RNA) where: Base-Base interactions energy: -591.580 where: short stacking energy: -246.963 Base-Backbone interact. energy: -0.658 local terms energy: -335.650530 where: bonds (distance) C4'-P energy: -82.549 bonds (distance) P-C4' energy: -72.346 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -74.584 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: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -876.515855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.515855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.515855 (E_RNA) where: Base-Base interactions energy: -566.393 where: short stacking energy: -236.292 Base-Backbone interact. energy: -0.611 local terms energy: -309.511407 where: bonds (distance) C4'-P energy: -70.609 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -65.606 flat angles P-C4'-P energy: -43.172 tors. eta vs tors. theta energy: -62.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -789.658221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.658221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.658221 (E_RNA) where: Base-Base interactions energy: -501.365 where: short stacking energy: -208.467 Base-Backbone interact. energy: 1.039 local terms energy: -289.332177 where: bonds (distance) C4'-P energy: -72.082 bonds (distance) P-C4' energy: -64.900 flat angles C4'-P-C4' energy: -70.098 flat angles P-C4'-P energy: -26.813 tors. eta vs tors. theta energy: -55.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -562.928342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.928342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.928342 (E_RNA) where: Base-Base interactions energy: -305.211 where: short stacking energy: -170.012 Base-Backbone interact. energy: -0.875 local terms energy: -256.842289 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -61.625 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -30.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -431.892741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.892741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.892741 (E_RNA) where: Base-Base interactions energy: -206.792 where: short stacking energy: -117.562 Base-Backbone interact. energy: -0.756 local terms energy: -224.344865 where: bonds (distance) C4'-P energy: -66.163 bonds (distance) P-C4' energy: -75.612 flat angles C4'-P-C4' energy: -54.939 flat angles P-C4'-P energy: -20.068 tors. eta vs tors. theta energy: -7.562 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: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -276.358560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.358560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.358560 (E_RNA) where: Base-Base interactions energy: -64.989 where: short stacking energy: -59.577 Base-Backbone interact. energy: 0.907 local terms energy: -212.277312 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -49.326 flat angles P-C4'-P energy: -31.263 tors. eta vs tors. theta energy: 18.607 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: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1192.380374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.380374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.380374 (E_RNA) where: Base-Base interactions energy: -826.934 where: short stacking energy: -337.076 Base-Backbone interact. energy: -1.430 local terms energy: -364.016868 where: bonds (distance) C4'-P energy: -70.657 bonds (distance) P-C4' energy: -70.099 flat angles C4'-P-C4' energy: -69.195 flat angles P-C4'-P energy: -60.333 tors. eta vs tors. theta energy: -93.733 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: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1215.147053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.147053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.147053 (E_RNA) where: Base-Base interactions energy: -855.531 where: short stacking energy: -323.733 Base-Backbone interact. energy: -2.138 local terms energy: -357.478340 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -71.003 flat angles C4'-P-C4' energy: -73.931 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -92.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1160.377516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.377516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.377516 (E_RNA) where: Base-Base interactions energy: -796.982 where: short stacking energy: -338.846 Base-Backbone interact. energy: -0.961 local terms energy: -362.435349 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -83.363 flat angles P-C4'-P energy: -49.875 tors. eta vs tors. theta energy: -101.850 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: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1081.170786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.170786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.170786 (E_RNA) where: Base-Base interactions energy: -755.236 where: short stacking energy: -311.094 Base-Backbone interact. energy: 0.401 local terms energy: -326.336025 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -73.214 flat angles C4'-P-C4' energy: -61.311 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: -93.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -924.830973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.830973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.830973 (E_RNA) where: Base-Base interactions energy: -597.599 where: short stacking energy: -280.193 Base-Backbone interact. energy: -0.914 local terms energy: -326.318185 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -40.950 tors. eta vs tors. theta energy: -77.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -870.189764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.189764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.189764 (E_RNA) where: Base-Base interactions energy: -560.534 where: short stacking energy: -228.369 Base-Backbone interact. energy: 0.386 local terms energy: -310.041837 where: bonds (distance) C4'-P energy: -73.523 bonds (distance) P-C4' energy: -63.658 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -37.587 tors. eta vs tors. theta energy: -64.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -821.781295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.781295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.781295 (E_RNA) where: Base-Base interactions energy: -530.546 where: short stacking energy: -237.541 Base-Backbone interact. energy: 0.402 local terms energy: -291.636653 where: bonds (distance) C4'-P energy: -65.442 bonds (distance) P-C4' energy: -67.185 flat angles C4'-P-C4' energy: -62.697 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -56.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -522.510049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.510049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.510049 (E_RNA) where: Base-Base interactions energy: -289.460 where: short stacking energy: -150.731 Base-Backbone interact. energy: -1.326 local terms energy: -231.724160 where: bonds (distance) C4'-P energy: -71.257 bonds (distance) P-C4' energy: -63.399 flat angles C4'-P-C4' energy: -56.601 flat angles P-C4'-P energy: -32.702 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -457.188401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.188401 (E_RNA) where: Base-Base interactions energy: -245.164 where: short stacking energy: -129.913 Base-Backbone interact. energy: 3.423 local terms energy: -215.448080 where: bonds (distance) C4'-P energy: -48.598 bonds (distance) P-C4' energy: -59.353 flat angles C4'-P-C4' energy: -56.589 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -11.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -319.551445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.551445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.551445 (E_RNA) where: Base-Base interactions energy: -111.737 where: short stacking energy: -84.922 Base-Backbone interact. energy: 0.410 local terms energy: -208.224622 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -58.068 flat angles C4'-P-C4' energy: -61.264 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: 8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1222.166699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.166699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.166699 (E_RNA) where: Base-Base interactions energy: -866.622 where: short stacking energy: -334.616 Base-Backbone interact. energy: 2.115 local terms energy: -357.659672 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -81.903 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -95.817 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: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1176.526397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.526397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.526397 (E_RNA) where: Base-Base interactions energy: -786.652 where: short stacking energy: -329.917 Base-Backbone interact. energy: -2.649 local terms energy: -387.224722 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -77.512 flat angles C4'-P-C4' energy: -85.423 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: -101.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1165.153865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.153865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.153865 (E_RNA) where: Base-Base interactions energy: -799.017 where: short stacking energy: -320.366 Base-Backbone interact. energy: -1.664 local terms energy: -364.472967 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -79.901 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: -95.230 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: 206 Temperature: 1.050000 Total energy: -1109.517306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.517306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.517306 (E_RNA) where: Base-Base interactions energy: -760.457 where: short stacking energy: -312.680 Base-Backbone interact. energy: -0.760 local terms energy: -348.300205 where: bonds (distance) C4'-P energy: -56.739 bonds (distance) P-C4' energy: -75.775 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -54.374 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: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -926.376450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.376450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.376450 (E_RNA) where: Base-Base interactions energy: -594.030 where: short stacking energy: -275.260 Base-Backbone interact. energy: -1.349 local terms energy: -330.997749 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -76.937 flat angles P-C4'-P energy: -51.940 tors. eta vs tors. theta energy: -73.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -866.937267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.937267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.937267 (E_RNA) where: Base-Base interactions energy: -545.403 where: short stacking energy: -239.396 Base-Backbone interact. energy: -0.716 local terms energy: -320.818083 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -68.398 flat angles C4'-P-C4' energy: -62.931 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -66.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -802.930457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.930457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.930457 (E_RNA) where: Base-Base interactions energy: -519.589 where: short stacking energy: -230.509 Base-Backbone interact. energy: 4.232 local terms energy: -287.573665 where: bonds (distance) C4'-P energy: -49.345 bonds (distance) P-C4' energy: -60.026 flat angles C4'-P-C4' energy: -74.530 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -64.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -591.504724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.504724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.504724 (E_RNA) where: Base-Base interactions energy: -351.168 where: short stacking energy: -172.765 Base-Backbone interact. energy: -1.746 local terms energy: -238.591173 where: bonds (distance) C4'-P energy: -47.610 bonds (distance) P-C4' energy: -59.450 flat angles C4'-P-C4' energy: -70.285 flat angles P-C4'-P energy: -21.230 tors. eta vs tors. theta energy: -40.016 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: 206 Temperature: 1.300000 Total energy: -408.754695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.754695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.754695 (E_RNA) where: Base-Base interactions energy: -205.134 where: short stacking energy: -116.835 Base-Backbone interact. energy: 0.691 local terms energy: -204.312113 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -44.612 flat angles P-C4'-P energy: -29.365 tors. eta vs tors. theta energy: -10.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -285.980811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.980811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.980811 (E_RNA) where: Base-Base interactions energy: -89.509 where: short stacking energy: -77.116 Base-Backbone interact. energy: 0.058 local terms energy: -196.530517 where: bonds (distance) C4'-P energy: -49.001 bonds (distance) P-C4' energy: -63.019 flat angles C4'-P-C4' energy: -56.476 flat angles P-C4'-P energy: -36.783 tors. eta vs tors. theta energy: 8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1257.256714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.256714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.256714 (E_RNA) where: Base-Base interactions energy: -873.808 where: short stacking energy: -355.325 Base-Backbone interact. energy: -1.436 local terms energy: -382.012554 where: bonds (distance) C4'-P energy: -84.356 bonds (distance) P-C4' energy: -70.585 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: -96.187 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: 207 Temperature: 0.950000 Total energy: -1197.652164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.652164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.652164 (E_RNA) where: Base-Base interactions energy: -812.076 where: short stacking energy: -329.344 Base-Backbone interact. energy: -0.722 local terms energy: -384.853978 where: bonds (distance) C4'-P energy: -64.980 bonds (distance) P-C4' energy: -80.304 flat angles C4'-P-C4' energy: -79.137 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: -99.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1176.395265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.395265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.395265 (E_RNA) where: Base-Base interactions energy: -813.837 where: short stacking energy: -337.765 Base-Backbone interact. energy: -0.575 local terms energy: -361.982531 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -76.005 flat angles C4'-P-C4' energy: -79.380 flat angles P-C4'-P energy: -49.447 tors. eta vs tors. theta energy: -93.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1136.622344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.622344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.622344 (E_RNA) where: Base-Base interactions energy: -777.025 where: short stacking energy: -317.537 Base-Backbone interact. energy: -2.050 local terms energy: -357.547441 where: bonds (distance) C4'-P energy: -68.368 bonds (distance) P-C4' energy: -70.976 flat angles C4'-P-C4' energy: -73.579 flat angles P-C4'-P energy: -48.159 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: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -897.108167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.108167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.108167 (E_RNA) where: Base-Base interactions energy: -579.758 where: short stacking energy: -254.229 Base-Backbone interact. energy: 1.433 local terms energy: -318.783412 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -70.012 flat angles C4'-P-C4' energy: -77.279 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -67.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -880.754561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.754561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.754561 (E_RNA) where: Base-Base interactions energy: -569.733 where: short stacking energy: -260.245 Base-Backbone interact. energy: -0.511 local terms energy: -310.510684 where: bonds (distance) C4'-P energy: -66.490 bonds (distance) P-C4' energy: -72.030 flat angles C4'-P-C4' energy: -64.026 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -61.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -813.559610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.559610 (E_RNA) where: Base-Base interactions energy: -529.013 where: short stacking energy: -229.322 Base-Backbone interact. energy: -0.827 local terms energy: -283.718950 where: bonds (distance) C4'-P energy: -60.999 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -67.230 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: -57.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -586.138599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.138599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.138599 (E_RNA) where: Base-Base interactions energy: -333.300 where: short stacking energy: -163.178 Base-Backbone interact. energy: -1.521 local terms energy: -251.317553 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -71.715 flat angles C4'-P-C4' energy: -57.705 flat angles P-C4'-P energy: -28.991 tors. eta vs tors. theta energy: -28.119 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: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -358.098974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.098974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.098974 (E_RNA) where: Base-Base interactions energy: -165.602 where: short stacking energy: -111.877 Base-Backbone interact. energy: 2.245 local terms energy: -194.742379 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -45.979 flat angles C4'-P-C4' energy: -50.239 flat angles P-C4'-P energy: -19.123 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -293.275068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.275068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.275068 (E_RNA) where: Base-Base interactions energy: -72.868 where: short stacking energy: -67.014 Base-Backbone interact. energy: 0.116 local terms energy: -220.523195 where: bonds (distance) C4'-P energy: -56.386 bonds (distance) P-C4' energy: -61.965 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1249.672233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.672233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.672233 (E_RNA) where: Base-Base interactions energy: -880.112 where: short stacking energy: -348.207 Base-Backbone interact. energy: 1.935 local terms energy: -371.495224 where: bonds (distance) C4'-P energy: -69.556 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -84.124 flat angles P-C4'-P energy: -42.094 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: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1193.232717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.232717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.232717 (E_RNA) where: Base-Base interactions energy: -806.788 where: short stacking energy: -337.578 Base-Backbone interact. energy: -1.692 local terms energy: -384.753219 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -69.448 flat angles C4'-P-C4' energy: -84.059 flat angles P-C4'-P energy: -65.562 tors. eta vs tors. theta energy: -99.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1151.424886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.424886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.424886 (E_RNA) where: Base-Base interactions energy: -789.401 where: short stacking energy: -338.708 Base-Backbone interact. energy: -2.642 local terms energy: -359.381664 where: bonds (distance) C4'-P energy: -59.723 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -70.718 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -103.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1094.606850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.606850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.606850 (E_RNA) where: Base-Base interactions energy: -734.376 where: short stacking energy: -306.168 Base-Backbone interact. energy: -1.200 local terms energy: -359.031143 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -75.400 flat angles C4'-P-C4' energy: -72.218 flat angles P-C4'-P energy: -49.419 tors. eta vs tors. theta energy: -93.957 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: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -892.968794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.968794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.968794 (E_RNA) where: Base-Base interactions energy: -606.726 where: short stacking energy: -273.415 Base-Backbone interact. energy: 0.473 local terms energy: -286.715879 where: bonds (distance) C4'-P energy: -43.604 bonds (distance) P-C4' energy: -65.934 flat angles C4'-P-C4' energy: -62.964 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: -66.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -806.656640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.656640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.656640 (E_RNA) where: Base-Base interactions energy: -523.521 where: short stacking energy: -232.079 Base-Backbone interact. energy: -1.095 local terms energy: -282.041445 where: bonds (distance) C4'-P energy: -63.006 bonds (distance) P-C4' energy: -58.694 flat angles C4'-P-C4' energy: -70.054 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -47.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -814.942155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.942155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.942155 (E_RNA) where: Base-Base interactions energy: -537.650 where: short stacking energy: -245.730 Base-Backbone interact. energy: -2.647 local terms energy: -274.644634 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -41.684 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: -65.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -545.419066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.419066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.419066 (E_RNA) where: Base-Base interactions energy: -315.570 where: short stacking energy: -152.715 Base-Backbone interact. energy: 2.009 local terms energy: -231.858942 where: bonds (distance) C4'-P energy: -65.036 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -45.954 flat angles P-C4'-P energy: -24.782 tors. eta vs tors. theta energy: -25.446 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: 208 Temperature: 1.300000 Total energy: -374.241212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.241212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.241212 (E_RNA) where: Base-Base interactions energy: -175.469 where: short stacking energy: -93.449 Base-Backbone interact. energy: 0.249 local terms energy: -199.021303 where: bonds (distance) C4'-P energy: -46.050 bonds (distance) P-C4' energy: -65.646 flat angles C4'-P-C4' energy: -51.446 flat angles P-C4'-P energy: -41.467 tors. eta vs tors. theta energy: 5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -288.210643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.210643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.210643 (E_RNA) where: Base-Base interactions energy: -88.820 where: short stacking energy: -79.317 Base-Backbone interact. energy: -1.279 local terms energy: -198.111934 where: bonds (distance) C4'-P energy: -60.594 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -49.420 flat angles P-C4'-P energy: -39.904 tors. eta vs tors. theta energy: 11.415 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: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1250.823816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.823816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.823816 (E_RNA) where: Base-Base interactions energy: -871.852 where: short stacking energy: -344.353 Base-Backbone interact. energy: 0.470 local terms energy: -379.442252 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -68.393 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -106.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1160.135174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.135174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.135174 (E_RNA) where: Base-Base interactions energy: -786.868 where: short stacking energy: -334.096 Base-Backbone interact. energy: -1.988 local terms energy: -371.278764 where: bonds (distance) C4'-P energy: -68.809 bonds (distance) P-C4' energy: -70.032 flat angles C4'-P-C4' energy: -81.857 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -93.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1158.100550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.100550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.100550 (E_RNA) where: Base-Base interactions energy: -780.407 where: short stacking energy: -332.232 Base-Backbone interact. energy: -0.072 local terms energy: -377.622155 where: bonds (distance) C4'-P energy: -76.744 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -85.624 flat angles P-C4'-P energy: -54.889 tors. eta vs tors. theta energy: -99.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1076.945546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.945546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.945546 (E_RNA) where: Base-Base interactions energy: -748.730 where: short stacking energy: -296.278 Base-Backbone interact. energy: 3.064 local terms energy: -331.279353 where: bonds (distance) C4'-P energy: -56.513 bonds (distance) P-C4' energy: -67.940 flat angles C4'-P-C4' energy: -77.209 flat angles P-C4'-P energy: -37.492 tors. eta vs tors. theta energy: -92.126 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: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -974.092019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.092019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.092019 (E_RNA) where: Base-Base interactions energy: -641.867 where: short stacking energy: -280.113 Base-Backbone interact. energy: -1.107 local terms energy: -331.117675 where: bonds (distance) C4'-P energy: -72.515 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -73.267 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: -77.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -792.918280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.918280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.918280 (E_RNA) where: Base-Base interactions energy: -503.003 where: short stacking energy: -233.474 Base-Backbone interact. energy: -0.072 local terms energy: -289.844038 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -63.102 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -47.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -769.371050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.371050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.371050 (E_RNA) where: Base-Base interactions energy: -497.804 where: short stacking energy: -221.645 Base-Backbone interact. energy: 1.065 local terms energy: -272.631678 where: bonds (distance) C4'-P energy: -53.932 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -29.226 tors. eta vs tors. theta energy: -56.470 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: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -590.853980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.853980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.853980 (E_RNA) where: Base-Base interactions energy: -329.410 where: short stacking energy: -162.597 Base-Backbone interact. energy: 3.802 local terms energy: -265.246538 where: bonds (distance) C4'-P energy: -75.336 bonds (distance) P-C4' energy: -64.740 flat angles C4'-P-C4' energy: -70.272 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -12.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -398.379881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.379881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.379881 (E_RNA) where: Base-Base interactions energy: -193.389 where: short stacking energy: -121.458 Base-Backbone interact. energy: 2.658 local terms energy: -207.648661 where: bonds (distance) C4'-P energy: -56.005 bonds (distance) P-C4' energy: -57.395 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -31.978 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -274.235544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.235544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.235544 (E_RNA) where: Base-Base interactions energy: -105.935 where: short stacking energy: -90.390 Base-Backbone interact. energy: -1.752 local terms energy: -166.547589 where: bonds (distance) C4'-P energy: -61.278 bonds (distance) P-C4' energy: -42.987 flat angles C4'-P-C4' energy: -36.966 flat angles P-C4'-P energy: -33.268 tors. eta vs tors. theta energy: 7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1252.273771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.273771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.273771 (E_RNA) where: Base-Base interactions energy: -884.287 where: short stacking energy: -350.413 Base-Backbone interact. energy: -2.815 local terms energy: -365.171345 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -80.378 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -103.250 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: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1168.509048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.509048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.509048 (E_RNA) where: Base-Base interactions energy: -791.884 where: short stacking energy: -326.189 Base-Backbone interact. energy: -1.344 local terms energy: -375.280882 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -78.301 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -94.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1177.498175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.498175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.498175 (E_RNA) where: Base-Base interactions energy: -807.765 where: short stacking energy: -342.311 Base-Backbone interact. energy: -1.761 local terms energy: -367.972014 where: bonds (distance) C4'-P energy: -74.669 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -79.533 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -104.077 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: 210 Temperature: 1.050000 Total energy: -1109.805325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.805325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.805325 (E_RNA) where: Base-Base interactions energy: -782.894 where: short stacking energy: -333.648 Base-Backbone interact. energy: -1.512 local terms energy: -325.399361 where: bonds (distance) C4'-P energy: -63.883 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -91.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -959.341621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.341621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.341621 (E_RNA) where: Base-Base interactions energy: -652.680 where: short stacking energy: -292.753 Base-Backbone interact. energy: 4.329 local terms energy: -310.990743 where: bonds (distance) C4'-P energy: -60.445 bonds (distance) P-C4' energy: -48.395 flat angles C4'-P-C4' energy: -70.768 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -84.372 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: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -835.447010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.447010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.447010 (E_RNA) where: Base-Base interactions energy: -553.103 where: short stacking energy: -234.486 Base-Backbone interact. energy: 0.157 local terms energy: -282.500657 where: bonds (distance) C4'-P energy: -56.079 bonds (distance) P-C4' energy: -65.219 flat angles C4'-P-C4' energy: -57.606 flat angles P-C4'-P energy: -51.010 tors. eta vs tors. theta energy: -52.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -781.862505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.862505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.862505 (E_RNA) where: Base-Base interactions energy: -490.274 where: short stacking energy: -222.900 Base-Backbone interact. energy: -2.014 local terms energy: -289.575007 where: bonds (distance) C4'-P energy: -56.330 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -59.573 flat angles P-C4'-P energy: -40.240 tors. eta vs tors. theta energy: -60.823 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: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -577.893458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.893458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.893458 (E_RNA) where: Base-Base interactions energy: -337.029 where: short stacking energy: -172.637 Base-Backbone interact. energy: 1.137 local terms energy: -242.000687 where: bonds (distance) C4'-P energy: -50.303 bonds (distance) P-C4' energy: -64.995 flat angles C4'-P-C4' energy: -63.017 flat angles P-C4'-P energy: -34.666 tors. eta vs tors. theta energy: -29.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -309.196011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.196011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.196011 (E_RNA) where: Base-Base interactions energy: -91.308 where: short stacking energy: -84.245 Base-Backbone interact. energy: -0.207 local terms energy: -217.681519 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -42.887 flat angles P-C4'-P energy: -50.458 tors. eta vs tors. theta energy: 7.220 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: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -338.352428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.352428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.352428 (E_RNA) where: Base-Base interactions energy: -139.761 where: short stacking energy: -89.874 Base-Backbone interact. energy: 0.659 local terms energy: -199.250527 where: bonds (distance) C4'-P energy: -63.628 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -56.714 flat angles P-C4'-P energy: -29.112 tors. eta vs tors. theta energy: 12.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1259.827245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.827245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.827245 (E_RNA) where: Base-Base interactions energy: -876.116 where: short stacking energy: -339.191 Base-Backbone interact. energy: -2.791 local terms energy: -380.920487 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -69.033 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -53.496 tors. eta vs tors. theta energy: -105.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1198.427016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.427016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.427016 (E_RNA) where: Base-Base interactions energy: -808.956 where: short stacking energy: -331.785 Base-Backbone interact. energy: -1.276 local terms energy: -388.195237 where: bonds (distance) C4'-P energy: -70.780 bonds (distance) P-C4' energy: -77.357 flat angles C4'-P-C4' energy: -83.587 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -105.894 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: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1144.180470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.180470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.180470 (E_RNA) where: Base-Base interactions energy: -766.163 where: short stacking energy: -302.892 Base-Backbone interact. energy: -2.210 local terms energy: -375.806719 where: bonds (distance) C4'-P energy: -72.585 bonds (distance) P-C4' energy: -75.106 flat angles C4'-P-C4' energy: -77.309 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -95.099 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: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1093.649210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.649210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.649210 (E_RNA) where: Base-Base interactions energy: -749.722 where: short stacking energy: -307.055 Base-Backbone interact. energy: -1.546 local terms energy: -342.381314 where: bonds (distance) C4'-P energy: -64.188 bonds (distance) P-C4' energy: -62.213 flat angles C4'-P-C4' energy: -81.038 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -81.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -941.342492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.342492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.342492 (E_RNA) where: Base-Base interactions energy: -625.220 where: short stacking energy: -274.461 Base-Backbone interact. energy: -1.454 local terms energy: -314.667653 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -74.521 flat angles C4'-P-C4' energy: -62.023 flat angles P-C4'-P energy: -51.809 tors. eta vs tors. theta energy: -68.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -806.830764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.830764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.830764 (E_RNA) where: Base-Base interactions energy: -525.139 where: short stacking energy: -220.205 Base-Backbone interact. energy: -0.411 local terms energy: -281.281022 where: bonds (distance) C4'-P energy: -66.064 bonds (distance) P-C4' energy: -61.478 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -34.454 tors. eta vs tors. theta energy: -49.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -813.411090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.411090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.411090 (E_RNA) where: Base-Base interactions energy: -519.126 where: short stacking energy: -214.482 Base-Backbone interact. energy: 0.831 local terms energy: -295.116276 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -45.949 tors. eta vs tors. theta energy: -54.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -580.928056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.928056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.928056 (E_RNA) where: Base-Base interactions energy: -332.587 where: short stacking energy: -149.289 Base-Backbone interact. energy: -0.101 local terms energy: -248.239431 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -60.377 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -325.618029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.618029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.618029 (E_RNA) where: Base-Base interactions energy: -126.466 where: short stacking energy: -111.716 Base-Backbone interact. energy: -1.078 local terms energy: -198.073938 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -50.713 flat angles P-C4'-P energy: -35.713 tors. eta vs tors. theta energy: 4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -381.789464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.789464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.789464 (E_RNA) where: Base-Base interactions energy: -179.700 where: short stacking energy: -95.025 Base-Backbone interact. energy: -0.841 local terms energy: -201.248428 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -60.880 flat angles C4'-P-C4' energy: -49.162 flat angles P-C4'-P energy: -41.488 tors. eta vs tors. theta energy: 11.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1261.237127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.237127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.237127 (E_RNA) where: Base-Base interactions energy: -893.220 where: short stacking energy: -338.158 Base-Backbone interact. energy: 1.333 local terms energy: -369.349389 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -83.065 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -105.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1199.624976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.624976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.624976 (E_RNA) where: Base-Base interactions energy: -810.933 where: short stacking energy: -334.738 Base-Backbone interact. energy: -2.231 local terms energy: -386.461228 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -77.930 flat angles C4'-P-C4' energy: -83.992 flat angles P-C4'-P energy: -52.531 tors. eta vs tors. theta energy: -101.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1120.900854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.900854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.900854 (E_RNA) where: Base-Base interactions energy: -752.855 where: short stacking energy: -305.101 Base-Backbone interact. energy: -1.229 local terms energy: -366.816693 where: bonds (distance) C4'-P energy: -74.526 bonds (distance) P-C4' energy: -63.337 flat angles C4'-P-C4' energy: -80.695 flat angles P-C4'-P energy: -52.855 tors. eta vs tors. theta energy: -95.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1088.500081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.500081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.500081 (E_RNA) where: Base-Base interactions energy: -750.304 where: short stacking energy: -289.553 Base-Backbone interact. energy: 0.262 local terms energy: -338.458070 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -79.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -912.533321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.533321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.533321 (E_RNA) where: Base-Base interactions energy: -610.908 where: short stacking energy: -259.536 Base-Backbone interact. energy: -0.214 local terms energy: -301.411504 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -65.312 flat angles P-C4'-P energy: -41.251 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: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -805.467591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.467591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.467591 (E_RNA) where: Base-Base interactions energy: -501.987 where: short stacking energy: -223.885 Base-Backbone interact. energy: 0.028 local terms energy: -303.507931 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -61.579 flat angles C4'-P-C4' energy: -60.479 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -62.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -766.775524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.775524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.775524 (E_RNA) where: Base-Base interactions energy: -493.124 where: short stacking energy: -193.383 Base-Backbone interact. energy: -0.876 local terms energy: -272.776049 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -54.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -542.979481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.979481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.979481 (E_RNA) where: Base-Base interactions energy: -313.812 where: short stacking energy: -162.573 Base-Backbone interact. energy: 2.377 local terms energy: -231.544352 where: bonds (distance) C4'-P energy: -56.837 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -49.379 flat angles P-C4'-P energy: -37.202 tors. eta vs tors. theta energy: -28.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -382.688881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.688881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.688881 (E_RNA) where: Base-Base interactions energy: -189.698 where: short stacking energy: -108.219 Base-Backbone interact. energy: 5.764 local terms energy: -198.754896 where: bonds (distance) C4'-P energy: -56.021 bonds (distance) P-C4' energy: -69.865 flat angles C4'-P-C4' energy: -49.555 flat angles P-C4'-P energy: -37.464 tors. eta vs tors. theta energy: 14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -297.607540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.607540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.607540 (E_RNA) where: Base-Base interactions energy: -106.071 where: short stacking energy: -87.262 Base-Backbone interact. energy: 0.677 local terms energy: -192.213836 where: bonds (distance) C4'-P energy: -60.859 bonds (distance) P-C4' energy: -66.191 flat angles C4'-P-C4' energy: -46.912 flat angles P-C4'-P energy: -25.357 tors. eta vs tors. theta energy: 7.105 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1273.221349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.221349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.221349 (E_RNA) where: Base-Base interactions energy: -884.279 where: short stacking energy: -342.305 Base-Backbone interact. energy: -1.697 local terms energy: -387.245387 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -50.716 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: 2, replica: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1199.385664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.385664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.385664 (E_RNA) where: Base-Base interactions energy: -815.615 where: short stacking energy: -338.379 Base-Backbone interact. energy: -3.099 local terms energy: -380.672357 where: bonds (distance) C4'-P energy: -70.207 bonds (distance) P-C4' energy: -74.344 flat angles C4'-P-C4' energy: -86.501 flat angles P-C4'-P energy: -49.122 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: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1133.214710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.214710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.214710 (E_RNA) where: Base-Base interactions energy: -778.299 where: short stacking energy: -331.671 Base-Backbone interact. energy: -1.981 local terms energy: -352.934987 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -92.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1135.353482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.353482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.353482 (E_RNA) where: Base-Base interactions energy: -802.794 where: short stacking energy: -313.361 Base-Backbone interact. energy: -2.147 local terms energy: -330.412819 where: bonds (distance) C4'-P energy: -64.427 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -92.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -906.490621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.490621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.490621 (E_RNA) where: Base-Base interactions energy: -592.814 where: short stacking energy: -239.789 Base-Backbone interact. energy: 0.226 local terms energy: -313.902739 where: bonds (distance) C4'-P energy: -66.918 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -65.369 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -61.043 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: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -814.803312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.803312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.803312 (E_RNA) where: Base-Base interactions energy: -529.796 where: short stacking energy: -250.318 Base-Backbone interact. energy: -1.344 local terms energy: -283.662717 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -61.980 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -30.693 tors. eta vs tors. theta energy: -62.607 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: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -699.072037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.072037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.072037 (E_RNA) where: Base-Base interactions energy: -459.182 where: short stacking energy: -186.079 Base-Backbone interact. energy: -3.161 local terms energy: -236.729189 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -51.753 flat angles P-C4'-P energy: -30.141 tors. eta vs tors. theta energy: -30.799 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: 213 Temperature: 1.250000 Total energy: -546.917277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.917277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.917277 (E_RNA) where: Base-Base interactions energy: -298.997 where: short stacking energy: -160.744 Base-Backbone interact. energy: -1.381 local terms energy: -246.539178 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -71.985 flat angles P-C4'-P energy: -31.072 tors. eta vs tors. theta energy: -24.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -363.413414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.413414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.413414 (E_RNA) where: Base-Base interactions energy: -159.436 where: short stacking energy: -111.459 Base-Backbone interact. energy: -0.521 local terms energy: -203.456516 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -47.727 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: 0.385 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: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -281.349499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.349499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.349499 (E_RNA) where: Base-Base interactions energy: -101.548 where: short stacking energy: -65.518 Base-Backbone interact. energy: -1.043 local terms energy: -178.758979 where: bonds (distance) C4'-P energy: -47.924 bonds (distance) P-C4' energy: -69.965 flat angles C4'-P-C4' energy: -46.519 flat angles P-C4'-P energy: -34.480 tors. eta vs tors. theta energy: 20.129 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1251.264817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.264817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.264817 (E_RNA) where: Base-Base interactions energy: -887.573 where: short stacking energy: -350.198 Base-Backbone interact. energy: 4.100 local terms energy: -367.791790 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -106.757 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: 214 Temperature: 0.950000 Total energy: -1197.593407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.593407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.593407 (E_RNA) where: Base-Base interactions energy: -818.223 where: short stacking energy: -354.789 Base-Backbone interact. energy: -0.874 local terms energy: -378.495903 where: bonds (distance) C4'-P energy: -63.830 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -77.424 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -105.178 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: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1168.213672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.213672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.213672 (E_RNA) where: Base-Base interactions energy: -804.744 where: short stacking energy: -323.340 Base-Backbone interact. energy: 2.891 local terms energy: -366.360094 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -75.852 flat angles C4'-P-C4' energy: -80.462 flat angles P-C4'-P energy: -56.008 tors. eta vs tors. theta energy: -95.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1143.003810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.003810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.003810 (E_RNA) where: Base-Base interactions energy: -774.351 where: short stacking energy: -323.860 Base-Backbone interact. energy: -0.501 local terms energy: -368.151214 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -77.923 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -44.656 tors. eta vs tors. theta energy: -95.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -937.936772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.936772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.936772 (E_RNA) where: Base-Base interactions energy: -627.505 where: short stacking energy: -271.894 Base-Backbone interact. energy: 1.835 local terms energy: -312.267495 where: bonds (distance) C4'-P energy: -49.779 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -71.039 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -77.821 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: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -806.373583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.373583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.373583 (E_RNA) where: Base-Base interactions energy: -523.540 where: short stacking energy: -235.038 Base-Backbone interact. energy: -2.037 local terms energy: -280.796815 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -60.502 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -43.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -761.344211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.344211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.344211 (E_RNA) where: Base-Base interactions energy: -470.592 where: short stacking energy: -203.139 Base-Backbone interact. energy: 1.051 local terms energy: -291.802745 where: bonds (distance) C4'-P energy: -56.298 bonds (distance) P-C4' energy: -65.526 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -52.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -524.891281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.891281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.891281 (E_RNA) where: Base-Base interactions energy: -290.039 where: short stacking energy: -129.407 Base-Backbone interact. energy: 2.346 local terms energy: -237.197873 where: bonds (distance) C4'-P energy: -54.896 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -67.431 flat angles P-C4'-P energy: -44.879 tors. eta vs tors. theta energy: -10.798 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: 214 Temperature: 1.300000 Total energy: -357.170704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.170704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.170704 (E_RNA) where: Base-Base interactions energy: -157.500 where: short stacking energy: -103.677 Base-Backbone interact. energy: 3.033 local terms energy: -202.703302 where: bonds (distance) C4'-P energy: -49.570 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -55.645 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -279.939398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.939398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.939398 (E_RNA) where: Base-Base interactions energy: -92.236 where: short stacking energy: -71.318 Base-Backbone interact. energy: -0.434 local terms energy: -187.269035 where: bonds (distance) C4'-P energy: -44.598 bonds (distance) P-C4' energy: -79.245 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -24.611 tors. eta vs tors. theta energy: 13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1257.580286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.580286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.580286 (E_RNA) where: Base-Base interactions energy: -876.552 where: short stacking energy: -334.041 Base-Backbone interact. energy: -1.107 local terms energy: -379.920962 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -51.107 tors. eta vs tors. theta energy: -100.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1197.905603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.905603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.905603 (E_RNA) where: Base-Base interactions energy: -811.807 where: short stacking energy: -352.710 Base-Backbone interact. energy: -1.084 local terms energy: -385.014380 where: bonds (distance) C4'-P energy: -68.908 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -88.788 flat angles P-C4'-P energy: -53.514 tors. eta vs tors. theta energy: -109.735 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: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1155.058695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.058695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.058695 (E_RNA) where: Base-Base interactions energy: -800.766 where: short stacking energy: -329.449 Base-Backbone interact. energy: 1.951 local terms energy: -356.242955 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -75.660 flat angles P-C4'-P energy: -48.778 tors. eta vs tors. theta energy: -95.580 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: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1116.334247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.334247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.334247 (E_RNA) where: Base-Base interactions energy: -758.208 where: short stacking energy: -327.502 Base-Backbone interact. energy: 1.546 local terms energy: -359.672249 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -80.075 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -92.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -927.384400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.384400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.384400 (E_RNA) where: Base-Base interactions energy: -614.871 where: short stacking energy: -271.145 Base-Backbone interact. energy: -0.850 local terms energy: -311.663694 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -82.162 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -71.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -788.208864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.208864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.208864 (E_RNA) where: Base-Base interactions energy: -505.016 where: short stacking energy: -212.321 Base-Backbone interact. energy: 1.427 local terms energy: -284.620051 where: bonds (distance) C4'-P energy: -66.200 bonds (distance) P-C4' energy: -61.607 flat angles C4'-P-C4' energy: -64.576 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -51.224 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: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -765.884042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.884042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.884042 (E_RNA) where: Base-Base interactions energy: -479.388 where: short stacking energy: -207.866 Base-Backbone interact. energy: 0.001 local terms energy: -286.496822 where: bonds (distance) C4'-P energy: -75.676 bonds (distance) P-C4' energy: -64.495 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -36.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -499.222705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.222705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.222705 (E_RNA) where: Base-Base interactions energy: -246.719 where: short stacking energy: -137.954 Base-Backbone interact. energy: -1.166 local terms energy: -251.337732 where: bonds (distance) C4'-P energy: -65.835 bonds (distance) P-C4' energy: -75.882 flat angles C4'-P-C4' energy: -46.886 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -25.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -373.390158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.390158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.390158 (E_RNA) where: Base-Base interactions energy: -132.573 where: short stacking energy: -78.649 Base-Backbone interact. energy: -1.181 local terms energy: -239.636391 where: bonds (distance) C4'-P energy: -67.195 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -51.539 flat angles P-C4'-P energy: -40.823 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -321.835568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.835568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.835568 (E_RNA) where: Base-Base interactions energy: -123.022 where: short stacking energy: -109.380 Base-Backbone interact. energy: 1.003 local terms energy: -199.817535 where: bonds (distance) C4'-P energy: -57.014 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -49.604 flat angles P-C4'-P energy: -32.403 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: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1237.754901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.754901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.754901 (E_RNA) where: Base-Base interactions energy: -870.248 where: short stacking energy: -337.653 Base-Backbone interact. energy: -0.629 local terms energy: -366.877671 where: bonds (distance) C4'-P energy: -69.572 bonds (distance) P-C4' energy: -79.262 flat angles C4'-P-C4' energy: -78.013 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -90.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1190.651822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.651822 (E_RNA) where: Base-Base interactions energy: -795.261 where: short stacking energy: -358.308 Base-Backbone interact. energy: -2.885 local terms energy: -392.505275 where: bonds (distance) C4'-P energy: -66.388 bonds (distance) P-C4' energy: -73.888 flat angles C4'-P-C4' energy: -80.956 flat angles P-C4'-P energy: -58.243 tors. eta vs tors. theta energy: -113.029 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: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1164.379476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.379476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.379476 (E_RNA) where: Base-Base interactions energy: -800.730 where: short stacking energy: -305.392 Base-Backbone interact. energy: -1.732 local terms energy: -361.917401 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -73.319 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -89.939 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: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1115.588914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.588914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.588914 (E_RNA) where: Base-Base interactions energy: -771.456 where: short stacking energy: -311.453 Base-Backbone interact. energy: 3.332 local terms energy: -347.464851 where: bonds (distance) C4'-P energy: -59.115 bonds (distance) P-C4' energy: -72.251 flat angles C4'-P-C4' energy: -77.545 flat angles P-C4'-P energy: -52.751 tors. eta vs tors. theta energy: -85.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -951.792955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.792955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.792955 (E_RNA) where: Base-Base interactions energy: -630.473 where: short stacking energy: -275.547 Base-Backbone interact. energy: -2.096 local terms energy: -319.223732 where: bonds (distance) C4'-P energy: -59.574 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -74.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -794.257739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.257739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.257739 (E_RNA) where: Base-Base interactions energy: -512.902 where: short stacking energy: -214.407 Base-Backbone interact. energy: -1.687 local terms energy: -279.668607 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -51.063 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -37.785 tors. eta vs tors. theta energy: -51.978 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: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -734.655717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.655717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.655717 (E_RNA) where: Base-Base interactions energy: -435.704 where: short stacking energy: -199.445 Base-Backbone interact. energy: -0.267 local terms energy: -298.684812 where: bonds (distance) C4'-P energy: -71.248 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -56.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -512.825779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.825779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.825779 (E_RNA) where: Base-Base interactions energy: -266.163 where: short stacking energy: -141.962 Base-Backbone interact. energy: 0.286 local terms energy: -246.948933 where: bonds (distance) C4'-P energy: -65.888 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -62.824 flat angles P-C4'-P energy: -36.878 tors. eta vs tors. theta energy: -12.926 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: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -366.954250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.954250 (E_RNA) where: Base-Base interactions energy: -171.319 where: short stacking energy: -98.179 Base-Backbone interact. energy: -1.235 local terms energy: -194.400219 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -56.317 flat angles C4'-P-C4' energy: -52.765 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: 4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -283.427656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.427656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.427656 (E_RNA) where: Base-Base interactions energy: -86.082 where: short stacking energy: -79.977 Base-Backbone interact. energy: -0.515 local terms energy: -196.831170 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -50.141 flat angles P-C4'-P energy: -31.689 tors. eta vs tors. theta energy: 10.743 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: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1269.939012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.939012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.939012 (E_RNA) where: Base-Base interactions energy: -906.977 where: short stacking energy: -354.197 Base-Backbone interact. energy: -2.553 local terms energy: -360.408885 where: bonds (distance) C4'-P energy: -65.144 bonds (distance) P-C4' energy: -73.751 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -49.194 tors. eta vs tors. theta energy: -101.086 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: 217 Temperature: 0.950000 Total energy: -1204.890934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.890934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.890934 (E_RNA) where: Base-Base interactions energy: -845.724 where: short stacking energy: -332.722 Base-Backbone interact. energy: -1.507 local terms energy: -357.659629 where: bonds (distance) C4'-P energy: -69.234 bonds (distance) P-C4' energy: -69.127 flat angles C4'-P-C4' energy: -80.386 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: -104.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1183.022200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.022200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.022200 (E_RNA) where: Base-Base interactions energy: -809.651 where: short stacking energy: -335.094 Base-Backbone interact. energy: 2.009 local terms energy: -375.380089 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -62.478 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -106.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1156.615964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.615964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.615964 (E_RNA) where: Base-Base interactions energy: -796.929 where: short stacking energy: -340.431 Base-Backbone interact. energy: 0.219 local terms energy: -359.906109 where: bonds (distance) C4'-P energy: -63.346 bonds (distance) P-C4' energy: -66.378 flat angles C4'-P-C4' energy: -71.823 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -106.868 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: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -954.317889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.317889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.317889 (E_RNA) where: Base-Base interactions energy: -625.062 where: short stacking energy: -282.489 Base-Backbone interact. energy: -2.139 local terms energy: -327.116974 where: bonds (distance) C4'-P energy: -63.920 bonds (distance) P-C4' energy: -74.470 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -37.623 tors. eta vs tors. theta energy: -78.852 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: 217 Temperature: 1.150000 Total energy: -769.715317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.715317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.715317 (E_RNA) where: Base-Base interactions energy: -468.064 where: short stacking energy: -209.428 Base-Backbone interact. energy: -2.390 local terms energy: -299.262062 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -69.854 flat angles P-C4'-P energy: -41.177 tors. eta vs tors. theta energy: -49.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -745.902205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.902205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.902205 (E_RNA) where: Base-Base interactions energy: -456.169 where: short stacking energy: -198.512 Base-Backbone interact. energy: -0.459 local terms energy: -289.274678 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -64.413 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -43.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -486.076747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.076747 (E_RNA) where: Base-Base interactions energy: -253.986 where: short stacking energy: -127.174 Base-Backbone interact. energy: 3.546 local terms energy: -235.636089 where: bonds (distance) C4'-P energy: -63.387 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -52.512 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -17.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -390.043037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.043037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.043037 (E_RNA) where: Base-Base interactions energy: -188.302 where: short stacking energy: -124.636 Base-Backbone interact. energy: 4.764 local terms energy: -206.504982 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -55.295 flat angles C4'-P-C4' energy: -55.959 flat angles P-C4'-P energy: -34.299 tors. eta vs tors. theta energy: -5.507 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: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -267.113177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.113177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.113177 (E_RNA) where: Base-Base interactions energy: -84.003 where: short stacking energy: -77.164 Base-Backbone interact. energy: 1.830 local terms energy: -184.940091 where: bonds (distance) C4'-P energy: -51.556 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -53.199 flat angles P-C4'-P energy: -30.329 tors. eta vs tors. theta energy: 12.642 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: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1247.476888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.476888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.476888 (E_RNA) where: Base-Base interactions energy: -863.578 where: short stacking energy: -330.508 Base-Backbone interact. energy: 0.080 local terms energy: -383.978589 where: bonds (distance) C4'-P energy: -72.999 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -54.528 tors. eta vs tors. theta energy: -104.919 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: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1178.040683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.040683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.040683 (E_RNA) where: Base-Base interactions energy: -805.518 where: short stacking energy: -318.298 Base-Backbone interact. energy: -0.596 local terms energy: -371.927282 where: bonds (distance) C4'-P energy: -72.828 bonds (distance) P-C4' energy: -71.279 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -53.343 tors. eta vs tors. theta energy: -93.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1176.176662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.176662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.176662 (E_RNA) where: Base-Base interactions energy: -807.507 where: short stacking energy: -343.765 Base-Backbone interact. energy: 0.959 local terms energy: -369.629092 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -79.532 flat angles P-C4'-P energy: -55.835 tors. eta vs tors. theta energy: -98.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1106.098400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.098400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.098400 (E_RNA) where: Base-Base interactions energy: -754.190 where: short stacking energy: -324.413 Base-Backbone interact. energy: -1.267 local terms energy: -350.640839 where: bonds (distance) C4'-P energy: -63.651 bonds (distance) P-C4' energy: -69.842 flat angles C4'-P-C4' energy: -75.593 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -90.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -936.250046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.250046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.250046 (E_RNA) where: Base-Base interactions energy: -614.886 where: short stacking energy: -284.071 Base-Backbone interact. energy: 1.105 local terms energy: -322.469350 where: bonds (distance) C4'-P energy: -69.825 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -65.531 flat angles P-C4'-P energy: -42.910 tors. eta vs tors. theta energy: -75.395 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: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -789.576407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.576407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.576407 (E_RNA) where: Base-Base interactions energy: -485.049 where: short stacking energy: -230.290 Base-Backbone interact. energy: -1.804 local terms energy: -302.723431 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -66.966 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -60.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -683.062840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.062840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.062840 (E_RNA) where: Base-Base interactions energy: -395.926 where: short stacking energy: -170.666 Base-Backbone interact. energy: 2.243 local terms energy: -289.379871 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -70.028 flat angles C4'-P-C4' energy: -60.160 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -43.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -486.103838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.103838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.103838 (E_RNA) where: Base-Base interactions energy: -239.535 where: short stacking energy: -130.771 Base-Backbone interact. energy: -0.718 local terms energy: -245.851309 where: bonds (distance) C4'-P energy: -72.371 bonds (distance) P-C4' energy: -74.922 flat angles C4'-P-C4' energy: -42.323 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -15.841 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: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -313.224753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.224753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.224753 (E_RNA) where: Base-Base interactions energy: -108.020 where: short stacking energy: -95.748 Base-Backbone interact. energy: -1.767 local terms energy: -203.437557 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -33.719 flat angles P-C4'-P energy: -30.544 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: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -369.973109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.973109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.973109 (E_RNA) where: Base-Base interactions energy: -153.511 where: short stacking energy: -98.419 Base-Backbone interact. energy: -0.927 local terms energy: -215.535059 where: bonds (distance) C4'-P energy: -64.629 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -52.237 flat angles P-C4'-P energy: -40.972 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1254.579457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.579457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.579457 (E_RNA) where: Base-Base interactions energy: -905.419 where: short stacking energy: -348.820 Base-Backbone interact. energy: -2.260 local terms energy: -346.900066 where: bonds (distance) C4'-P energy: -58.991 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -77.021 flat angles P-C4'-P energy: -48.124 tors. eta vs tors. theta energy: -94.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1196.886905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.886905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.886905 (E_RNA) where: Base-Base interactions energy: -830.805 where: short stacking energy: -325.624 Base-Backbone interact. energy: 1.876 local terms energy: -367.957884 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -81.193 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: -98.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1155.632828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.632828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.632828 (E_RNA) where: Base-Base interactions energy: -790.400 where: short stacking energy: -315.332 Base-Backbone interact. energy: -1.687 local terms energy: -363.545890 where: bonds (distance) C4'-P energy: -62.532 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -76.171 flat angles P-C4'-P energy: -48.812 tors. eta vs tors. theta energy: -96.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1062.763020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.763020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.763020 (E_RNA) where: Base-Base interactions energy: -704.257 where: short stacking energy: -297.197 Base-Backbone interact. energy: -3.132 local terms energy: -355.373872 where: bonds (distance) C4'-P energy: -72.380 bonds (distance) P-C4' energy: -69.101 flat angles C4'-P-C4' energy: -79.105 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -85.006 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: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -985.543268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.543268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.543268 (E_RNA) where: Base-Base interactions energy: -635.406 where: short stacking energy: -283.405 Base-Backbone interact. energy: -2.098 local terms energy: -348.038572 where: bonds (distance) C4'-P energy: -65.917 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -81.562 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: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -704.145570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.145570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.145570 (E_RNA) where: Base-Base interactions energy: -430.765 where: short stacking energy: -184.193 Base-Backbone interact. energy: 0.356 local terms energy: -273.736456 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -64.905 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: -27.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -727.106839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.106839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.106839 (E_RNA) where: Base-Base interactions energy: -444.597 where: short stacking energy: -217.935 Base-Backbone interact. energy: -0.795 local terms energy: -281.713975 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -58.376 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -60.049 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: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -505.883698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.883698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.883698 (E_RNA) where: Base-Base interactions energy: -278.936 where: short stacking energy: -133.156 Base-Backbone interact. energy: -1.130 local terms energy: -225.817029 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -48.515 flat angles P-C4'-P energy: -36.800 tors. eta vs tors. theta energy: -16.339 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: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -317.207479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.207479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.207479 (E_RNA) where: Base-Base interactions energy: -111.083 where: short stacking energy: -100.164 Base-Backbone interact. energy: 5.723 local terms energy: -211.847436 where: bonds (distance) C4'-P energy: -57.721 bonds (distance) P-C4' energy: -57.920 flat angles C4'-P-C4' energy: -44.128 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -5.824 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: 219 Temperature: 1.350000 Total energy: -345.724839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.724839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.724839 (E_RNA) where: Base-Base interactions energy: -164.351 where: short stacking energy: -95.560 Base-Backbone interact. energy: -0.837 local terms energy: -180.536266 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -60.131 flat angles P-C4'-P energy: -24.825 tors. eta vs tors. theta energy: 14.450 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: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1261.751150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.751150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.751150 (E_RNA) where: Base-Base interactions energy: -901.477 where: short stacking energy: -343.887 Base-Backbone interact. energy: 0.272 local terms energy: -360.546100 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -79.192 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -90.797 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: 220 Temperature: 0.950000 Total energy: -1183.049105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.049105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.049105 (E_RNA) where: Base-Base interactions energy: -804.355 where: short stacking energy: -341.594 Base-Backbone interact. energy: -2.073 local terms energy: -376.621298 where: bonds (distance) C4'-P energy: -74.206 bonds (distance) P-C4' energy: -72.463 flat angles C4'-P-C4' energy: -79.426 flat angles P-C4'-P energy: -49.799 tors. eta vs tors. theta energy: -100.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1177.334233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.334233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.334233 (E_RNA) where: Base-Base interactions energy: -831.922 where: short stacking energy: -327.553 Base-Backbone interact. energy: -3.835 local terms energy: -341.577234 where: bonds (distance) C4'-P energy: -68.643 bonds (distance) P-C4' energy: -52.629 flat angles C4'-P-C4' energy: -75.520 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -93.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1059.558979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.558979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.558979 (E_RNA) where: Base-Base interactions energy: -717.289 where: short stacking energy: -313.991 Base-Backbone interact. energy: -0.454 local terms energy: -341.816338 where: bonds (distance) C4'-P energy: -70.230 bonds (distance) P-C4' energy: -61.670 flat angles C4'-P-C4' energy: -79.556 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -87.679 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: 10 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -974.069443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.069443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.069443 (E_RNA) where: Base-Base interactions energy: -644.068 where: short stacking energy: -294.838 Base-Backbone interact. energy: -0.410 local terms energy: -329.591463 where: bonds (distance) C4'-P energy: -56.914 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -48.014 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: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -742.370282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.370282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.370282 (E_RNA) where: Base-Base interactions energy: -470.449 where: short stacking energy: -206.813 Base-Backbone interact. energy: -0.816 local terms energy: -271.105900 where: bonds (distance) C4'-P energy: -57.222 bonds (distance) P-C4' energy: -63.300 flat angles C4'-P-C4' energy: -69.658 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -45.584 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: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -702.140159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.140159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.140159 (E_RNA) where: Base-Base interactions energy: -434.101 where: short stacking energy: -216.433 Base-Backbone interact. energy: -1.152 local terms energy: -266.887700 where: bonds (distance) C4'-P energy: -51.102 bonds (distance) P-C4' energy: -71.181 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -44.888 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: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -534.341903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.341903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.341903 (E_RNA) where: Base-Base interactions energy: -281.929 where: short stacking energy: -149.789 Base-Backbone interact. energy: -1.351 local terms energy: -251.062185 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -58.804 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -43.247 tors. eta vs tors. theta energy: -19.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -415.301564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.301564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.301564 (E_RNA) where: Base-Base interactions energy: -188.023 where: short stacking energy: -113.155 Base-Backbone interact. energy: -0.505 local terms energy: -226.773109 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -62.817 flat angles P-C4'-P energy: -35.466 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -303.481745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.481745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.481745 (E_RNA) where: Base-Base interactions energy: -83.882 where: short stacking energy: -68.051 Base-Backbone interact. energy: -1.999 local terms energy: -217.600281 where: bonds (distance) C4'-P energy: -50.244 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -55.385 flat angles P-C4'-P energy: -41.759 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: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1274.919121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.919121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.919121 (E_RNA) where: Base-Base interactions energy: -900.068 where: short stacking energy: -346.801 Base-Backbone interact. energy: -2.865 local terms energy: -371.986171 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -75.646 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -53.190 tors. eta vs tors. theta energy: -95.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1185.049296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.049296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.049296 (E_RNA) where: Base-Base interactions energy: -808.063 where: short stacking energy: -326.805 Base-Backbone interact. energy: -1.694 local terms energy: -375.292629 where: bonds (distance) C4'-P energy: -69.470 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -82.813 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -95.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1159.309242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.309242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.309242 (E_RNA) where: Base-Base interactions energy: -814.214 where: short stacking energy: -327.562 Base-Backbone interact. energy: -3.299 local terms energy: -341.795770 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -47.199 tors. eta vs tors. theta energy: -90.253 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: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1069.447511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.447511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.447511 (E_RNA) where: Base-Base interactions energy: -738.289 where: short stacking energy: -331.505 Base-Backbone interact. energy: -0.236 local terms energy: -330.923230 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -61.662 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -94.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -944.634289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.634289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.634289 (E_RNA) where: Base-Base interactions energy: -625.787 where: short stacking energy: -273.662 Base-Backbone interact. energy: 2.089 local terms energy: -320.936640 where: bonds (distance) C4'-P energy: -61.789 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -73.816 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -76.134 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: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -731.733474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.733474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.733474 (E_RNA) where: Base-Base interactions energy: -442.505 where: short stacking energy: -194.636 Base-Backbone interact. energy: -0.628 local terms energy: -288.600694 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -42.459 tors. eta vs tors. theta energy: -48.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -658.134468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.134468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.134468 (E_RNA) where: Base-Base interactions energy: -395.271 where: short stacking energy: -210.543 Base-Backbone interact. energy: -2.240 local terms energy: -260.623285 where: bonds (distance) C4'-P energy: -51.960 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -25.088 tors. eta vs tors. theta energy: -46.626 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: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -516.256416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.256416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.256416 (E_RNA) where: Base-Base interactions energy: -280.810 where: short stacking energy: -152.136 Base-Backbone interact. energy: 1.977 local terms energy: -237.422555 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -62.889 flat angles C4'-P-C4' energy: -62.409 flat angles P-C4'-P energy: -29.854 tors. eta vs tors. theta energy: -23.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -389.021232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.021232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.021232 (E_RNA) where: Base-Base interactions energy: -165.828 where: short stacking energy: -87.645 Base-Backbone interact. energy: 4.952 local terms energy: -228.144801 where: bonds (distance) C4'-P energy: -67.566 bonds (distance) P-C4' energy: -69.781 flat angles C4'-P-C4' energy: -52.686 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -289.377964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.377964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.377964 (E_RNA) where: Base-Base interactions energy: -105.664 where: short stacking energy: -97.608 Base-Backbone interact. energy: 1.345 local terms energy: -185.059407 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -63.160 flat angles C4'-P-C4' energy: -38.464 flat angles P-C4'-P energy: -40.791 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: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1251.313450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.313450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.313450 (E_RNA) where: Base-Base interactions energy: -890.827 where: short stacking energy: -347.217 Base-Backbone interact. energy: 0.474 local terms energy: -360.960325 where: bonds (distance) C4'-P energy: -72.464 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -78.084 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -95.076 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: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1195.299690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.299690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.299690 (E_RNA) where: Base-Base interactions energy: -823.376 where: short stacking energy: -353.833 Base-Backbone interact. energy: 2.102 local terms energy: -374.024821 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -78.384 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -102.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1153.705745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.705745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.705745 (E_RNA) where: Base-Base interactions energy: -805.778 where: short stacking energy: -310.480 Base-Backbone interact. energy: -4.037 local terms energy: -343.890348 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -73.921 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -44.621 tors. eta vs tors. theta energy: -92.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1084.474038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.474038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.474038 (E_RNA) where: Base-Base interactions energy: -721.790 where: short stacking energy: -315.509 Base-Backbone interact. energy: -2.339 local terms energy: -360.344822 where: bonds (distance) C4'-P energy: -64.160 bonds (distance) P-C4' energy: -73.883 flat angles C4'-P-C4' energy: -75.903 flat angles P-C4'-P energy: -55.746 tors. eta vs tors. theta energy: -90.653 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: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -924.373693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.373693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.373693 (E_RNA) where: Base-Base interactions energy: -628.990 where: short stacking energy: -266.688 Base-Backbone interact. energy: -0.657 local terms energy: -294.726253 where: bonds (distance) C4'-P energy: -47.715 bonds (distance) P-C4' energy: -62.416 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -41.242 tors. eta vs tors. theta energy: -66.739 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: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -736.643908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.643908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.643908 (E_RNA) where: Base-Base interactions energy: -439.590 where: short stacking energy: -206.735 Base-Backbone interact. energy: -1.094 local terms energy: -295.959804 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -78.278 flat angles C4'-P-C4' energy: -67.068 flat angles P-C4'-P energy: -32.249 tors. eta vs tors. theta energy: -49.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -681.710011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.710011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.710011 (E_RNA) where: Base-Base interactions energy: -419.610 where: short stacking energy: -196.201 Base-Backbone interact. energy: 0.022 local terms energy: -262.122157 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -59.389 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -31.186 tors. eta vs tors. theta energy: -42.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -505.942812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.942812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.942812 (E_RNA) where: Base-Base interactions energy: -268.877 where: short stacking energy: -146.288 Base-Backbone interact. energy: 0.245 local terms energy: -237.310578 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -52.214 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -28.159 tors. eta vs tors. theta energy: -31.508 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: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -431.661130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.661130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.661130 (E_RNA) where: Base-Base interactions energy: -200.126 where: short stacking energy: -113.465 Base-Backbone interact. energy: -1.526 local terms energy: -230.009217 where: bonds (distance) C4'-P energy: -62.936 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -58.033 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: 0.799 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: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -319.871500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.871500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.871500 (E_RNA) where: Base-Base interactions energy: -127.347 where: short stacking energy: -74.671 Base-Backbone interact. energy: 0.805 local terms energy: -193.328618 where: bonds (distance) C4'-P energy: -50.358 bonds (distance) P-C4' energy: -62.555 flat angles C4'-P-C4' energy: -53.958 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: 2.775 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: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1252.502367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.502367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.502367 (E_RNA) where: Base-Base interactions energy: -891.600 where: short stacking energy: -362.334 Base-Backbone interact. energy: 7.267 local terms energy: -368.169504 where: bonds (distance) C4'-P energy: -71.312 bonds (distance) P-C4' energy: -70.909 flat angles C4'-P-C4' energy: -78.221 flat angles P-C4'-P energy: -47.288 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: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1223.117072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.117072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.117072 (E_RNA) where: Base-Base interactions energy: -849.325 where: short stacking energy: -362.699 Base-Backbone interact. energy: -1.809 local terms energy: -371.982642 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -77.157 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -107.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1156.156119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.156119 (E_RNA) where: Base-Base interactions energy: -802.983 where: short stacking energy: -304.963 Base-Backbone interact. energy: -3.397 local terms energy: -349.776325 where: bonds (distance) C4'-P energy: -77.687 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -93.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1086.114436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.114436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.114436 (E_RNA) where: Base-Base interactions energy: -723.686 where: short stacking energy: -301.923 Base-Backbone interact. energy: -2.188 local terms energy: -360.240494 where: bonds (distance) C4'-P energy: -78.532 bonds (distance) P-C4' energy: -65.579 flat angles C4'-P-C4' energy: -75.062 flat angles P-C4'-P energy: -56.446 tors. eta vs tors. theta energy: -84.621 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: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -920.843602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.843602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.843602 (E_RNA) where: Base-Base interactions energy: -605.516 where: short stacking energy: -264.159 Base-Backbone interact. energy: -0.840 local terms energy: -314.487913 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -58.761 flat angles C4'-P-C4' energy: -71.051 flat angles P-C4'-P energy: -49.798 tors. eta vs tors. theta energy: -65.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -782.850739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.850739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.850739 (E_RNA) where: Base-Base interactions energy: -482.050 where: short stacking energy: -229.874 Base-Backbone interact. energy: -0.673 local terms energy: -300.127490 where: bonds (distance) C4'-P energy: -55.753 bonds (distance) P-C4' energy: -75.572 flat angles C4'-P-C4' energy: -65.450 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -55.938 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: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -712.128116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.128116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.128116 (E_RNA) where: Base-Base interactions energy: -473.418 where: short stacking energy: -194.301 Base-Backbone interact. energy: -3.333 local terms energy: -235.377385 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -65.284 flat angles P-C4'-P energy: -25.046 tors. eta vs tors. theta energy: -30.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -511.439666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.439666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.439666 (E_RNA) where: Base-Base interactions energy: -267.191 where: short stacking energy: -147.934 Base-Backbone interact. energy: -1.638 local terms energy: -242.610241 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -58.855 flat angles C4'-P-C4' energy: -60.230 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -16.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -363.767906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.767906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.767906 (E_RNA) where: Base-Base interactions energy: -180.423 where: short stacking energy: -102.277 Base-Backbone interact. energy: 1.024 local terms energy: -184.368601 where: bonds (distance) C4'-P energy: -61.400 bonds (distance) P-C4' energy: -50.328 flat angles C4'-P-C4' energy: -53.781 flat angles P-C4'-P energy: -19.130 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -339.056934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.056934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.056934 (E_RNA) where: Base-Base interactions energy: -142.621 where: short stacking energy: -87.658 Base-Backbone interact. energy: 1.884 local terms energy: -198.319777 where: bonds (distance) C4'-P energy: -67.909 bonds (distance) P-C4' energy: -59.323 flat angles C4'-P-C4' energy: -41.832 flat angles P-C4'-P energy: -31.658 tors. eta vs tors. theta energy: 2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1262.513276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.513276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.513276 (E_RNA) where: Base-Base interactions energy: -884.710 where: short stacking energy: -338.078 Base-Backbone interact. energy: -2.092 local terms energy: -375.710566 where: bonds (distance) C4'-P energy: -79.290 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -76.884 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -99.982 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: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1218.120268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.120268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.120268 (E_RNA) where: Base-Base interactions energy: -832.017 where: short stacking energy: -355.736 Base-Backbone interact. energy: 1.269 local terms energy: -387.372745 where: bonds (distance) C4'-P energy: -72.769 bonds (distance) P-C4' energy: -72.188 flat angles C4'-P-C4' energy: -80.362 flat angles P-C4'-P energy: -57.261 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1161.330968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.330968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.330968 (E_RNA) where: Base-Base interactions energy: -812.356 where: short stacking energy: -328.645 Base-Backbone interact. energy: -0.343 local terms energy: -348.631564 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -68.870 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -92.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1069.895544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.895544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.895544 (E_RNA) where: Base-Base interactions energy: -719.972 where: short stacking energy: -310.324 Base-Backbone interact. energy: -2.791 local terms energy: -347.132220 where: bonds (distance) C4'-P energy: -68.566 bonds (distance) P-C4' energy: -71.952 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -83.917 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: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -947.953234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.953234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.953234 (E_RNA) where: Base-Base interactions energy: -628.895 where: short stacking energy: -270.515 Base-Backbone interact. energy: -0.542 local terms energy: -318.516684 where: bonds (distance) C4'-P energy: -65.591 bonds (distance) P-C4' energy: -61.978 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -44.417 tors. eta vs tors. theta energy: -74.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -775.159959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.159959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.159959 (E_RNA) where: Base-Base interactions energy: -476.076 where: short stacking energy: -237.311 Base-Backbone interact. energy: -1.351 local terms energy: -297.732654 where: bonds (distance) C4'-P energy: -57.348 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -38.248 tors. eta vs tors. theta energy: -66.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -731.017397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.017397 (E_RNA) where: Base-Base interactions energy: -465.907 where: short stacking energy: -204.436 Base-Backbone interact. energy: -1.893 local terms energy: -263.216678 where: bonds (distance) C4'-P energy: -53.425 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -50.763 tors. eta vs tors. theta energy: -35.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -491.143643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.143643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.143643 (E_RNA) where: Base-Base interactions energy: -267.231 where: short stacking energy: -152.119 Base-Backbone interact. energy: 0.666 local terms energy: -224.578635 where: bonds (distance) C4'-P energy: -58.678 bonds (distance) P-C4' energy: -63.856 flat angles C4'-P-C4' energy: -56.091 flat angles P-C4'-P energy: -28.931 tors. eta vs tors. theta energy: -17.022 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: 224 Temperature: 1.300000 Total energy: -363.023258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.023258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.023258 (E_RNA) where: Base-Base interactions energy: -166.501 where: short stacking energy: -84.933 Base-Backbone interact. energy: -2.706 local terms energy: -193.816725 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -46.286 flat angles P-C4'-P energy: -33.657 tors. eta vs tors. theta energy: 13.278 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: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -347.095948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.095948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.095948 (E_RNA) where: Base-Base interactions energy: -157.339 where: short stacking energy: -94.528 Base-Backbone interact. energy: 0.124 local terms energy: -189.880622 where: bonds (distance) C4'-P energy: -53.305 bonds (distance) P-C4' energy: -65.954 flat angles C4'-P-C4' energy: -57.401 flat angles P-C4'-P energy: -21.386 tors. eta vs tors. theta energy: 8.166 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: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1265.614748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.614748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.614748 (E_RNA) where: Base-Base interactions energy: -874.843 where: short stacking energy: -345.034 Base-Backbone interact. energy: -2.612 local terms energy: -388.160328 where: bonds (distance) C4'-P energy: -72.919 bonds (distance) P-C4' energy: -75.922 flat angles C4'-P-C4' energy: -80.750 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: -103.545 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: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1212.330665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.330665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.330665 (E_RNA) where: Base-Base interactions energy: -836.716 where: short stacking energy: -357.392 Base-Backbone interact. energy: 2.143 local terms energy: -377.757316 where: bonds (distance) C4'-P energy: -62.459 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -57.500 tors. eta vs tors. theta energy: -106.285 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: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1176.405020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.405020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.405020 (E_RNA) where: Base-Base interactions energy: -795.076 where: short stacking energy: -318.214 Base-Backbone interact. energy: -3.039 local terms energy: -378.289754 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -67.734 flat angles C4'-P-C4' energy: -81.490 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: -95.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1018.099390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.099390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.099390 (E_RNA) where: Base-Base interactions energy: -665.358 where: short stacking energy: -313.649 Base-Backbone interact. energy: -0.821 local terms energy: -351.920824 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -68.360 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -89.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1010.062897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.062897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.062897 (E_RNA) where: Base-Base interactions energy: -683.266 where: short stacking energy: -284.053 Base-Backbone interact. energy: -0.724 local terms energy: -326.073227 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -77.592 flat angles P-C4'-P energy: -50.462 tors. eta vs tors. theta energy: -86.079 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: 225 Temperature: 1.150000 Total energy: -748.037810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.037810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.037810 (E_RNA) where: Base-Base interactions energy: -491.839 where: short stacking energy: -233.768 Base-Backbone interact. energy: -2.761 local terms energy: -253.437668 where: bonds (distance) C4'-P energy: -52.930 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -62.793 flat angles P-C4'-P energy: -52.181 tors. eta vs tors. theta energy: -34.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -649.674382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.674382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.674382 (E_RNA) where: Base-Base interactions energy: -379.028 where: short stacking energy: -188.410 Base-Backbone interact. energy: -0.803 local terms energy: -269.843247 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -63.587 flat angles C4'-P-C4' energy: -66.131 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: -35.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -501.204813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.204813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.204813 (E_RNA) where: Base-Base interactions energy: -256.272 where: short stacking energy: -143.427 Base-Backbone interact. energy: -2.671 local terms energy: -242.262224 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -61.999 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -7.244 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: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -389.219560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.219560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.219560 (E_RNA) where: Base-Base interactions energy: -166.814 where: short stacking energy: -107.784 Base-Backbone interact. energy: -1.779 local terms energy: -220.626182 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -73.979 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -30.557 tors. eta vs tors. theta energy: 4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -301.999506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.999506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.999506 (E_RNA) where: Base-Base interactions energy: -123.677 where: short stacking energy: -84.497 Base-Backbone interact. energy: -1.050 local terms energy: -177.272505 where: bonds (distance) C4'-P energy: -54.843 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -51.844 flat angles P-C4'-P energy: -16.296 tors. eta vs tors. theta energy: 6.414 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: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1234.081876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.081876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.081876 (E_RNA) where: Base-Base interactions energy: -839.742 where: short stacking energy: -366.088 Base-Backbone interact. energy: 1.643 local terms energy: -395.982592 where: bonds (distance) C4'-P energy: -71.629 bonds (distance) P-C4' energy: -72.905 flat angles C4'-P-C4' energy: -87.240 flat angles P-C4'-P energy: -58.628 tors. eta vs tors. theta energy: -105.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1230.823343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.823343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.823343 (E_RNA) where: Base-Base interactions energy: -861.470 where: short stacking energy: -335.166 Base-Backbone interact. energy: 1.189 local terms energy: -370.542022 where: bonds (distance) C4'-P energy: -74.471 bonds (distance) P-C4' energy: -71.449 flat angles C4'-P-C4' energy: -78.441 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -96.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1153.825682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.825682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.825682 (E_RNA) where: Base-Base interactions energy: -794.519 where: short stacking energy: -330.361 Base-Backbone interact. energy: -0.382 local terms energy: -358.924971 where: bonds (distance) C4'-P energy: -71.039 bonds (distance) P-C4' energy: -65.289 flat angles C4'-P-C4' energy: -80.624 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -91.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -986.264013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.264013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.264013 (E_RNA) where: Base-Base interactions energy: -651.014 where: short stacking energy: -291.464 Base-Backbone interact. energy: -1.042 local terms energy: -334.208060 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -54.886 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -46.691 tors. eta vs tors. theta energy: -97.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1029.261128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.261128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.261128 (E_RNA) where: Base-Base interactions energy: -707.959 where: short stacking energy: -293.187 Base-Backbone interact. energy: 5.354 local terms energy: -326.655993 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -67.724 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -86.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -778.901885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.901885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.901885 (E_RNA) where: Base-Base interactions energy: -475.775 where: short stacking energy: -221.260 Base-Backbone interact. energy: -0.862 local terms energy: -302.265377 where: bonds (distance) C4'-P energy: -61.076 bonds (distance) P-C4' energy: -58.409 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -60.337 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: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -662.768240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.768240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.768240 (E_RNA) where: Base-Base interactions energy: -376.410 where: short stacking energy: -180.176 Base-Backbone interact. energy: -3.463 local terms energy: -282.896174 where: bonds (distance) C4'-P energy: -64.808 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -48.269 tors. eta vs tors. theta energy: -37.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -505.598695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.598695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.598695 (E_RNA) where: Base-Base interactions energy: -271.068 where: short stacking energy: -155.057 Base-Backbone interact. energy: -2.675 local terms energy: -231.856484 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -69.553 flat angles P-C4'-P energy: -29.422 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -390.015536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.015536 (E_RNA) where: Base-Base interactions energy: -160.043 where: short stacking energy: -107.037 Base-Backbone interact. energy: -0.326 local terms energy: -229.647134 where: bonds (distance) C4'-P energy: -57.648 bonds (distance) P-C4' energy: -64.089 flat angles C4'-P-C4' energy: -63.627 flat angles P-C4'-P energy: -31.148 tors. eta vs tors. theta energy: -13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -311.588227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.588227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.588227 (E_RNA) where: Base-Base interactions energy: -92.336 where: short stacking energy: -83.677 Base-Backbone interact. energy: 1.826 local terms energy: -221.077907 where: bonds (distance) C4'-P energy: -52.416 bonds (distance) P-C4' energy: -61.712 flat angles C4'-P-C4' energy: -59.546 flat angles P-C4'-P energy: -39.537 tors. eta vs tors. theta energy: -7.867 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: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1226.046572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.046572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.046572 (E_RNA) where: Base-Base interactions energy: -829.773 where: short stacking energy: -366.880 Base-Backbone interact. energy: -1.698 local terms energy: -394.575860 where: bonds (distance) C4'-P energy: -74.221 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -82.389 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -108.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1202.807494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.807494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.807494 (E_RNA) where: Base-Base interactions energy: -836.862 where: short stacking energy: -328.970 Base-Backbone interact. energy: -2.425 local terms energy: -363.521255 where: bonds (distance) C4'-P energy: -73.824 bonds (distance) P-C4' energy: -71.498 flat angles C4'-P-C4' energy: -74.289 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -94.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1156.822706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.822706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.822706 (E_RNA) where: Base-Base interactions energy: -803.372 where: short stacking energy: -327.277 Base-Backbone interact. energy: -0.887 local terms energy: -352.563292 where: bonds (distance) C4'-P energy: -56.455 bonds (distance) P-C4' energy: -74.508 flat angles C4'-P-C4' energy: -79.520 flat angles P-C4'-P energy: -45.259 tors. eta vs tors. theta energy: -96.822 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: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1051.250817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.250817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.250817 (E_RNA) where: Base-Base interactions energy: -711.214 where: short stacking energy: -301.568 Base-Backbone interact. energy: -1.673 local terms energy: -338.363898 where: bonds (distance) C4'-P energy: -70.607 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: -77.786 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: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -932.545214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.545214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.545214 (E_RNA) where: Base-Base interactions energy: -613.119 where: short stacking energy: -256.137 Base-Backbone interact. energy: -1.072 local terms energy: -318.354958 where: bonds (distance) C4'-P energy: -68.922 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -68.796 flat angles P-C4'-P energy: -45.596 tors. eta vs tors. theta energy: -68.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -853.627110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.627110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.627110 (E_RNA) where: Base-Base interactions energy: -539.489 where: short stacking energy: -238.639 Base-Backbone interact. energy: -0.743 local terms energy: -313.395698 where: bonds (distance) C4'-P energy: -68.941 bonds (distance) P-C4' energy: -75.372 flat angles C4'-P-C4' energy: -69.145 flat angles P-C4'-P energy: -48.559 tors. eta vs tors. theta energy: -51.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -647.540786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.540786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.540786 (E_RNA) where: Base-Base interactions energy: -373.298 where: short stacking energy: -197.824 Base-Backbone interact. energy: -3.417 local terms energy: -270.825718 where: bonds (distance) C4'-P energy: -55.749 bonds (distance) P-C4' energy: -63.839 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -28.941 tors. eta vs tors. theta energy: -46.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -512.731398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.731398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.731398 (E_RNA) where: Base-Base interactions energy: -284.709 where: short stacking energy: -139.689 Base-Backbone interact. energy: 1.315 local terms energy: -229.337438 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -63.701 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -34.439 tors. eta vs tors. theta energy: -13.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -392.800015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.800015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.800015 (E_RNA) where: Base-Base interactions energy: -195.322 where: short stacking energy: -107.115 Base-Backbone interact. energy: -1.100 local terms energy: -196.378437 where: bonds (distance) C4'-P energy: -62.614 bonds (distance) P-C4' energy: -53.108 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: 11.102 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -299.581104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.581104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.581104 (E_RNA) where: Base-Base interactions energy: -131.188 where: short stacking energy: -76.339 Base-Backbone interact. energy: 1.271 local terms energy: -169.663650 where: bonds (distance) C4'-P energy: -64.466 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -46.413 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: 14.837 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: 228 Temperature: 0.900000 Total energy: -1237.278814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.278814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.278814 (E_RNA) where: Base-Base interactions energy: -844.777 where: short stacking energy: -362.233 Base-Backbone interact. energy: -2.911 local terms energy: -389.591046 where: bonds (distance) C4'-P energy: -76.333 bonds (distance) P-C4' energy: -71.976 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -115.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1223.229655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.229655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.229655 (E_RNA) where: Base-Base interactions energy: -854.196 where: short stacking energy: -325.763 Base-Backbone interact. energy: -0.949 local terms energy: -368.085238 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -82.538 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -98.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1148.887957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.887957 (E_RNA) where: Base-Base interactions energy: -801.632 where: short stacking energy: -318.080 Base-Backbone interact. energy: 5.602 local terms energy: -352.857865 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -67.011 flat angles C4'-P-C4' energy: -74.608 flat angles P-C4'-P energy: -56.377 tors. eta vs tors. theta energy: -87.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1072.565411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.565411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.565411 (E_RNA) where: Base-Base interactions energy: -722.893 where: short stacking energy: -297.840 Base-Backbone interact. energy: 0.422 local terms energy: -350.094223 where: bonds (distance) C4'-P energy: -59.786 bonds (distance) P-C4' energy: -68.274 flat angles C4'-P-C4' energy: -83.068 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -83.935 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: 5, replica: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -949.585527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.585527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.585527 (E_RNA) where: Base-Base interactions energy: -642.060 where: short stacking energy: -267.323 Base-Backbone interact. energy: -4.391 local terms energy: -303.133851 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -57.803 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: -68.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -893.120394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.120394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.120394 (E_RNA) where: Base-Base interactions energy: -578.786 where: short stacking energy: -254.694 Base-Backbone interact. energy: -0.667 local terms energy: -313.668111 where: bonds (distance) C4'-P energy: -50.347 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -74.537 flat angles P-C4'-P energy: -49.532 tors. eta vs tors. theta energy: -75.462 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: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -695.668141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.668141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.668141 (E_RNA) where: Base-Base interactions energy: -421.294 where: short stacking energy: -218.723 Base-Backbone interact. energy: 0.313 local terms energy: -274.687350 where: bonds (distance) C4'-P energy: -57.669 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -53.662 flat angles P-C4'-P energy: -36.242 tors. eta vs tors. theta energy: -60.192 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: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -519.017106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.017106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.017106 (E_RNA) where: Base-Base interactions energy: -279.728 where: short stacking energy: -157.998 Base-Backbone interact. energy: 0.280 local terms energy: -239.568972 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -63.295 flat angles P-C4'-P energy: -30.441 tors. eta vs tors. theta energy: -21.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -435.880645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.880645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.880645 (E_RNA) where: Base-Base interactions energy: -227.922 where: short stacking energy: -131.587 Base-Backbone interact. energy: 0.458 local terms energy: -208.417431 where: bonds (distance) C4'-P energy: -59.911 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -48.461 flat angles P-C4'-P energy: -26.247 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -288.153609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.153609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.153609 (E_RNA) where: Base-Base interactions energy: -115.834 where: short stacking energy: -100.752 Base-Backbone interact. energy: -0.683 local terms energy: -171.636503 where: bonds (distance) C4'-P energy: -49.617 bonds (distance) P-C4' energy: -55.595 flat angles C4'-P-C4' energy: -46.591 flat angles P-C4'-P energy: -29.343 tors. eta vs tors. theta energy: 9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1243.522107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.522107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.522107 (E_RNA) where: Base-Base interactions energy: -852.220 where: short stacking energy: -357.867 Base-Backbone interact. energy: -2.875 local terms energy: -388.427114 where: bonds (distance) C4'-P energy: -76.957 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -81.639 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -105.741 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: 229 Temperature: 0.950000 Total energy: -1219.343766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.343766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.343766 (E_RNA) where: Base-Base interactions energy: -867.072 where: short stacking energy: -330.650 Base-Backbone interact. energy: -0.372 local terms energy: -351.899817 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -67.790 flat angles C4'-P-C4' energy: -63.773 flat angles P-C4'-P energy: -55.041 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: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1192.331117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.331117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.331117 (E_RNA) where: Base-Base interactions energy: -832.256 where: short stacking energy: -336.052 Base-Backbone interact. energy: -0.328 local terms energy: -359.746600 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -70.414 flat angles C4'-P-C4' energy: -81.552 flat angles P-C4'-P energy: -45.460 tors. eta vs tors. theta energy: -100.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1081.401626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.401626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.401626 (E_RNA) where: Base-Base interactions energy: -727.702 where: short stacking energy: -322.010 Base-Backbone interact. energy: -0.417 local terms energy: -353.282264 where: bonds (distance) C4'-P energy: -63.507 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -75.848 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -92.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -910.623077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.623077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.623077 (E_RNA) where: Base-Base interactions energy: -595.384 where: short stacking energy: -248.602 Base-Backbone interact. energy: -2.169 local terms energy: -313.070796 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -70.743 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -66.492 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -889.989264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.989264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.989264 (E_RNA) where: Base-Base interactions energy: -596.905 where: short stacking energy: -248.826 Base-Backbone interact. energy: -0.497 local terms energy: -292.586832 where: bonds (distance) C4'-P energy: -63.010 bonds (distance) P-C4' energy: -49.312 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -64.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -636.495516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.495516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.495516 (E_RNA) where: Base-Base interactions energy: -354.335 where: short stacking energy: -176.964 Base-Backbone interact. energy: -1.104 local terms energy: -281.057303 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -48.405 tors. eta vs tors. theta energy: -35.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -546.118300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.118300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.118300 (E_RNA) where: Base-Base interactions energy: -318.761 where: short stacking energy: -157.394 Base-Backbone interact. energy: 4.365 local terms energy: -231.721964 where: bonds (distance) C4'-P energy: -53.888 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -52.340 flat angles P-C4'-P energy: -46.243 tors. eta vs tors. theta energy: -16.837 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: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -423.180664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.180664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.180664 (E_RNA) where: Base-Base interactions energy: -223.648 where: short stacking energy: -116.171 Base-Backbone interact. energy: -2.195 local terms energy: -197.337282 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -70.094 flat angles C4'-P-C4' energy: -42.791 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: 6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -288.073634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.073634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.073634 (E_RNA) where: Base-Base interactions energy: -104.454 where: short stacking energy: -78.390 Base-Backbone interact. energy: 1.212 local terms energy: -184.831076 where: bonds (distance) C4'-P energy: -66.302 bonds (distance) P-C4' energy: -45.740 flat angles C4'-P-C4' energy: -51.214 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: 18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1230.142459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.142459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.142459 (E_RNA) where: Base-Base interactions energy: -852.767 where: short stacking energy: -365.083 Base-Backbone interact. energy: -1.705 local terms energy: -375.670633 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -50.076 tors. eta vs tors. theta energy: -103.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1218.756299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.756299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.756299 (E_RNA) where: Base-Base interactions energy: -863.455 where: short stacking energy: -350.637 Base-Backbone interact. energy: 1.801 local terms energy: -357.102267 where: bonds (distance) C4'-P energy: -71.318 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -35.419 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: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1166.270152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.270152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.270152 (E_RNA) where: Base-Base interactions energy: -805.648 where: short stacking energy: -345.879 Base-Backbone interact. energy: -3.797 local terms energy: -356.824900 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -66.066 flat angles C4'-P-C4' energy: -78.615 flat angles P-C4'-P energy: -46.808 tors. eta vs tors. theta energy: -103.082 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: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1077.063920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.063920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.063920 (E_RNA) where: Base-Base interactions energy: -731.496 where: short stacking energy: -298.455 Base-Backbone interact. energy: -0.962 local terms energy: -344.605763 where: bonds (distance) C4'-P energy: -67.606 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -66.758 flat angles P-C4'-P energy: -60.215 tors. eta vs tors. theta energy: -88.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -930.112245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.112245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.112245 (E_RNA) where: Base-Base interactions energy: -619.363 where: short stacking energy: -269.982 Base-Backbone interact. energy: -1.964 local terms energy: -308.784934 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -70.630 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -38.833 tors. eta vs tors. theta energy: -63.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -844.989593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.989593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.989593 (E_RNA) where: Base-Base interactions energy: -542.581 where: short stacking energy: -243.556 Base-Backbone interact. energy: 0.178 local terms energy: -302.585741 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -44.940 tors. eta vs tors. theta energy: -72.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -626.386223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.386223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.386223 (E_RNA) where: Base-Base interactions energy: -359.636 where: short stacking energy: -175.774 Base-Backbone interact. energy: 5.283 local terms energy: -272.033168 where: bonds (distance) C4'-P energy: -60.628 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -57.592 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -27.926 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: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -581.907436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.907436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.907436 (E_RNA) where: Base-Base interactions energy: -357.113 where: short stacking energy: -167.125 Base-Backbone interact. energy: 0.902 local terms energy: -225.696664 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -45.797 flat angles P-C4'-P energy: -33.538 tors. eta vs tors. theta energy: -12.124 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: 230 Temperature: 1.300000 Total energy: -376.974645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.974645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.974645 (E_RNA) where: Base-Base interactions energy: -178.800 where: short stacking energy: -91.305 Base-Backbone interact. energy: -1.147 local terms energy: -197.028051 where: bonds (distance) C4'-P energy: -62.746 bonds (distance) P-C4' energy: -58.533 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -33.757 tors. eta vs tors. theta energy: 9.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -292.915491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.915491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.915491 (E_RNA) where: Base-Base interactions energy: -104.766 where: short stacking energy: -88.290 Base-Backbone interact. energy: 3.217 local terms energy: -191.365623 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -47.147 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: 11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1242.226397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.226397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.226397 (E_RNA) where: Base-Base interactions energy: -856.174 where: short stacking energy: -350.642 Base-Backbone interact. energy: -2.133 local terms energy: -383.919106 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -75.482 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -55.192 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: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1240.359538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.359538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.359538 (E_RNA) where: Base-Base interactions energy: -882.422 where: short stacking energy: -345.808 Base-Backbone interact. energy: 3.391 local terms energy: -361.328185 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -79.992 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -101.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1219.646363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.646363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.646363 (E_RNA) where: Base-Base interactions energy: -843.058 where: short stacking energy: -346.720 Base-Backbone interact. energy: -1.843 local terms energy: -374.745692 where: bonds (distance) C4'-P energy: -77.577 bonds (distance) P-C4' energy: -62.443 flat angles C4'-P-C4' energy: -74.439 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -109.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1126.246248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.246248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.246248 (E_RNA) where: Base-Base interactions energy: -762.909 where: short stacking energy: -333.200 Base-Backbone interact. energy: -0.062 local terms energy: -363.274656 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -59.429 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: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -958.768767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.768767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.768767 (E_RNA) where: Base-Base interactions energy: -630.821 where: short stacking energy: -276.793 Base-Backbone interact. energy: -0.066 local terms energy: -327.881750 where: bonds (distance) C4'-P energy: -76.017 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -72.567 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: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -831.475619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.475619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.475619 (E_RNA) where: Base-Base interactions energy: -511.289 where: short stacking energy: -242.502 Base-Backbone interact. energy: -3.624 local terms energy: -316.562802 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -61.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -629.326834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.326834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.326834 (E_RNA) where: Base-Base interactions energy: -378.462 where: short stacking energy: -197.194 Base-Backbone interact. energy: -0.991 local terms energy: -249.873606 where: bonds (distance) C4'-P energy: -47.640 bonds (distance) P-C4' energy: -68.439 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -31.902 tors. eta vs tors. theta energy: -42.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -589.534680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.534680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.534680 (E_RNA) where: Base-Base interactions energy: -330.844 where: short stacking energy: -148.633 Base-Backbone interact. energy: -1.243 local terms energy: -257.447826 where: bonds (distance) C4'-P energy: -68.864 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -57.501 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -25.841 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: 231 Temperature: 1.300000 Total energy: -373.412521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.412521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.412521 (E_RNA) where: Base-Base interactions energy: -174.526 where: short stacking energy: -118.208 Base-Backbone interact. energy: -1.626 local terms energy: -197.260818 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -63.896 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -18.932 tors. eta vs tors. theta energy: 5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -291.234250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.234250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.234250 (E_RNA) where: Base-Base interactions energy: -116.207 where: short stacking energy: -78.623 Base-Backbone interact. energy: 1.341 local terms energy: -176.367854 where: bonds (distance) C4'-P energy: -57.013 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -48.403 flat angles P-C4'-P energy: -23.732 tors. eta vs tors. theta energy: 9.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1231.316251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.316251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.316251 (E_RNA) where: Base-Base interactions energy: -833.501 where: short stacking energy: -364.426 Base-Backbone interact. energy: -3.615 local terms energy: -394.200609 where: bonds (distance) C4'-P energy: -66.565 bonds (distance) P-C4' energy: -79.213 flat angles C4'-P-C4' energy: -86.020 flat angles P-C4'-P energy: -48.799 tors. eta vs tors. theta energy: -113.604 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: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1241.791328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.791328 (E_RNA) where: Base-Base interactions energy: -874.557 where: short stacking energy: -336.733 Base-Backbone interact. energy: -0.938 local terms energy: -366.296426 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -69.086 flat angles C4'-P-C4' energy: -84.665 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -102.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1161.127797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.127797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.127797 (E_RNA) where: Base-Base interactions energy: -798.346 where: short stacking energy: -346.361 Base-Backbone interact. energy: -2.045 local terms energy: -360.736805 where: bonds (distance) C4'-P energy: -64.361 bonds (distance) P-C4' energy: -66.723 flat angles C4'-P-C4' energy: -82.603 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -99.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1100.551457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.551457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.551457 (E_RNA) where: Base-Base interactions energy: -735.563 where: short stacking energy: -324.833 Base-Backbone interact. energy: -2.453 local terms energy: -362.535489 where: bonds (distance) C4'-P energy: -72.543 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: -97.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -950.524369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.524369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.524369 (E_RNA) where: Base-Base interactions energy: -618.840 where: short stacking energy: -262.747 Base-Backbone interact. energy: -1.277 local terms energy: -330.407274 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -72.327 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: -71.451 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: 232 Temperature: 1.150000 Total energy: -829.942383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.942383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.942383 (E_RNA) where: Base-Base interactions energy: -533.514 where: short stacking energy: -245.844 Base-Backbone interact. energy: -1.800 local terms energy: -294.627464 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -49.977 flat angles P-C4'-P energy: -43.014 tors. eta vs tors. theta energy: -61.467 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: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -647.634026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.634026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.634026 (E_RNA) where: Base-Base interactions energy: -374.102 where: short stacking energy: -183.724 Base-Backbone interact. energy: -1.384 local terms energy: -272.147234 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -60.193 flat angles C4'-P-C4' energy: -61.734 flat angles P-C4'-P energy: -37.588 tors. eta vs tors. theta energy: -46.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -579.206884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.206884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.206884 (E_RNA) where: Base-Base interactions energy: -330.340 where: short stacking energy: -173.004 Base-Backbone interact. energy: -1.246 local terms energy: -247.621175 where: bonds (distance) C4'-P energy: -65.180 bonds (distance) P-C4' energy: -59.178 flat angles C4'-P-C4' energy: -63.599 flat angles P-C4'-P energy: -30.852 tors. eta vs tors. theta energy: -28.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -313.896705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.896705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.896705 (E_RNA) where: Base-Base interactions energy: -122.987 where: short stacking energy: -104.944 Base-Backbone interact. energy: -1.332 local terms energy: -189.578110 where: bonds (distance) C4'-P energy: -54.823 bonds (distance) P-C4' energy: -64.295 flat angles C4'-P-C4' energy: -54.294 flat angles P-C4'-P energy: -19.941 tors. eta vs tors. theta energy: 3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -348.030666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.030666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.030666 (E_RNA) where: Base-Base interactions energy: -172.573 where: short stacking energy: -108.473 Base-Backbone interact. energy: 1.900 local terms energy: -177.357006 where: bonds (distance) C4'-P energy: -51.107 bonds (distance) P-C4' energy: -67.776 flat angles C4'-P-C4' energy: -54.227 flat angles P-C4'-P energy: -7.080 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: 233 Temperature: 0.900000 Total energy: -1243.156918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.156918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.156918 (E_RNA) where: Base-Base interactions energy: -837.030 where: short stacking energy: -367.242 Base-Backbone interact. energy: -1.817 local terms energy: -404.309797 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -80.205 flat angles P-C4'-P energy: -59.391 tors. eta vs tors. theta energy: -111.536 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: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1236.214926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.214926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.214926 (E_RNA) where: Base-Base interactions energy: -861.187 where: short stacking energy: -317.342 Base-Backbone interact. energy: 2.120 local terms energy: -377.147471 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -103.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1146.698042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.698042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.698042 (E_RNA) where: Base-Base interactions energy: -776.520 where: short stacking energy: -316.825 Base-Backbone interact. energy: -2.810 local terms energy: -367.367545 where: bonds (distance) C4'-P energy: -72.697 bonds (distance) P-C4' energy: -73.330 flat angles C4'-P-C4' energy: -76.423 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: -96.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1089.682748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.682748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.682748 (E_RNA) where: Base-Base interactions energy: -743.356 where: short stacking energy: -305.189 Base-Backbone interact. energy: -0.534 local terms energy: -345.792773 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -70.365 flat angles C4'-P-C4' energy: -77.833 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -94.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -937.297177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.297177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.297177 (E_RNA) where: Base-Base interactions energy: -621.218 where: short stacking energy: -265.764 Base-Backbone interact. energy: 0.404 local terms energy: -316.483903 where: bonds (distance) C4'-P energy: -48.507 bonds (distance) P-C4' energy: -64.292 flat angles C4'-P-C4' energy: -76.388 flat angles P-C4'-P energy: -53.139 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: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -833.138184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.138184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.138184 (E_RNA) where: Base-Base interactions energy: -527.993 where: short stacking energy: -228.634 Base-Backbone interact. energy: 1.993 local terms energy: -307.138627 where: bonds (distance) C4'-P energy: -60.828 bonds (distance) P-C4' energy: -70.119 flat angles C4'-P-C4' energy: -68.897 flat angles P-C4'-P energy: -51.177 tors. eta vs tors. theta energy: -56.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -660.751174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.751174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.751174 (E_RNA) where: Base-Base interactions energy: -375.209 where: short stacking energy: -189.447 Base-Backbone interact. energy: -1.273 local terms energy: -284.269003 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -69.898 flat angles P-C4'-P energy: -36.883 tors. eta vs tors. theta energy: -39.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -580.597566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.597566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.597566 (E_RNA) where: Base-Base interactions energy: -347.336 where: short stacking energy: -178.593 Base-Backbone interact. energy: 2.490 local terms energy: -235.750919 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -48.156 flat angles C4'-P-C4' energy: -55.784 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -28.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -342.318455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.318455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.318455 (E_RNA) where: Base-Base interactions energy: -144.498 where: short stacking energy: -108.521 Base-Backbone interact. energy: -0.835 local terms energy: -196.985668 where: bonds (distance) C4'-P energy: -52.118 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -39.324 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -373.382068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.382068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.382068 (E_RNA) where: Base-Base interactions energy: -167.924 where: short stacking energy: -112.902 Base-Backbone interact. energy: 3.858 local terms energy: -209.316139 where: bonds (distance) C4'-P energy: -61.311 bonds (distance) P-C4' energy: -58.622 flat angles C4'-P-C4' energy: -48.241 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1258.112595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.112595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.112595 (E_RNA) where: Base-Base interactions energy: -882.689 where: short stacking energy: -348.540 Base-Backbone interact. energy: -0.786 local terms energy: -374.638291 where: bonds (distance) C4'-P energy: -70.558 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -77.078 flat angles P-C4'-P energy: -46.218 tors. eta vs tors. theta energy: -99.846 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: 234 Temperature: 0.950000 Total energy: -1207.645429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.645429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.645429 (E_RNA) where: Base-Base interactions energy: -821.974 where: short stacking energy: -364.183 Base-Backbone interact. energy: -0.071 local terms energy: -385.601111 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -74.873 flat angles C4'-P-C4' energy: -83.235 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -111.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1153.372593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.372593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.372593 (E_RNA) where: Base-Base interactions energy: -801.221 where: short stacking energy: -327.870 Base-Backbone interact. energy: 1.457 local terms energy: -353.609059 where: bonds (distance) C4'-P energy: -69.125 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -41.917 tors. eta vs tors. theta energy: -94.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1085.182759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.182759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.182759 (E_RNA) where: Base-Base interactions energy: -741.839 where: short stacking energy: -312.974 Base-Backbone interact. energy: 0.995 local terms energy: -344.339089 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -63.671 flat angles C4'-P-C4' energy: -76.318 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -90.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -940.999935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.999935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.999935 (E_RNA) where: Base-Base interactions energy: -622.957 where: short stacking energy: -280.371 Base-Backbone interact. energy: 0.455 local terms energy: -318.497608 where: bonds (distance) C4'-P energy: -57.675 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -44.514 tors. eta vs tors. theta energy: -77.064 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: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -900.044236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.044236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.044236 (E_RNA) where: Base-Base interactions energy: -581.227 where: short stacking energy: -261.578 Base-Backbone interact. energy: 0.185 local terms energy: -319.002514 where: bonds (distance) C4'-P energy: -62.374 bonds (distance) P-C4' energy: -70.509 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -74.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -646.560950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.560950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.560950 (E_RNA) where: Base-Base interactions energy: -376.166 where: short stacking energy: -178.757 Base-Backbone interact. energy: -1.344 local terms energy: -269.051562 where: bonds (distance) C4'-P energy: -59.061 bonds (distance) P-C4' energy: -62.288 flat angles C4'-P-C4' energy: -70.969 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -32.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -539.896529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.896529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.896529 (E_RNA) where: Base-Base interactions energy: -304.867 where: short stacking energy: -132.982 Base-Backbone interact. energy: -1.870 local terms energy: -233.159720 where: bonds (distance) C4'-P energy: -59.946 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -64.279 flat angles P-C4'-P energy: -41.955 tors. eta vs tors. theta energy: -0.052 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: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -398.688525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.688525 (E_RNA) where: Base-Base interactions energy: -155.750 where: short stacking energy: -95.037 Base-Backbone interact. energy: -1.273 local terms energy: -241.665441 where: bonds (distance) C4'-P energy: -63.433 bonds (distance) P-C4' energy: -66.715 flat angles C4'-P-C4' energy: -65.686 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -310.678683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.678683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.678683 (E_RNA) where: Base-Base interactions energy: -104.900 where: short stacking energy: -85.411 Base-Backbone interact. energy: -0.987 local terms energy: -204.791962 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -57.497 flat angles P-C4'-P energy: -38.187 tors. eta vs tors. theta energy: 12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1258.155994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.155994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.155994 (E_RNA) where: Base-Base interactions energy: -882.779 where: short stacking energy: -358.041 Base-Backbone interact. energy: 0.569 local terms energy: -375.946483 where: bonds (distance) C4'-P energy: -62.086 bonds (distance) P-C4' energy: -81.333 flat angles C4'-P-C4' energy: -75.714 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -100.960 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1220.149827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.149827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.149827 (E_RNA) where: Base-Base interactions energy: -827.959 where: short stacking energy: -366.189 Base-Backbone interact. energy: 3.221 local terms energy: -395.411569 where: bonds (distance) C4'-P energy: -67.999 bonds (distance) P-C4' energy: -81.827 flat angles C4'-P-C4' energy: -78.368 flat angles P-C4'-P energy: -57.129 tors. eta vs tors. theta energy: -110.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1162.601926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.601926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.601926 (E_RNA) where: Base-Base interactions energy: -781.127 where: short stacking energy: -325.535 Base-Backbone interact. energy: -1.954 local terms energy: -379.520352 where: bonds (distance) C4'-P energy: -67.431 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -85.217 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -96.746 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1062.828651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.828651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.828651 (E_RNA) where: Base-Base interactions energy: -728.875 where: short stacking energy: -319.254 Base-Backbone interact. energy: -3.750 local terms energy: -330.203669 where: bonds (distance) C4'-P energy: -53.572 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: -87.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -981.792672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792672 (E_RNA) where: Base-Base interactions energy: -677.249 where: short stacking energy: -285.359 Base-Backbone interact. energy: 1.416 local terms energy: -305.959576 where: bonds (distance) C4'-P energy: -54.291 bonds (distance) P-C4' energy: -69.053 flat angles C4'-P-C4' energy: -59.316 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -81.951 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -877.261372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.261372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.261372 (E_RNA) where: Base-Base interactions energy: -574.210 where: short stacking energy: -240.809 Base-Backbone interact. energy: 1.827 local terms energy: -304.877950 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -72.828 flat angles C4'-P-C4' energy: -72.697 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -57.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -649.687142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.687142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.687142 (E_RNA) where: Base-Base interactions energy: -372.447 where: short stacking energy: -191.903 Base-Backbone interact. energy: 0.795 local terms energy: -278.035006 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -58.555 flat angles P-C4'-P energy: -35.620 tors. eta vs tors. theta energy: -53.161 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: 235 Temperature: 1.250000 Total energy: -602.282723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.282723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.282723 (E_RNA) where: Base-Base interactions energy: -360.800 where: short stacking energy: -183.429 Base-Backbone interact. energy: 1.281 local terms energy: -242.763626 where: bonds (distance) C4'-P energy: -66.494 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -48.116 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: -29.898 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: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -362.331423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.331423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.331423 (E_RNA) where: Base-Base interactions energy: -156.075 where: short stacking energy: -98.774 Base-Backbone interact. energy: -1.698 local terms energy: -204.558778 where: bonds (distance) C4'-P energy: -53.135 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -52.183 flat angles P-C4'-P energy: -30.681 tors. eta vs tors. theta energy: -8.626 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -279.871615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.871615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.871615 (E_RNA) where: Base-Base interactions energy: -88.848 where: short stacking energy: -72.546 Base-Backbone interact. energy: 2.565 local terms energy: -193.588657 where: bonds (distance) C4'-P energy: -54.686 bonds (distance) P-C4' energy: -50.194 flat angles C4'-P-C4' energy: -53.403 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: 0.909 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: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1239.779233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.779233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.779233 (E_RNA) where: Base-Base interactions energy: -886.183 where: short stacking energy: -359.872 Base-Backbone interact. energy: -0.652 local terms energy: -352.944593 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -68.410 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: -98.095 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: 236 Temperature: 0.950000 Total energy: -1206.186905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.186905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.186905 (E_RNA) where: Base-Base interactions energy: -827.079 where: short stacking energy: -347.118 Base-Backbone interact. energy: -1.973 local terms energy: -377.134906 where: bonds (distance) C4'-P energy: -55.061 bonds (distance) P-C4' energy: -74.783 flat angles C4'-P-C4' energy: -87.492 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -106.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1080.865341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.865341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.865341 (E_RNA) where: Base-Base interactions energy: -731.128 where: short stacking energy: -294.935 Base-Backbone interact. energy: 0.748 local terms energy: -350.485372 where: bonds (distance) C4'-P energy: -60.322 bonds (distance) P-C4' energy: -69.615 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1098.169605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.169605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.169605 (E_RNA) where: Base-Base interactions energy: -753.433 where: short stacking energy: -322.580 Base-Backbone interact. energy: 3.456 local terms energy: -348.193131 where: bonds (distance) C4'-P energy: -61.464 bonds (distance) P-C4' energy: -72.734 flat angles C4'-P-C4' energy: -75.370 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -87.113 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: 236 Temperature: 1.100000 Total energy: -944.380734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.380734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.380734 (E_RNA) where: Base-Base interactions energy: -584.231 where: short stacking energy: -240.443 Base-Backbone interact. energy: -1.805 local terms energy: -358.344468 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -83.365 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -66.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -839.232450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.232450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.232450 (E_RNA) where: Base-Base interactions energy: -543.147 where: short stacking energy: -240.813 Base-Backbone interact. energy: -3.193 local terms energy: -292.892460 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -70.155 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -58.691 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: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -643.990153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.990153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.990153 (E_RNA) where: Base-Base interactions energy: -374.642 where: short stacking energy: -181.609 Base-Backbone interact. energy: -0.753 local terms energy: -268.595289 where: bonds (distance) C4'-P energy: -56.532 bonds (distance) P-C4' energy: -66.011 flat angles C4'-P-C4' energy: -66.282 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -40.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -571.668748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.668748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.668748 (E_RNA) where: Base-Base interactions energy: -311.806 where: short stacking energy: -157.931 Base-Backbone interact. energy: -1.004 local terms energy: -258.859035 where: bonds (distance) C4'-P energy: -60.698 bonds (distance) P-C4' energy: -67.079 flat angles C4'-P-C4' energy: -60.369 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -29.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -361.416246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.416246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.416246 (E_RNA) where: Base-Base interactions energy: -161.641 where: short stacking energy: -98.603 Base-Backbone interact. energy: 4.312 local terms energy: -204.087309 where: bonds (distance) C4'-P energy: -59.867 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -61.045 flat angles P-C4'-P energy: -32.764 tors. eta vs tors. theta energy: 16.663 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: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -264.860124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.860124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.860124 (E_RNA) where: Base-Base interactions energy: -80.805 where: short stacking energy: -65.030 Base-Backbone interact. energy: -0.589 local terms energy: -183.466841 where: bonds (distance) C4'-P energy: -57.501 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -48.480 flat angles P-C4'-P energy: -20.375 tors. eta vs tors. theta energy: 12.428 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: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1250.941304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.941304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.941304 (E_RNA) where: Base-Base interactions energy: -871.194 where: short stacking energy: -347.672 Base-Backbone interact. energy: -2.099 local terms energy: -377.648519 where: bonds (distance) C4'-P energy: -74.857 bonds (distance) P-C4' energy: -77.772 flat angles C4'-P-C4' energy: -84.769 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -94.454 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: 237 Temperature: 0.950000 Total energy: -1225.297471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.297471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.297471 (E_RNA) where: Base-Base interactions energy: -851.677 where: short stacking energy: -351.586 Base-Backbone interact. energy: 0.431 local terms energy: -374.050646 where: bonds (distance) C4'-P energy: -65.735 bonds (distance) P-C4' energy: -71.798 flat angles C4'-P-C4' energy: -81.158 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -109.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1070.407925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.407925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.407925 (E_RNA) where: Base-Base interactions energy: -723.986 where: short stacking energy: -310.699 Base-Backbone interact. energy: 0.136 local terms energy: -346.557573 where: bonds (distance) C4'-P energy: -66.788 bonds (distance) P-C4' energy: -68.337 flat angles C4'-P-C4' energy: -74.074 flat angles P-C4'-P energy: -53.492 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: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1125.908235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.908235 (E_RNA) where: Base-Base interactions energy: -751.815 where: short stacking energy: -325.978 Base-Backbone interact. energy: -1.108 local terms energy: -372.985360 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -75.124 flat angles C4'-P-C4' energy: -75.543 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -104.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -956.889423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.889423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.889423 (E_RNA) where: Base-Base interactions energy: -628.823 where: short stacking energy: -275.861 Base-Backbone interact. energy: -0.861 local terms energy: -327.204773 where: bonds (distance) C4'-P energy: -65.542 bonds (distance) P-C4' energy: -70.593 flat angles C4'-P-C4' energy: -75.371 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -70.075 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: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -863.274225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.274225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.274225 (E_RNA) where: Base-Base interactions energy: -556.945 where: short stacking energy: -239.322 Base-Backbone interact. energy: -1.254 local terms energy: -305.074984 where: bonds (distance) C4'-P energy: -60.416 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -47.567 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: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -640.996763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.996763 (E_RNA) where: Base-Base interactions energy: -373.657 where: short stacking energy: -197.450 Base-Backbone interact. energy: -0.580 local terms energy: -266.760124 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -42.009 tors. eta vs tors. theta energy: -27.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -586.028416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.028416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.028416 (E_RNA) where: Base-Base interactions energy: -317.543 where: short stacking energy: -150.249 Base-Backbone interact. energy: 0.650 local terms energy: -269.135231 where: bonds (distance) C4'-P energy: -70.523 bonds (distance) P-C4' energy: -67.205 flat angles C4'-P-C4' energy: -66.638 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -367.016907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.016907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.016907 (E_RNA) where: Base-Base interactions energy: -176.120 where: short stacking energy: -111.338 Base-Backbone interact. energy: -1.654 local terms energy: -189.242906 where: bonds (distance) C4'-P energy: -41.098 bonds (distance) P-C4' energy: -51.452 flat angles C4'-P-C4' energy: -58.110 flat angles P-C4'-P energy: -37.799 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -290.009760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.009760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.009760 (E_RNA) where: Base-Base interactions energy: -93.863 where: short stacking energy: -65.534 Base-Backbone interact. energy: 1.206 local terms energy: -197.353244 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -65.297 flat angles P-C4'-P energy: -29.209 tors. eta vs tors. theta energy: 7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1264.570510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.570510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.570510 (E_RNA) where: Base-Base interactions energy: -915.738 where: short stacking energy: -359.436 Base-Backbone interact. energy: 0.577 local terms energy: -349.408706 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -66.637 flat angles C4'-P-C4' energy: -74.999 flat angles P-C4'-P energy: -47.173 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: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1226.125940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.125940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.125940 (E_RNA) where: Base-Base interactions energy: -847.557 where: short stacking energy: -353.779 Base-Backbone interact. energy: -0.947 local terms energy: -377.622110 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -70.777 flat angles C4'-P-C4' energy: -73.975 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -106.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1140.519530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.519530 (E_RNA) where: Base-Base interactions energy: -785.830 where: short stacking energy: -325.306 Base-Backbone interact. energy: -2.516 local terms energy: -352.172640 where: bonds (distance) C4'-P energy: -66.007 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -79.920 flat angles P-C4'-P energy: -56.625 tors. eta vs tors. theta energy: -84.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1062.760503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.760503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.760503 (E_RNA) where: Base-Base interactions energy: -724.500 where: short stacking energy: -313.633 Base-Backbone interact. energy: -0.675 local terms energy: -337.585621 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -69.533 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -917.499275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.499275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.499275 (E_RNA) where: Base-Base interactions energy: -585.911 where: short stacking energy: -264.427 Base-Backbone interact. energy: -1.082 local terms energy: -330.506907 where: bonds (distance) C4'-P energy: -80.495 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -66.219 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -71.626 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: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -842.283146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.283146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.283146 (E_RNA) where: Base-Base interactions energy: -537.794 where: short stacking energy: -228.058 Base-Backbone interact. energy: -2.521 local terms energy: -301.967879 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -75.965 flat angles C4'-P-C4' energy: -59.874 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -59.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -644.326735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.326735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.326735 (E_RNA) where: Base-Base interactions energy: -370.770 where: short stacking energy: -188.752 Base-Backbone interact. energy: -0.237 local terms energy: -273.319462 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -41.384 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: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -583.060606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.060606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.060606 (E_RNA) where: Base-Base interactions energy: -335.178 where: short stacking energy: -174.543 Base-Backbone interact. energy: -0.740 local terms energy: -247.142886 where: bonds (distance) C4'-P energy: -55.656 bonds (distance) P-C4' energy: -67.506 flat angles C4'-P-C4' energy: -53.610 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -28.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -390.752234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.752234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.752234 (E_RNA) where: Base-Base interactions energy: -173.237 where: short stacking energy: -108.978 Base-Backbone interact. energy: 0.657 local terms energy: -218.172564 where: bonds (distance) C4'-P energy: -54.695 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -54.329 flat angles P-C4'-P energy: -32.825 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -328.036376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.036376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.036376 (E_RNA) where: Base-Base interactions energy: -136.579 where: short stacking energy: -86.859 Base-Backbone interact. energy: -0.965 local terms energy: -190.491945 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -48.289 flat angles C4'-P-C4' energy: -50.551 flat angles P-C4'-P energy: -29.478 tors. eta vs tors. theta energy: 0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1262.699922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.699922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.699922 (E_RNA) where: Base-Base interactions energy: -895.648 where: short stacking energy: -346.718 Base-Backbone interact. energy: -1.045 local terms energy: -366.006656 where: bonds (distance) C4'-P energy: -62.193 bonds (distance) P-C4' energy: -70.585 flat angles C4'-P-C4' energy: -84.435 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: -99.536 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: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1214.598403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.598403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.598403 (E_RNA) where: Base-Base interactions energy: -823.713 where: short stacking energy: -354.444 Base-Backbone interact. energy: -2.883 local terms energy: -388.001866 where: bonds (distance) C4'-P energy: -76.681 bonds (distance) P-C4' energy: -79.037 flat angles C4'-P-C4' energy: -84.090 flat angles P-C4'-P energy: -44.000 tors. eta vs tors. theta energy: -104.195 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: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1187.794620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.794620 (E_RNA) where: Base-Base interactions energy: -814.224 where: short stacking energy: -322.932 Base-Backbone interact. energy: -2.978 local terms energy: -370.592180 where: bonds (distance) C4'-P energy: -69.795 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -96.948 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: 239 Temperature: 1.050000 Total energy: -1035.882313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.882313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.882313 (E_RNA) where: Base-Base interactions energy: -710.101 where: short stacking energy: -299.061 Base-Backbone interact. energy: 0.543 local terms energy: -326.324706 where: bonds (distance) C4'-P energy: -52.798 bonds (distance) P-C4' energy: -73.989 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -78.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -964.244256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.244256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.244256 (E_RNA) where: Base-Base interactions energy: -629.875 where: short stacking energy: -291.609 Base-Backbone interact. energy: 0.664 local terms energy: -335.033195 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -73.414 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -79.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -820.104957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.104957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.104957 (E_RNA) where: Base-Base interactions energy: -526.099 where: short stacking energy: -234.321 Base-Backbone interact. energy: 0.056 local terms energy: -294.062321 where: bonds (distance) C4'-P energy: -44.839 bonds (distance) P-C4' energy: -70.978 flat angles C4'-P-C4' energy: -67.554 flat angles P-C4'-P energy: -48.014 tors. eta vs tors. theta energy: -62.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -639.284148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.284148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.284148 (E_RNA) where: Base-Base interactions energy: -367.439 where: short stacking energy: -187.017 Base-Backbone interact. energy: 0.278 local terms energy: -272.122888 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -63.474 flat angles P-C4'-P energy: -41.653 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: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -613.055933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.055933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.055933 (E_RNA) where: Base-Base interactions energy: -374.598 where: short stacking energy: -183.229 Base-Backbone interact. energy: -1.403 local terms energy: -237.054947 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -54.463 flat angles P-C4'-P energy: -31.281 tors. eta vs tors. theta energy: -36.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -394.369198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.369198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.369198 (E_RNA) where: Base-Base interactions energy: -187.048 where: short stacking energy: -111.900 Base-Backbone interact. energy: -1.255 local terms energy: -206.065456 where: bonds (distance) C4'-P energy: -67.582 bonds (distance) P-C4' energy: -52.626 flat angles C4'-P-C4' energy: -58.545 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: 10.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -294.410648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.410648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.410648 (E_RNA) where: Base-Base interactions energy: -132.559 where: short stacking energy: -76.162 Base-Backbone interact. energy: 1.774 local terms energy: -163.625226 where: bonds (distance) C4'-P energy: -46.955 bonds (distance) P-C4' energy: -53.363 flat angles C4'-P-C4' energy: -47.529 flat angles P-C4'-P energy: -36.133 tors. eta vs tors. theta energy: 20.356 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1265.374856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.374856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.374856 (E_RNA) where: Base-Base interactions energy: -887.408 where: short stacking energy: -359.496 Base-Backbone interact. energy: -0.040 local terms energy: -377.926285 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -79.210 flat angles C4'-P-C4' energy: -79.601 flat angles P-C4'-P energy: -45.065 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: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1238.404924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.404924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.404924 (E_RNA) where: Base-Base interactions energy: -861.282 where: short stacking energy: -356.932 Base-Backbone interact. energy: -1.561 local terms energy: -375.561867 where: bonds (distance) C4'-P energy: -72.293 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -73.230 flat angles P-C4'-P energy: -50.940 tors. eta vs tors. theta energy: -113.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1158.028905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.028905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.028905 (E_RNA) where: Base-Base interactions energy: -803.201 where: short stacking energy: -330.421 Base-Backbone interact. energy: -0.442 local terms energy: -354.386675 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -64.735 flat angles C4'-P-C4' energy: -79.421 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: -95.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1061.264242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.264242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.264242 (E_RNA) where: Base-Base interactions energy: -719.075 where: short stacking energy: -328.706 Base-Backbone interact. energy: -0.838 local terms energy: -341.351444 where: bonds (distance) C4'-P energy: -59.287 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -75.667 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -84.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -934.157863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.157863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.157863 (E_RNA) where: Base-Base interactions energy: -603.963 where: short stacking energy: -272.046 Base-Backbone interact. energy: -2.086 local terms energy: -328.108726 where: bonds (distance) C4'-P energy: -72.561 bonds (distance) P-C4' energy: -75.566 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -69.624 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: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -821.699033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.699033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.699033 (E_RNA) where: Base-Base interactions energy: -521.670 where: short stacking energy: -226.849 Base-Backbone interact. energy: 1.729 local terms energy: -301.758347 where: bonds (distance) C4'-P energy: -68.110 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -55.136 flat angles P-C4'-P energy: -49.481 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: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -630.057930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.057930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.057930 (E_RNA) where: Base-Base interactions energy: -344.940 where: short stacking energy: -182.616 Base-Backbone interact. energy: -0.488 local terms energy: -284.629472 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -75.234 flat angles C4'-P-C4' energy: -58.579 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -35.462 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: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -518.719214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.719214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.719214 (E_RNA) where: Base-Base interactions energy: -282.651 where: short stacking energy: -159.801 Base-Backbone interact. energy: -1.171 local terms energy: -234.897331 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -55.880 flat angles P-C4'-P energy: -28.875 tors. eta vs tors. theta energy: -24.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -398.074112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.074112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.074112 (E_RNA) where: Base-Base interactions energy: -198.772 where: short stacking energy: -107.924 Base-Backbone interact. energy: 0.330 local terms energy: -199.632349 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -68.001 flat angles C4'-P-C4' energy: -56.367 flat angles P-C4'-P energy: -21.587 tors. eta vs tors. theta energy: 3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -286.776726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.776726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.776726 (E_RNA) where: Base-Base interactions energy: -92.213 where: short stacking energy: -89.520 Base-Backbone interact. energy: 0.374 local terms energy: -194.937627 where: bonds (distance) C4'-P energy: -52.153 bonds (distance) P-C4' energy: -70.944 flat angles C4'-P-C4' energy: -55.206 flat angles P-C4'-P energy: -31.542 tors. eta vs tors. theta energy: 14.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1278.020529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.020529 (E_RNA) where: Base-Base interactions energy: -891.243 where: short stacking energy: -349.303 Base-Backbone interact. energy: 0.402 local terms energy: -387.179805 where: bonds (distance) C4'-P energy: -77.538 bonds (distance) P-C4' energy: -76.593 flat angles C4'-P-C4' energy: -78.726 flat angles P-C4'-P energy: -49.847 tors. eta vs tors. theta energy: -104.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1198.544225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.544225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.544225 (E_RNA) where: Base-Base interactions energy: -834.826 where: short stacking energy: -353.727 Base-Backbone interact. energy: -2.586 local terms energy: -361.131556 where: bonds (distance) C4'-P energy: -67.704 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -78.126 flat angles P-C4'-P energy: -42.525 tors. eta vs tors. theta energy: -108.504 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: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1164.940901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.940901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.940901 (E_RNA) where: Base-Base interactions energy: -786.838 where: short stacking energy: -303.558 Base-Backbone interact. energy: 0.724 local terms energy: -378.826681 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -87.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1069.317156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.317156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.317156 (E_RNA) where: Base-Base interactions energy: -714.446 where: short stacking energy: -327.903 Base-Backbone interact. energy: -0.766 local terms energy: -354.105428 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -72.993 flat angles C4'-P-C4' energy: -67.544 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -90.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -918.438226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.438226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.438226 (E_RNA) where: Base-Base interactions energy: -604.433 where: short stacking energy: -273.262 Base-Backbone interact. energy: 6.296 local terms energy: -320.301085 where: bonds (distance) C4'-P energy: -63.771 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -73.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -865.093553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.093553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.093553 (E_RNA) where: Base-Base interactions energy: -568.605 where: short stacking energy: -232.250 Base-Backbone interact. energy: -1.356 local terms energy: -295.133089 where: bonds (distance) C4'-P energy: -75.253 bonds (distance) P-C4' energy: -56.464 flat angles C4'-P-C4' energy: -66.325 flat angles P-C4'-P energy: -43.499 tors. eta vs tors. theta energy: -53.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -659.194024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.194024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.194024 (E_RNA) where: Base-Base interactions energy: -375.612 where: short stacking energy: -186.411 Base-Backbone interact. energy: -1.170 local terms energy: -282.412268 where: bonds (distance) C4'-P energy: -60.998 bonds (distance) P-C4' energy: -76.141 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -40.241 tors. eta vs tors. theta energy: -38.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -504.817024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.817024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.817024 (E_RNA) where: Base-Base interactions energy: -260.258 where: short stacking energy: -146.198 Base-Backbone interact. energy: 0.268 local terms energy: -244.826945 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -63.538 flat angles C4'-P-C4' energy: -52.877 flat angles P-C4'-P energy: -38.270 tors. eta vs tors. theta energy: -23.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -428.145256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.145256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.145256 (E_RNA) where: Base-Base interactions energy: -229.363 where: short stacking energy: -113.030 Base-Backbone interact. energy: -1.718 local terms energy: -197.064153 where: bonds (distance) C4'-P energy: -54.007 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -60.759 flat angles P-C4'-P energy: -28.316 tors. eta vs tors. theta energy: 4.175 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: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -270.032726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.032726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.032726 (E_RNA) where: Base-Base interactions energy: -97.420 where: short stacking energy: -79.855 Base-Backbone interact. energy: 9.101 local terms energy: -181.714036 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -57.402 flat angles P-C4'-P energy: -14.013 tors. eta vs tors. theta energy: 23.744 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: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1264.000856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.000856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.000856 (E_RNA) where: Base-Base interactions energy: -888.946 where: short stacking energy: -340.423 Base-Backbone interact. energy: -1.886 local terms energy: -373.168789 where: bonds (distance) C4'-P energy: -62.741 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -83.324 flat angles P-C4'-P energy: -49.576 tors. eta vs tors. theta energy: -104.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1221.610300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.610300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.610300 (E_RNA) where: Base-Base interactions energy: -840.969 where: short stacking energy: -356.357 Base-Backbone interact. energy: 1.084 local terms energy: -381.725343 where: bonds (distance) C4'-P energy: -71.167 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: -110.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1141.854888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.854888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.854888 (E_RNA) where: Base-Base interactions energy: -780.186 where: short stacking energy: -316.985 Base-Backbone interact. energy: -2.612 local terms energy: -359.056443 where: bonds (distance) C4'-P energy: -63.515 bonds (distance) P-C4' energy: -67.069 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: -97.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1064.449601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.449601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.449601 (E_RNA) where: Base-Base interactions energy: -728.069 where: short stacking energy: -329.851 Base-Backbone interact. energy: -1.281 local terms energy: -335.099447 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -59.551 flat angles C4'-P-C4' energy: -76.205 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -91.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -936.391028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.391028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.391028 (E_RNA) where: Base-Base interactions energy: -625.268 where: short stacking energy: -274.960 Base-Backbone interact. energy: -0.136 local terms energy: -310.987574 where: bonds (distance) C4'-P energy: -67.763 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -74.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -842.478883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.478883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.478883 (E_RNA) where: Base-Base interactions energy: -569.674 where: short stacking energy: -245.108 Base-Backbone interact. energy: -3.078 local terms energy: -269.726690 where: bonds (distance) C4'-P energy: -59.281 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -57.481 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -56.043 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: 7, replica: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -650.499076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.499076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.499076 (E_RNA) where: Base-Base interactions energy: -368.688 where: short stacking energy: -199.785 Base-Backbone interact. energy: 2.018 local terms energy: -283.829208 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -67.016 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -39.097 tors. eta vs tors. theta energy: -56.301 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: 242 Temperature: 1.250000 Total energy: -496.054799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.054799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.054799 (E_RNA) where: Base-Base interactions energy: -270.320 where: short stacking energy: -156.903 Base-Backbone interact. energy: 0.017 local terms energy: -225.751970 where: bonds (distance) C4'-P energy: -48.984 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -51.848 flat angles P-C4'-P energy: -29.367 tors. eta vs tors. theta energy: -29.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -324.000800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.000800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.000800 (E_RNA) where: Base-Base interactions energy: -100.553 where: short stacking energy: -95.869 Base-Backbone interact. energy: 3.053 local terms energy: -226.500867 where: bonds (distance) C4'-P energy: -63.384 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -59.220 flat angles P-C4'-P energy: -31.302 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -346.100139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.100139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.100139 (E_RNA) where: Base-Base interactions energy: -147.923 where: short stacking energy: -96.413 Base-Backbone interact. energy: -1.015 local terms energy: -197.162442 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -63.838 flat angles C4'-P-C4' energy: -42.883 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: 4.506 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: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1246.498434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.498434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.498434 (E_RNA) where: Base-Base interactions energy: -876.869 where: short stacking energy: -346.032 Base-Backbone interact. energy: -0.979 local terms energy: -368.650305 where: bonds (distance) C4'-P energy: -71.730 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -100.548 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: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1228.104311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.104311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.104311 (E_RNA) where: Base-Base interactions energy: -840.858 where: short stacking energy: -350.786 Base-Backbone interact. energy: -0.916 local terms energy: -386.330138 where: bonds (distance) C4'-P energy: -75.680 bonds (distance) P-C4' energy: -68.140 flat angles C4'-P-C4' energy: -75.871 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -112.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1144.415716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.415716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.415716 (E_RNA) where: Base-Base interactions energy: -764.331 where: short stacking energy: -322.035 Base-Backbone interact. energy: -3.839 local terms energy: -376.246120 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -77.660 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -54.754 tors. eta vs tors. theta energy: -92.779 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: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1071.414804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.414804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.414804 (E_RNA) where: Base-Base interactions energy: -726.101 where: short stacking energy: -301.190 Base-Backbone interact. energy: -0.938 local terms energy: -344.376356 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -67.474 flat angles C4'-P-C4' energy: -79.470 flat angles P-C4'-P energy: -40.553 tors. eta vs tors. theta energy: -86.721 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: 243 Temperature: 1.100000 Total energy: -934.832837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.832837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.832837 (E_RNA) where: Base-Base interactions energy: -617.092 where: short stacking energy: -250.215 Base-Backbone interact. energy: -1.486 local terms energy: -316.254214 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -73.198 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -63.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -843.935755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.935755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.935755 (E_RNA) where: Base-Base interactions energy: -538.821 where: short stacking energy: -234.055 Base-Backbone interact. energy: -1.200 local terms energy: -303.914389 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -77.331 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -44.205 tors. eta vs tors. theta energy: -53.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -656.662451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.662451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.662451 (E_RNA) where: Base-Base interactions energy: -380.517 where: short stacking energy: -201.440 Base-Backbone interact. energy: 0.571 local terms energy: -276.716662 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -65.490 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -44.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -503.644326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.644326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.644326 (E_RNA) where: Base-Base interactions energy: -276.440 where: short stacking energy: -145.113 Base-Backbone interact. energy: -1.423 local terms energy: -225.780832 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -54.692 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -12.045 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: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -305.768692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.768692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.768692 (E_RNA) where: Base-Base interactions energy: -97.836 where: short stacking energy: -85.723 Base-Backbone interact. energy: -6.850 local terms energy: -201.082058 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -50.420 flat angles P-C4'-P energy: -27.809 tors. eta vs tors. theta energy: 8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -329.838677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.838677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.838677 (E_RNA) where: Base-Base interactions energy: -132.104 where: short stacking energy: -76.883 Base-Backbone interact. energy: -2.983 local terms energy: -194.751074 where: bonds (distance) C4'-P energy: -58.273 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -52.648 flat angles P-C4'-P energy: -34.817 tors. eta vs tors. theta energy: 11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1245.450539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.450539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.450539 (E_RNA) where: Base-Base interactions energy: -871.292 where: short stacking energy: -350.182 Base-Backbone interact. energy: -5.535 local terms energy: -368.623493 where: bonds (distance) C4'-P energy: -76.653 bonds (distance) P-C4' energy: -72.592 flat angles C4'-P-C4' energy: -79.306 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -95.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1206.398198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.398198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.398198 (E_RNA) where: Base-Base interactions energy: -858.264 where: short stacking energy: -358.043 Base-Backbone interact. energy: -0.745 local terms energy: -347.390077 where: bonds (distance) C4'-P energy: -56.101 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -72.930 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -104.627 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: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1153.115641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.115641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.115641 (E_RNA) where: Base-Base interactions energy: -784.447 where: short stacking energy: -316.027 Base-Backbone interact. energy: -0.094 local terms energy: -368.574322 where: bonds (distance) C4'-P energy: -75.125 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -47.284 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: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1029.339964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.339964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.339964 (E_RNA) where: Base-Base interactions energy: -682.734 where: short stacking energy: -299.145 Base-Backbone interact. energy: -2.011 local terms energy: -344.594621 where: bonds (distance) C4'-P energy: -68.428 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -76.761 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -91.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -936.367776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.367776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.367776 (E_RNA) where: Base-Base interactions energy: -608.194 where: short stacking energy: -270.376 Base-Backbone interact. energy: -1.928 local terms energy: -326.245259 where: bonds (distance) C4'-P energy: -75.358 bonds (distance) P-C4' energy: -64.949 flat angles C4'-P-C4' energy: -66.650 flat angles P-C4'-P energy: -48.375 tors. eta vs tors. theta energy: -70.913 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -870.288993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.288993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.288993 (E_RNA) where: Base-Base interactions energy: -559.674 where: short stacking energy: -258.197 Base-Backbone interact. energy: -1.800 local terms energy: -308.814437 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -67.585 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -63.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -665.717486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.717486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.717486 (E_RNA) where: Base-Base interactions energy: -373.674 where: short stacking energy: -196.635 Base-Backbone interact. energy: -2.081 local terms energy: -289.962766 where: bonds (distance) C4'-P energy: -55.430 bonds (distance) P-C4' energy: -74.253 flat angles C4'-P-C4' energy: -64.170 flat angles P-C4'-P energy: -49.038 tors. eta vs tors. theta energy: -47.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -484.611079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.611079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.611079 (E_RNA) where: Base-Base interactions energy: -251.104 where: short stacking energy: -137.747 Base-Backbone interact. energy: 1.847 local terms energy: -235.354180 where: bonds (distance) C4'-P energy: -47.140 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -40.627 tors. eta vs tors. theta energy: -13.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -318.894631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.894631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.894631 (E_RNA) where: Base-Base interactions energy: -108.607 where: short stacking energy: -72.667 Base-Backbone interact. energy: 0.328 local terms energy: -210.615684 where: bonds (distance) C4'-P energy: -60.492 bonds (distance) P-C4' energy: -71.058 flat angles C4'-P-C4' energy: -52.772 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: 13.188 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: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -329.121418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.121418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.121418 (E_RNA) where: Base-Base interactions energy: -123.039 where: short stacking energy: -84.510 Base-Backbone interact. energy: 1.161 local terms energy: -207.242828 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -29.883 tors. eta vs tors. theta energy: 5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1246.656504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.656504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.656504 (E_RNA) where: Base-Base interactions energy: -878.983 where: short stacking energy: -345.397 Base-Backbone interact. energy: -1.272 local terms energy: -366.401781 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -68.380 flat angles C4'-P-C4' energy: -84.108 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1213.657266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.657266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.657266 (E_RNA) where: Base-Base interactions energy: -838.693 where: short stacking energy: -355.232 Base-Backbone interact. energy: -0.976 local terms energy: -373.988067 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -55.527 flat angles C4'-P-C4' energy: -84.159 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -110.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1163.832542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.832542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.832542 (E_RNA) where: Base-Base interactions energy: -804.393 where: short stacking energy: -336.325 Base-Backbone interact. energy: -2.820 local terms energy: -356.619597 where: bonds (distance) C4'-P energy: -67.415 bonds (distance) P-C4' energy: -69.707 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -51.029 tors. eta vs tors. theta energy: -96.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1015.293443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.293443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.293443 (E_RNA) where: Base-Base interactions energy: -696.818 where: short stacking energy: -304.265 Base-Backbone interact. energy: -0.533 local terms energy: -317.942243 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -69.381 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -78.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -948.457220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.457220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.457220 (E_RNA) where: Base-Base interactions energy: -634.032 where: short stacking energy: -285.749 Base-Backbone interact. energy: 0.281 local terms energy: -314.705783 where: bonds (distance) C4'-P energy: -55.787 bonds (distance) P-C4' energy: -56.624 flat angles C4'-P-C4' energy: -74.214 flat angles P-C4'-P energy: -42.146 tors. eta vs tors. theta energy: -85.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -834.681200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.681200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.681200 (E_RNA) where: Base-Base interactions energy: -534.931 where: short stacking energy: -233.863 Base-Backbone interact. energy: 0.020 local terms energy: -299.769840 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -65.045 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -49.490 tors. eta vs tors. theta energy: -55.918 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: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -658.302976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.302976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.302976 (E_RNA) where: Base-Base interactions energy: -410.155 where: short stacking energy: -188.145 Base-Backbone interact. energy: 0.580 local terms energy: -248.727755 where: bonds (distance) C4'-P energy: -67.104 bonds (distance) P-C4' energy: -52.118 flat angles C4'-P-C4' energy: -68.193 flat angles P-C4'-P energy: -27.269 tors. eta vs tors. theta energy: -34.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -495.176500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.176500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.176500 (E_RNA) where: Base-Base interactions energy: -244.778 where: short stacking energy: -133.924 Base-Backbone interact. energy: -1.503 local terms energy: -248.896377 where: bonds (distance) C4'-P energy: -68.477 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -59.599 flat angles P-C4'-P energy: -43.844 tors. eta vs tors. theta energy: -11.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -382.729043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.729043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.729043 (E_RNA) where: Base-Base interactions energy: -192.177 where: short stacking energy: -105.360 Base-Backbone interact. energy: 1.023 local terms energy: -191.574695 where: bonds (distance) C4'-P energy: -57.806 bonds (distance) P-C4' energy: -49.476 flat angles C4'-P-C4' energy: -44.866 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -336.878746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.878746 (E_RNA) where: Base-Base interactions energy: -144.272 where: short stacking energy: -87.291 Base-Backbone interact. energy: -0.272 local terms energy: -192.334609 where: bonds (distance) C4'-P energy: -62.132 bonds (distance) P-C4' energy: -49.634 flat angles C4'-P-C4' energy: -56.767 flat angles P-C4'-P energy: -35.512 tors. eta vs tors. theta energy: 11.711 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: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1267.179890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.179890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.179890 (E_RNA) where: Base-Base interactions energy: -891.760 where: short stacking energy: -360.283 Base-Backbone interact. energy: -0.964 local terms energy: -374.455031 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -77.980 flat angles P-C4'-P energy: -38.219 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: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1223.525940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.525940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.525940 (E_RNA) where: Base-Base interactions energy: -837.477 where: short stacking energy: -349.878 Base-Backbone interact. energy: -0.675 local terms energy: -385.374011 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -71.195 flat angles C4'-P-C4' energy: -83.424 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -111.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1141.786457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.786457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.786457 (E_RNA) where: Base-Base interactions energy: -766.332 where: short stacking energy: -313.783 Base-Backbone interact. energy: -2.915 local terms energy: -372.539844 where: bonds (distance) C4'-P energy: -72.911 bonds (distance) P-C4' energy: -76.890 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -88.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1049.393559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.393559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.393559 (E_RNA) where: Base-Base interactions energy: -719.992 where: short stacking energy: -317.826 Base-Backbone interact. energy: -0.398 local terms energy: -329.003851 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -68.159 flat angles C4'-P-C4' energy: -66.677 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -84.917 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: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -950.035806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.035806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.035806 (E_RNA) where: Base-Base interactions energy: -608.214 where: short stacking energy: -268.748 Base-Backbone interact. energy: -0.920 local terms energy: -340.900947 where: bonds (distance) C4'-P energy: -68.640 bonds (distance) P-C4' energy: -72.258 flat angles C4'-P-C4' energy: -73.662 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -79.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -888.605502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.605502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.605502 (E_RNA) where: Base-Base interactions energy: -571.009 where: short stacking energy: -254.483 Base-Backbone interact. energy: -1.189 local terms energy: -316.406820 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -67.320 flat angles C4'-P-C4' energy: -69.687 flat angles P-C4'-P energy: -42.770 tors. eta vs tors. theta energy: -74.971 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: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -687.556336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.556336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.556336 (E_RNA) where: Base-Base interactions energy: -404.247 where: short stacking energy: -195.406 Base-Backbone interact. energy: -1.806 local terms energy: -281.503274 where: bonds (distance) C4'-P energy: -65.592 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -72.877 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -41.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -496.486210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.486210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.486210 (E_RNA) where: Base-Base interactions energy: -246.959 where: short stacking energy: -127.871 Base-Backbone interact. energy: -0.114 local terms energy: -249.413421 where: bonds (distance) C4'-P energy: -66.427 bonds (distance) P-C4' energy: -63.579 flat angles C4'-P-C4' energy: -51.091 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -17.009 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: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -406.314736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.314736 (E_RNA) where: Base-Base interactions energy: -189.973 where: short stacking energy: -109.822 Base-Backbone interact. energy: 1.345 local terms energy: -217.686413 where: bonds (distance) C4'-P energy: -51.147 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -55.030 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -308.327118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.327118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.327118 (E_RNA) where: Base-Base interactions energy: -130.956 where: short stacking energy: -83.116 Base-Backbone interact. energy: 1.720 local terms energy: -179.090728 where: bonds (distance) C4'-P energy: -45.989 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -58.611 flat angles P-C4'-P energy: -25.737 tors. eta vs tors. theta energy: 19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1240.125887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.125887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.125887 (E_RNA) where: Base-Base interactions energy: -868.546 where: short stacking energy: -340.429 Base-Backbone interact. energy: 3.091 local terms energy: -374.671194 where: bonds (distance) C4'-P energy: -62.923 bonds (distance) P-C4' energy: -77.949 flat angles C4'-P-C4' energy: -83.587 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -103.145 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: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1238.290667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.290667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.290667 (E_RNA) where: Base-Base interactions energy: -860.520 where: short stacking energy: -372.050 Base-Backbone interact. energy: 0.026 local terms energy: -377.796967 where: bonds (distance) C4'-P energy: -71.669 bonds (distance) P-C4' energy: -69.502 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -108.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1172.899757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.899757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.899757 (E_RNA) where: Base-Base interactions energy: -804.142 where: short stacking energy: -334.458 Base-Backbone interact. energy: 1.651 local terms energy: -370.408664 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -67.868 flat angles C4'-P-C4' energy: -76.368 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -100.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1037.636914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.636914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.636914 (E_RNA) where: Base-Base interactions energy: -696.628 where: short stacking energy: -297.611 Base-Backbone interact. energy: 0.517 local terms energy: -341.525003 where: bonds (distance) C4'-P energy: -54.993 bonds (distance) P-C4' energy: -80.315 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -84.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -930.479288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.479288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.479288 (E_RNA) where: Base-Base interactions energy: -614.353 where: short stacking energy: -276.271 Base-Backbone interact. energy: -0.473 local terms energy: -315.652702 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -80.256 flat angles P-C4'-P energy: -37.587 tors. eta vs tors. theta energy: -73.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -868.744559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.744559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.744559 (E_RNA) where: Base-Base interactions energy: -551.804 where: short stacking energy: -252.466 Base-Backbone interact. energy: -0.499 local terms energy: -316.441742 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -70.222 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -62.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -684.457964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.457964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.457964 (E_RNA) where: Base-Base interactions energy: -410.833 where: short stacking energy: -211.530 Base-Backbone interact. energy: -1.139 local terms energy: -272.485749 where: bonds (distance) C4'-P energy: -47.818 bonds (distance) P-C4' energy: -68.072 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -46.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -512.377012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.377012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.377012 (E_RNA) where: Base-Base interactions energy: -275.352 where: short stacking energy: -148.458 Base-Backbone interact. energy: -1.455 local terms energy: -235.569488 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -59.059 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -346.341100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.341100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.341100 (E_RNA) where: Base-Base interactions energy: -155.680 where: short stacking energy: -81.298 Base-Backbone interact. energy: 1.576 local terms energy: -192.237486 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -69.472 flat angles C4'-P-C4' energy: -56.182 flat angles P-C4'-P energy: -29.360 tors. eta vs tors. theta energy: 17.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -330.338605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.338605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.338605 (E_RNA) where: Base-Base interactions energy: -149.176 where: short stacking energy: -102.256 Base-Backbone interact. energy: -1.365 local terms energy: -179.797064 where: bonds (distance) C4'-P energy: -46.047 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -20.210 tors. eta vs tors. theta energy: 3.324 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: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1242.447234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.447234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.447234 (E_RNA) where: Base-Base interactions energy: -871.942 where: short stacking energy: -343.254 Base-Backbone interact. energy: 0.331 local terms energy: -370.836799 where: bonds (distance) C4'-P energy: -70.590 bonds (distance) P-C4' energy: -79.096 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -105.352 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: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1237.008359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.008359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.008359 (E_RNA) where: Base-Base interactions energy: -845.460 where: short stacking energy: -367.781 Base-Backbone interact. energy: 5.018 local terms energy: -396.565664 where: bonds (distance) C4'-P energy: -63.957 bonds (distance) P-C4' energy: -75.276 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -117.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1137.205152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.205152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.205152 (E_RNA) where: Base-Base interactions energy: -766.610 where: short stacking energy: -322.921 Base-Backbone interact. energy: -3.582 local terms energy: -367.012470 where: bonds (distance) C4'-P energy: -61.037 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -80.173 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -99.329 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: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1017.434676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.434676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.434676 (E_RNA) where: Base-Base interactions energy: -685.998 where: short stacking energy: -306.592 Base-Backbone interact. energy: 6.414 local terms energy: -337.850975 where: bonds (distance) C4'-P energy: -66.175 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -82.202 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -84.754 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: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -913.041794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.041794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.041794 (E_RNA) where: Base-Base interactions energy: -598.027 where: short stacking energy: -252.341 Base-Backbone interact. energy: -0.394 local terms energy: -314.620977 where: bonds (distance) C4'-P energy: -63.424 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -69.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -878.698274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.698274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.698274 (E_RNA) where: Base-Base interactions energy: -585.728 where: short stacking energy: -245.054 Base-Backbone interact. energy: 3.686 local terms energy: -296.656743 where: bonds (distance) C4'-P energy: -47.412 bonds (distance) P-C4' energy: -70.029 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -61.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -656.584332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.584332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.584332 (E_RNA) where: Base-Base interactions energy: -397.386 where: short stacking energy: -192.272 Base-Backbone interact. energy: -0.810 local terms energy: -258.388194 where: bonds (distance) C4'-P energy: -64.411 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -54.111 flat angles P-C4'-P energy: -32.211 tors. eta vs tors. theta energy: -34.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -496.771312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.771312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.771312 (E_RNA) where: Base-Base interactions energy: -258.306 where: short stacking energy: -143.999 Base-Backbone interact. energy: 2.079 local terms energy: -240.544668 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -67.556 flat angles C4'-P-C4' energy: -64.142 flat angles P-C4'-P energy: -44.421 tors. eta vs tors. theta energy: -6.150 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: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -325.965003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.965003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.965003 (E_RNA) where: Base-Base interactions energy: -123.298 where: short stacking energy: -97.528 Base-Backbone interact. energy: 4.925 local terms energy: -207.592041 where: bonds (distance) C4'-P energy: -64.051 bonds (distance) P-C4' energy: -74.857 flat angles C4'-P-C4' energy: -33.590 flat angles P-C4'-P energy: -38.659 tors. eta vs tors. theta energy: 3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -336.995526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.995526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.995526 (E_RNA) where: Base-Base interactions energy: -126.707 where: short stacking energy: -78.306 Base-Backbone interact. energy: 2.979 local terms energy: -213.266710 where: bonds (distance) C4'-P energy: -53.769 bonds (distance) P-C4' energy: -71.219 flat angles C4'-P-C4' energy: -40.709 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -4.884 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: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1210.165348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.165348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.165348 (E_RNA) where: Base-Base interactions energy: -852.053 where: short stacking energy: -333.840 Base-Backbone interact. energy: -1.371 local terms energy: -356.741126 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -67.984 flat angles P-C4'-P energy: -41.384 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: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1222.085149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.085149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.085149 (E_RNA) where: Base-Base interactions energy: -840.109 where: short stacking energy: -365.840 Base-Backbone interact. energy: -1.211 local terms energy: -380.765976 where: bonds (distance) C4'-P energy: -67.498 bonds (distance) P-C4' energy: -71.953 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -114.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1144.791847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.791847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.791847 (E_RNA) where: Base-Base interactions energy: -792.564 where: short stacking energy: -326.482 Base-Backbone interact. energy: -1.432 local terms energy: -350.796042 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -68.580 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -50.986 tors. eta vs tors. theta energy: -92.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1019.946186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.946186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.946186 (E_RNA) where: Base-Base interactions energy: -677.651 where: short stacking energy: -281.454 Base-Backbone interact. energy: -1.091 local terms energy: -341.203830 where: bonds (distance) C4'-P energy: -70.839 bonds (distance) P-C4' energy: -73.172 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -29.930 tors. eta vs tors. theta energy: -84.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -932.747234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.747234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.747234 (E_RNA) where: Base-Base interactions energy: -634.011 where: short stacking energy: -300.096 Base-Backbone interact. energy: 0.993 local terms energy: -299.729081 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -45.877 flat angles C4'-P-C4' energy: -75.281 flat angles P-C4'-P energy: -46.252 tors. eta vs tors. theta energy: -72.104 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: 249 Temperature: 1.150000 Total energy: -871.806667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.806667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.806667 (E_RNA) where: Base-Base interactions energy: -562.704 where: short stacking energy: -253.473 Base-Backbone interact. energy: -2.632 local terms energy: -306.470764 where: bonds (distance) C4'-P energy: -66.670 bonds (distance) P-C4' energy: -61.761 flat angles C4'-P-C4' energy: -70.977 flat angles P-C4'-P energy: -40.772 tors. eta vs tors. theta energy: -66.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -638.450176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.450176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.450176 (E_RNA) where: Base-Base interactions energy: -384.251 where: short stacking energy: -169.981 Base-Backbone interact. energy: -0.019 local terms energy: -254.180367 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -63.828 flat angles C4'-P-C4' energy: -62.186 flat angles P-C4'-P energy: -40.988 tors. eta vs tors. theta energy: -31.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -502.598222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.598222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.598222 (E_RNA) where: Base-Base interactions energy: -275.048 where: short stacking energy: -151.333 Base-Backbone interact. energy: 0.005 local terms energy: -227.555854 where: bonds (distance) C4'-P energy: -55.662 bonds (distance) P-C4' energy: -54.832 flat angles C4'-P-C4' energy: -56.344 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -18.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -300.346324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.346324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.346324 (E_RNA) where: Base-Base interactions energy: -106.541 where: short stacking energy: -87.702 Base-Backbone interact. energy: -0.395 local terms energy: -193.410473 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -69.993 flat angles C4'-P-C4' energy: -45.437 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: 4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -368.463884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.463884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.463884 (E_RNA) where: Base-Base interactions energy: -176.068 where: short stacking energy: -105.106 Base-Backbone interact. energy: -0.324 local terms energy: -192.071572 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -66.251 flat angles C4'-P-C4' energy: -42.591 flat angles P-C4'-P energy: -35.783 tors. eta vs tors. theta energy: 7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1251.901588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.901588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.901588 (E_RNA) where: Base-Base interactions energy: -863.587 where: short stacking energy: -376.244 Base-Backbone interact. energy: -2.608 local terms energy: -385.706428 where: bonds (distance) C4'-P energy: -68.729 bonds (distance) P-C4' energy: -72.648 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -44.922 tors. eta vs tors. theta energy: -114.328 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: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1206.106625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.106625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.106625 (E_RNA) where: Base-Base interactions energy: -848.071 where: short stacking energy: -340.778 Base-Backbone interact. energy: 1.674 local terms energy: -359.709458 where: bonds (distance) C4'-P energy: -70.227 bonds (distance) P-C4' energy: -70.394 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -99.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1148.688090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.688090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.688090 (E_RNA) where: Base-Base interactions energy: -778.122 where: short stacking energy: -320.415 Base-Backbone interact. energy: -1.339 local terms energy: -369.226593 where: bonds (distance) C4'-P energy: -76.307 bonds (distance) P-C4' energy: -70.888 flat angles C4'-P-C4' energy: -84.341 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: -89.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1025.310298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.310298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.310298 (E_RNA) where: Base-Base interactions energy: -669.636 where: short stacking energy: -326.078 Base-Backbone interact. energy: -1.636 local terms energy: -354.037912 where: bonds (distance) C4'-P energy: -64.301 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -72.547 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -85.506 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: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -899.828013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.828013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.828013 (E_RNA) where: Base-Base interactions energy: -600.585 where: short stacking energy: -237.653 Base-Backbone interact. energy: -2.139 local terms energy: -297.103944 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -76.528 flat angles C4'-P-C4' energy: -61.261 flat angles P-C4'-P energy: -46.988 tors. eta vs tors. theta energy: -52.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -930.009471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.009471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.009471 (E_RNA) where: Base-Base interactions energy: -621.302 where: short stacking energy: -263.472 Base-Backbone interact. energy: -0.841 local terms energy: -307.866171 where: bonds (distance) C4'-P energy: -55.302 bonds (distance) P-C4' energy: -63.274 flat angles C4'-P-C4' energy: -72.638 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -75.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -637.089904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.089904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.089904 (E_RNA) where: Base-Base interactions energy: -373.039 where: short stacking energy: -181.492 Base-Backbone interact. energy: -1.671 local terms energy: -262.380281 where: bonds (distance) C4'-P energy: -61.768 bonds (distance) P-C4' energy: -64.293 flat angles C4'-P-C4' energy: -75.822 flat angles P-C4'-P energy: -21.340 tors. eta vs tors. theta energy: -39.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -498.534173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.534173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.534173 (E_RNA) where: Base-Base interactions energy: -262.269 where: short stacking energy: -131.163 Base-Backbone interact. energy: -1.340 local terms energy: -234.924587 where: bonds (distance) C4'-P energy: -61.762 bonds (distance) P-C4' energy: -74.244 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -29.710 tors. eta vs tors. theta energy: -7.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -396.653846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.653846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.653846 (E_RNA) where: Base-Base interactions energy: -178.786 where: short stacking energy: -127.652 Base-Backbone interact. energy: -1.228 local terms energy: -216.639921 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -30.556 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -303.005316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.005316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.005316 (E_RNA) where: Base-Base interactions energy: -104.428 where: short stacking energy: -75.313 Base-Backbone interact. energy: -2.211 local terms energy: -196.365840 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -60.762 flat angles C4'-P-C4' energy: -56.856 flat angles P-C4'-P energy: -22.990 tors. eta vs tors. theta energy: 4.369 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1227.548024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.548024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.548024 (E_RNA) where: Base-Base interactions energy: -857.336 where: short stacking energy: -362.191 Base-Backbone interact. energy: -2.346 local terms energy: -367.865756 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -72.147 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -108.049 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: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1195.204647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.204647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.204647 (E_RNA) where: Base-Base interactions energy: -853.710 where: short stacking energy: -346.005 Base-Backbone interact. energy: -1.560 local terms energy: -339.935305 where: bonds (distance) C4'-P energy: -69.233 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: -96.780 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: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1151.350426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.350426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.350426 (E_RNA) where: Base-Base interactions energy: -780.131 where: short stacking energy: -312.066 Base-Backbone interact. energy: 1.476 local terms energy: -372.695512 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -79.791 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -88.983 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: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1004.058840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.058840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.058840 (E_RNA) where: Base-Base interactions energy: -662.634 where: short stacking energy: -266.208 Base-Backbone interact. energy: -0.829 local terms energy: -340.596027 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -64.947 flat angles C4'-P-C4' energy: -68.250 flat angles P-C4'-P energy: -56.504 tors. eta vs tors. theta energy: -84.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -979.686848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.686848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.686848 (E_RNA) where: Base-Base interactions energy: -650.171 where: short stacking energy: -285.002 Base-Backbone interact. energy: -1.473 local terms energy: -328.042671 where: bonds (distance) C4'-P energy: -52.590 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -74.951 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -79.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -906.986433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.986433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.986433 (E_RNA) where: Base-Base interactions energy: -596.121 where: short stacking energy: -242.834 Base-Backbone interact. energy: 4.631 local terms energy: -315.496590 where: bonds (distance) C4'-P energy: -62.581 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -71.575 flat angles P-C4'-P energy: -53.331 tors. eta vs tors. theta energy: -61.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -660.932814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.932814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.932814 (E_RNA) where: Base-Base interactions energy: -380.985 where: short stacking energy: -193.092 Base-Backbone interact. energy: -1.960 local terms energy: -277.987701 where: bonds (distance) C4'-P energy: -56.394 bonds (distance) P-C4' energy: -71.401 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -33.739 tors. eta vs tors. theta energy: -51.083 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: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -518.085629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.085629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.085629 (E_RNA) where: Base-Base interactions energy: -258.431 where: short stacking energy: -156.115 Base-Backbone interact. energy: -1.729 local terms energy: -257.925576 where: bonds (distance) C4'-P energy: -62.192 bonds (distance) P-C4' energy: -60.002 flat angles C4'-P-C4' energy: -63.374 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -33.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -379.543060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.543060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.543060 (E_RNA) where: Base-Base interactions energy: -166.855 where: short stacking energy: -115.443 Base-Backbone interact. energy: -1.386 local terms energy: -211.301325 where: bonds (distance) C4'-P energy: -69.561 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -57.056 flat angles P-C4'-P energy: -17.964 tors. eta vs tors. theta energy: -2.562 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: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -320.456010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.456010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.456010 (E_RNA) where: Base-Base interactions energy: -125.773 where: short stacking energy: -83.616 Base-Backbone interact. energy: -2.382 local terms energy: -192.300653 where: bonds (distance) C4'-P energy: -59.352 bonds (distance) P-C4' energy: -54.686 flat angles C4'-P-C4' energy: -53.481 flat angles P-C4'-P energy: -33.148 tors. eta vs tors. theta energy: 8.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1239.830976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.830976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.830976 (E_RNA) where: Base-Base interactions energy: -858.142 where: short stacking energy: -356.503 Base-Backbone interact. energy: 0.642 local terms energy: -382.331219 where: bonds (distance) C4'-P energy: -73.213 bonds (distance) P-C4' energy: -73.627 flat angles C4'-P-C4' energy: -72.192 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -106.669 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: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1174.018415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.018415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.018415 (E_RNA) where: Base-Base interactions energy: -812.878 where: short stacking energy: -338.592 Base-Backbone interact. energy: 1.278 local terms energy: -362.417811 where: bonds (distance) C4'-P energy: -70.022 bonds (distance) P-C4' energy: -75.181 flat angles C4'-P-C4' energy: -76.578 flat angles P-C4'-P energy: -43.834 tors. eta vs tors. theta energy: -96.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1133.325831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.325831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.325831 (E_RNA) where: Base-Base interactions energy: -787.328 where: short stacking energy: -331.310 Base-Backbone interact. energy: 0.893 local terms energy: -346.890292 where: bonds (distance) C4'-P energy: -58.846 bonds (distance) P-C4' energy: -68.346 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -59.569 tors. eta vs tors. theta energy: -91.912 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: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1009.765294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.765294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.765294 (E_RNA) where: Base-Base interactions energy: -637.250 where: short stacking energy: -286.992 Base-Backbone interact. energy: -1.165 local terms energy: -371.350089 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -80.491 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -99.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -978.651362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.651362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.651362 (E_RNA) where: Base-Base interactions energy: -641.491 where: short stacking energy: -274.315 Base-Backbone interact. energy: -1.248 local terms energy: -335.912300 where: bonds (distance) C4'-P energy: -79.707 bonds (distance) P-C4' energy: -74.722 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -64.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -887.312934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.312934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.312934 (E_RNA) where: Base-Base interactions energy: -577.224 where: short stacking energy: -252.064 Base-Backbone interact. energy: -1.149 local terms energy: -308.939995 where: bonds (distance) C4'-P energy: -75.074 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -63.100 flat angles P-C4'-P energy: -37.843 tors. eta vs tors. theta energy: -65.212 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -693.921736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.921736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.921736 (E_RNA) where: Base-Base interactions energy: -409.996 where: short stacking energy: -195.018 Base-Backbone interact. energy: 1.832 local terms energy: -285.757335 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -49.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -513.862121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.862121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.862121 (E_RNA) where: Base-Base interactions energy: -254.016 where: short stacking energy: -138.297 Base-Backbone interact. energy: -0.902 local terms energy: -258.944201 where: bonds (distance) C4'-P energy: -55.666 bonds (distance) P-C4' energy: -71.398 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -45.481 tors. eta vs tors. theta energy: -18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -399.979296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.979296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.979296 (E_RNA) where: Base-Base interactions energy: -204.306 where: short stacking energy: -121.976 Base-Backbone interact. energy: -1.131 local terms energy: -194.543004 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -54.166 flat angles C4'-P-C4' energy: -43.440 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -285.483942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.483942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.483942 (E_RNA) where: Base-Base interactions energy: -84.126 where: short stacking energy: -72.463 Base-Backbone interact. energy: -0.598 local terms energy: -200.760071 where: bonds (distance) C4'-P energy: -53.201 bonds (distance) P-C4' energy: -75.663 flat angles C4'-P-C4' energy: -53.388 flat angles P-C4'-P energy: -29.046 tors. eta vs tors. theta energy: 10.538 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: 253 Temperature: 0.900000 Total energy: -1260.047871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.047871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.047871 (E_RNA) where: Base-Base interactions energy: -868.384 where: short stacking energy: -364.011 Base-Backbone interact. energy: -3.084 local terms energy: -388.579339 where: bonds (distance) C4'-P energy: -65.754 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -112.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1163.525765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.525765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.525765 (E_RNA) where: Base-Base interactions energy: -824.212 where: short stacking energy: -329.117 Base-Backbone interact. energy: 1.273 local terms energy: -340.587686 where: bonds (distance) C4'-P energy: -72.201 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: -100.327 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: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1150.476006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.476006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.476006 (E_RNA) where: Base-Base interactions energy: -786.129 where: short stacking energy: -333.857 Base-Backbone interact. energy: 0.807 local terms energy: -365.153899 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -72.700 flat angles C4'-P-C4' energy: -79.033 flat angles P-C4'-P energy: -49.849 tors. eta vs tors. theta energy: -101.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1028.086371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.086371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.086371 (E_RNA) where: Base-Base interactions energy: -693.706 where: short stacking energy: -285.677 Base-Backbone interact. energy: -0.577 local terms energy: -333.803411 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -79.172 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -85.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -950.268617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.268617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.268617 (E_RNA) where: Base-Base interactions energy: -640.581 where: short stacking energy: -283.645 Base-Backbone interact. energy: -0.774 local terms energy: -308.913198 where: bonds (distance) C4'-P energy: -47.800 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -68.847 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -78.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -865.556201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.556201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.556201 (E_RNA) where: Base-Base interactions energy: -562.205 where: short stacking energy: -242.635 Base-Backbone interact. energy: 2.482 local terms energy: -305.833347 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -65.833 flat angles C4'-P-C4' energy: -71.230 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -68.254 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: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -693.159063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.159063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.159063 (E_RNA) where: Base-Base interactions energy: -418.881 where: short stacking energy: -217.876 Base-Backbone interact. energy: 3.911 local terms energy: -278.189192 where: bonds (distance) C4'-P energy: -64.625 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -56.873 flat angles P-C4'-P energy: -49.323 tors. eta vs tors. theta energy: -37.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -504.478289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.478289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.478289 (E_RNA) where: Base-Base interactions energy: -270.446 where: short stacking energy: -138.953 Base-Backbone interact. energy: -0.735 local terms energy: -233.297553 where: bonds (distance) C4'-P energy: -64.142 bonds (distance) P-C4' energy: -72.106 flat angles C4'-P-C4' energy: -49.743 flat angles P-C4'-P energy: -38.552 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: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -385.511415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.511415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.511415 (E_RNA) where: Base-Base interactions energy: -161.988 where: short stacking energy: -97.484 Base-Backbone interact. energy: -0.771 local terms energy: -222.752659 where: bonds (distance) C4'-P energy: -48.171 bonds (distance) P-C4' energy: -71.062 flat angles C4'-P-C4' energy: -65.324 flat angles P-C4'-P energy: -31.103 tors. eta vs tors. theta energy: -7.092 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: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -311.702004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.702004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.702004 (E_RNA) where: Base-Base interactions energy: -111.715 where: short stacking energy: -66.910 Base-Backbone interact. energy: 0.107 local terms energy: -200.093564 where: bonds (distance) C4'-P energy: -56.727 bonds (distance) P-C4' energy: -66.050 flat angles C4'-P-C4' energy: -47.819 flat angles P-C4'-P energy: -29.193 tors. eta vs tors. theta energy: -0.305 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: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1198.595647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.595647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.595647 (E_RNA) where: Base-Base interactions energy: -839.118 where: short stacking energy: -325.181 Base-Backbone interact. energy: -4.072 local terms energy: -355.405580 where: bonds (distance) C4'-P energy: -71.136 bonds (distance) P-C4' energy: -71.140 flat angles C4'-P-C4' energy: -65.930 flat angles P-C4'-P energy: -51.098 tors. eta vs tors. theta energy: -96.101 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: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1218.565936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.565936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.565936 (E_RNA) where: Base-Base interactions energy: -843.112 where: short stacking energy: -359.164 Base-Backbone interact. energy: -0.590 local terms energy: -374.864291 where: bonds (distance) C4'-P energy: -66.797 bonds (distance) P-C4' energy: -67.591 flat angles C4'-P-C4' energy: -81.179 flat angles P-C4'-P energy: -48.705 tors. eta vs tors. theta energy: -110.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1142.009686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.009686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.009686 (E_RNA) where: Base-Base interactions energy: -792.943 where: short stacking energy: -318.135 Base-Backbone interact. energy: -4.566 local terms energy: -344.500682 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -51.816 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -95.022 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: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1011.663630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.663630 (E_RNA) where: Base-Base interactions energy: -655.937 where: short stacking energy: -279.064 Base-Backbone interact. energy: -0.460 local terms energy: -355.266751 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -83.927 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -90.237 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: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -988.612107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.612107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.612107 (E_RNA) where: Base-Base interactions energy: -649.091 where: short stacking energy: -273.904 Base-Backbone interact. energy: 0.128 local terms energy: -339.648546 where: bonds (distance) C4'-P energy: -73.135 bonds (distance) P-C4' energy: -76.161 flat angles C4'-P-C4' energy: -63.857 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -82.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -896.308039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.308039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.308039 (E_RNA) where: Base-Base interactions energy: -567.337 where: short stacking energy: -254.868 Base-Backbone interact. energy: -1.175 local terms energy: -327.795839 where: bonds (distance) C4'-P energy: -67.676 bonds (distance) P-C4' energy: -71.433 flat angles C4'-P-C4' energy: -76.460 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -74.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -734.880623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.880623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.880623 (E_RNA) where: Base-Base interactions energy: -462.431 where: short stacking energy: -198.432 Base-Backbone interact. energy: -0.052 local terms energy: -272.397705 where: bonds (distance) C4'-P energy: -61.385 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -42.057 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: 254 Temperature: 1.250000 Total energy: -493.858821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.858821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.858821 (E_RNA) where: Base-Base interactions energy: -249.078 where: short stacking energy: -144.794 Base-Backbone interact. energy: 0.611 local terms energy: -245.391595 where: bonds (distance) C4'-P energy: -72.131 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -51.759 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -15.187 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: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -422.194270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.194270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.194270 (E_RNA) where: Base-Base interactions energy: -205.609 where: short stacking energy: -121.205 Base-Backbone interact. energy: -0.465 local terms energy: -216.119911 where: bonds (distance) C4'-P energy: -53.062 bonds (distance) P-C4' energy: -64.518 flat angles C4'-P-C4' energy: -61.910 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: 2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -278.399678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.399678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.399678 (E_RNA) where: Base-Base interactions energy: -91.352 where: short stacking energy: -69.303 Base-Backbone interact. energy: -0.542 local terms energy: -186.506049 where: bonds (distance) C4'-P energy: -64.167 bonds (distance) P-C4' energy: -62.320 flat angles C4'-P-C4' energy: -61.504 flat angles P-C4'-P energy: -20.496 tors. eta vs tors. theta energy: 21.980 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: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1193.156920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.156920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.156920 (E_RNA) where: Base-Base interactions energy: -835.760 where: short stacking energy: -330.233 Base-Backbone interact. energy: -1.261 local terms energy: -356.135788 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -78.741 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -90.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1219.038654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.038654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.038654 (E_RNA) where: Base-Base interactions energy: -836.276 where: short stacking energy: -360.443 Base-Backbone interact. energy: -1.788 local terms energy: -380.974208 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -85.158 flat angles C4'-P-C4' energy: -76.665 flat angles P-C4'-P energy: -50.934 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1137.236343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.236343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.236343 (E_RNA) where: Base-Base interactions energy: -779.503 where: short stacking energy: -304.219 Base-Backbone interact. energy: -1.171 local terms energy: -356.562685 where: bonds (distance) C4'-P energy: -58.300 bonds (distance) P-C4' energy: -71.522 flat angles C4'-P-C4' energy: -74.824 flat angles P-C4'-P energy: -55.867 tors. eta vs tors. theta energy: -96.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1003.218521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.218521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.218521 (E_RNA) where: Base-Base interactions energy: -666.814 where: short stacking energy: -310.595 Base-Backbone interact. energy: -0.792 local terms energy: -335.612550 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -55.555 flat angles C4'-P-C4' energy: -79.531 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -87.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -972.900942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.900942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.900942 (E_RNA) where: Base-Base interactions energy: -641.018 where: short stacking energy: -265.781 Base-Backbone interact. energy: 3.678 local terms energy: -335.561133 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -65.242 flat angles C4'-P-C4' energy: -77.139 flat angles P-C4'-P energy: -44.353 tors. eta vs tors. theta energy: -84.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -882.420332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.420332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.420332 (E_RNA) where: Base-Base interactions energy: -578.886 where: short stacking energy: -247.850 Base-Backbone interact. energy: 2.044 local terms energy: -305.578728 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -74.565 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -66.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -728.252899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.252899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.252899 (E_RNA) where: Base-Base interactions energy: -457.680 where: short stacking energy: -216.821 Base-Backbone interact. energy: 0.637 local terms energy: -271.210076 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -55.835 flat angles C4'-P-C4' energy: -71.752 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -46.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -468.752441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.752441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.752441 (E_RNA) where: Base-Base interactions energy: -252.939 where: short stacking energy: -137.913 Base-Backbone interact. energy: -1.396 local terms energy: -214.417696 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -56.904 flat angles C4'-P-C4' energy: -52.178 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -426.707690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.707690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.707690 (E_RNA) where: Base-Base interactions energy: -172.847 where: short stacking energy: -113.044 Base-Backbone interact. energy: -1.312 local terms energy: -252.547893 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -62.638 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -310.679578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.679578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.679578 (E_RNA) where: Base-Base interactions energy: -120.385 where: short stacking energy: -82.684 Base-Backbone interact. energy: -1.361 local terms energy: -188.934139 where: bonds (distance) C4'-P energy: -57.154 bonds (distance) P-C4' energy: -64.766 flat angles C4'-P-C4' energy: -51.923 flat angles P-C4'-P energy: -34.453 tors. eta vs tors. theta energy: 19.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1228.901703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.901703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.901703 (E_RNA) where: Base-Base interactions energy: -862.848 where: short stacking energy: -344.108 Base-Backbone interact. energy: -1.059 local terms energy: -364.994245 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -72.053 flat angles C4'-P-C4' energy: -84.187 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: -95.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1205.738208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.738208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.738208 (E_RNA) where: Base-Base interactions energy: -828.636 where: short stacking energy: -352.975 Base-Backbone interact. energy: -3.636 local terms energy: -373.466484 where: bonds (distance) C4'-P energy: -71.933 bonds (distance) P-C4' energy: -67.580 flat angles C4'-P-C4' energy: -78.771 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -103.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1135.027898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.027898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.027898 (E_RNA) where: Base-Base interactions energy: -758.421 where: short stacking energy: -324.886 Base-Backbone interact. energy: -2.088 local terms energy: -374.518541 where: bonds (distance) C4'-P energy: -74.024 bonds (distance) P-C4' energy: -78.475 flat angles C4'-P-C4' energy: -72.225 flat angles P-C4'-P energy: -52.360 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: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1051.280784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.280784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.280784 (E_RNA) where: Base-Base interactions energy: -688.440 where: short stacking energy: -309.615 Base-Backbone interact. energy: 1.710 local terms energy: -364.551449 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -70.283 flat angles C4'-P-C4' energy: -83.429 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: -94.893 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: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -998.029611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.029611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.029611 (E_RNA) where: Base-Base interactions energy: -682.366 where: short stacking energy: -283.461 Base-Backbone interact. energy: -1.254 local terms energy: -314.410062 where: bonds (distance) C4'-P energy: -52.678 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -43.088 tors. eta vs tors. theta energy: -81.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -863.911808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.911808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.911808 (E_RNA) where: Base-Base interactions energy: -545.385 where: short stacking energy: -245.243 Base-Backbone interact. energy: 2.811 local terms energy: -321.337297 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -68.742 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -64.043 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: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -750.604465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.604465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.604465 (E_RNA) where: Base-Base interactions energy: -473.435 where: short stacking energy: -215.935 Base-Backbone interact. energy: -0.423 local terms energy: -276.747060 where: bonds (distance) C4'-P energy: -57.815 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -56.052 flat angles P-C4'-P energy: -37.928 tors. eta vs tors. theta energy: -47.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -481.971789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.971789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.971789 (E_RNA) where: Base-Base interactions energy: -251.802 where: short stacking energy: -135.566 Base-Backbone interact. energy: -0.456 local terms energy: -229.714593 where: bonds (distance) C4'-P energy: -54.834 bonds (distance) P-C4' energy: -64.275 flat angles C4'-P-C4' energy: -62.897 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: -12.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -336.048252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.048252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.048252 (E_RNA) where: Base-Base interactions energy: -115.619 where: short stacking energy: -97.509 Base-Backbone interact. energy: 3.266 local terms energy: -223.694523 where: bonds (distance) C4'-P energy: -75.359 bonds (distance) P-C4' energy: -61.619 flat angles C4'-P-C4' energy: -62.693 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: 9.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -360.350124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.350124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.350124 (E_RNA) where: Base-Base interactions energy: -186.267 where: short stacking energy: -87.533 Base-Backbone interact. energy: -0.135 local terms energy: -173.948642 where: bonds (distance) C4'-P energy: -65.289 bonds (distance) P-C4' energy: -57.158 flat angles C4'-P-C4' energy: -35.956 flat angles P-C4'-P energy: -32.703 tors. eta vs tors. theta energy: 17.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1213.740364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.740364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.740364 (E_RNA) where: Base-Base interactions energy: -860.419 where: short stacking energy: -346.147 Base-Backbone interact. energy: -0.161 local terms energy: -353.159902 where: bonds (distance) C4'-P energy: -57.455 bonds (distance) P-C4' energy: -67.927 flat angles C4'-P-C4' energy: -82.065 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -98.962 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: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1231.443833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.443833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.443833 (E_RNA) where: Base-Base interactions energy: -845.612 where: short stacking energy: -362.705 Base-Backbone interact. energy: -0.747 local terms energy: -385.085022 where: bonds (distance) C4'-P energy: -68.811 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -83.633 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -107.454 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: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1150.377708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.377708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.377708 (E_RNA) where: Base-Base interactions energy: -780.434 where: short stacking energy: -323.988 Base-Backbone interact. energy: -3.592 local terms energy: -366.351531 where: bonds (distance) C4'-P energy: -66.331 bonds (distance) P-C4' energy: -70.309 flat angles C4'-P-C4' energy: -82.296 flat angles P-C4'-P energy: -53.581 tors. eta vs tors. theta energy: -93.835 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: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1066.396246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.396246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.396246 (E_RNA) where: Base-Base interactions energy: -727.346 where: short stacking energy: -295.765 Base-Backbone interact. energy: 1.408 local terms energy: -340.458861 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -79.602 flat angles C4'-P-C4' energy: -73.166 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -84.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -996.762099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.762099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.762099 (E_RNA) where: Base-Base interactions energy: -663.398 where: short stacking energy: -290.963 Base-Backbone interact. energy: 0.108 local terms energy: -333.472825 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -77.939 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -77.495 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: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -908.938062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.938062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.938062 (E_RNA) where: Base-Base interactions energy: -606.236 where: short stacking energy: -267.593 Base-Backbone interact. energy: -1.176 local terms energy: -301.525674 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -48.863 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -36.510 tors. eta vs tors. theta energy: -76.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -722.988448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.988448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.988448 (E_RNA) where: Base-Base interactions energy: -450.908 where: short stacking energy: -201.825 Base-Backbone interact. energy: 1.048 local terms energy: -273.128466 where: bonds (distance) C4'-P energy: -56.367 bonds (distance) P-C4' energy: -60.271 flat angles C4'-P-C4' energy: -65.927 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -35.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -508.141969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.141969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.141969 (E_RNA) where: Base-Base interactions energy: -278.762 where: short stacking energy: -154.862 Base-Backbone interact. energy: -2.023 local terms energy: -227.357427 where: bonds (distance) C4'-P energy: -57.803 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -19.709 tors. eta vs tors. theta energy: -28.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -317.639415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.639415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.639415 (E_RNA) where: Base-Base interactions energy: -107.941 where: short stacking energy: -88.656 Base-Backbone interact. energy: -2.305 local terms energy: -207.393275 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -58.653 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: 9.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -361.268270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.268270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.268270 (E_RNA) where: Base-Base interactions energy: -148.141 where: short stacking energy: -95.076 Base-Backbone interact. energy: -0.984 local terms energy: -212.142897 where: bonds (distance) C4'-P energy: -57.760 bonds (distance) P-C4' energy: -69.373 flat angles C4'-P-C4' energy: -50.282 flat angles P-C4'-P energy: -43.184 tors. eta vs tors. theta energy: 8.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1222.827992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.827992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.827992 (E_RNA) where: Base-Base interactions energy: -841.425 where: short stacking energy: -338.706 Base-Backbone interact. energy: 1.065 local terms energy: -382.467747 where: bonds (distance) C4'-P energy: -71.578 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -49.102 tors. eta vs tors. theta energy: -101.230 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: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1231.751018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.751018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.751018 (E_RNA) where: Base-Base interactions energy: -834.147 where: short stacking energy: -358.970 Base-Backbone interact. energy: -2.332 local terms energy: -395.271555 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -74.732 flat angles C4'-P-C4' energy: -82.891 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -113.077 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: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1148.562130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.562130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.562130 (E_RNA) where: Base-Base interactions energy: -802.333 where: short stacking energy: -335.197 Base-Backbone interact. energy: 2.480 local terms energy: -348.709338 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -77.057 flat angles C4'-P-C4' energy: -69.739 flat angles P-C4'-P energy: -53.220 tors. eta vs tors. theta energy: -89.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1104.140444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.140444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.140444 (E_RNA) where: Base-Base interactions energy: -750.252 where: short stacking energy: -301.844 Base-Backbone interact. energy: 0.573 local terms energy: -354.461383 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -70.777 flat angles C4'-P-C4' energy: -73.531 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -95.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1023.062993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.062993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.062993 (E_RNA) where: Base-Base interactions energy: -668.846 where: short stacking energy: -307.555 Base-Backbone interact. energy: -0.676 local terms energy: -353.540378 where: bonds (distance) C4'-P energy: -72.485 bonds (distance) P-C4' energy: -67.524 flat angles C4'-P-C4' energy: -77.003 flat angles P-C4'-P energy: -45.649 tors. eta vs tors. theta energy: -90.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -933.516753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.516753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.516753 (E_RNA) where: Base-Base interactions energy: -627.323 where: short stacking energy: -283.265 Base-Backbone interact. energy: 0.408 local terms energy: -306.601844 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -74.850 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -72.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -693.887716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.887716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.887716 (E_RNA) where: Base-Base interactions energy: -423.631 where: short stacking energy: -196.710 Base-Backbone interact. energy: -0.268 local terms energy: -269.989177 where: bonds (distance) C4'-P energy: -62.944 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -29.521 tors. eta vs tors. theta energy: -47.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -521.392948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.392948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.392948 (E_RNA) where: Base-Base interactions energy: -304.207 where: short stacking energy: -144.018 Base-Backbone interact. energy: -1.247 local terms energy: -215.938866 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -54.014 flat angles C4'-P-C4' energy: -50.951 flat angles P-C4'-P energy: -28.738 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -405.075362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.075362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.075362 (E_RNA) where: Base-Base interactions energy: -177.039 where: short stacking energy: -98.151 Base-Backbone interact. energy: -0.688 local terms energy: -227.348484 where: bonds (distance) C4'-P energy: -61.333 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: 4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -324.315725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.315725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.315725 (E_RNA) where: Base-Base interactions energy: -133.924 where: short stacking energy: -89.380 Base-Backbone interact. energy: 3.419 local terms energy: -193.810733 where: bonds (distance) C4'-P energy: -60.190 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -53.342 flat angles P-C4'-P energy: -27.188 tors. eta vs tors. theta energy: 9.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1218.715622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.715622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.715622 (E_RNA) where: Base-Base interactions energy: -864.092 where: short stacking energy: -332.847 Base-Backbone interact. energy: 0.604 local terms energy: -355.227091 where: bonds (distance) C4'-P energy: -62.743 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -82.810 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -98.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1218.568633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.568633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.568633 (E_RNA) where: Base-Base interactions energy: -832.537 where: short stacking energy: -335.457 Base-Backbone interact. energy: 3.392 local terms energy: -389.423300 where: bonds (distance) C4'-P energy: -66.107 bonds (distance) P-C4' energy: -77.382 flat angles C4'-P-C4' energy: -82.170 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -108.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1138.132984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.132984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.132984 (E_RNA) where: Base-Base interactions energy: -787.014 where: short stacking energy: -311.711 Base-Backbone interact. energy: -2.107 local terms energy: -349.012066 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -75.054 flat angles C4'-P-C4' energy: -65.009 flat angles P-C4'-P energy: -51.701 tors. eta vs tors. theta energy: -87.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1081.395685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.395685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.395685 (E_RNA) where: Base-Base interactions energy: -734.400 where: short stacking energy: -285.598 Base-Backbone interact. energy: -1.010 local terms energy: -345.985610 where: bonds (distance) C4'-P energy: -64.833 bonds (distance) P-C4' energy: -71.785 flat angles C4'-P-C4' energy: -80.254 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -85.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1008.541202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.541202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.541202 (E_RNA) where: Base-Base interactions energy: -661.510 where: short stacking energy: -296.824 Base-Backbone interact. energy: 2.040 local terms energy: -349.071202 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -68.351 flat angles C4'-P-C4' energy: -77.716 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -92.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -926.198003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.198003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.198003 (E_RNA) where: Base-Base interactions energy: -629.137 where: short stacking energy: -284.023 Base-Backbone interact. energy: -1.366 local terms energy: -295.694790 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -57.038 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -44.433 tors. eta vs tors. theta energy: -65.938 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: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -671.812186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.812186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.812186 (E_RNA) where: Base-Base interactions energy: -403.477 where: short stacking energy: -187.076 Base-Backbone interact. energy: -2.834 local terms energy: -265.501219 where: bonds (distance) C4'-P energy: -58.548 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -64.153 flat angles P-C4'-P energy: -28.593 tors. eta vs tors. theta energy: -45.881 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: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -499.605740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.605740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.605740 (E_RNA) where: Base-Base interactions energy: -258.967 where: short stacking energy: -153.430 Base-Backbone interact. energy: -1.705 local terms energy: -238.933305 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -63.860 flat angles C4'-P-C4' energy: -61.028 flat angles P-C4'-P energy: -39.922 tors. eta vs tors. theta energy: -14.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -388.474130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.474130 (E_RNA) where: Base-Base interactions energy: -160.208 where: short stacking energy: -98.877 Base-Backbone interact. energy: -2.439 local terms energy: -225.827465 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -77.836 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -26.461 tors. eta vs tors. theta energy: 3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -299.773578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.773578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.773578 (E_RNA) where: Base-Base interactions energy: -117.533 where: short stacking energy: -90.755 Base-Backbone interact. energy: 1.461 local terms energy: -183.701463 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -68.341 flat angles C4'-P-C4' energy: -44.203 flat angles P-C4'-P energy: -27.967 tors. eta vs tors. theta energy: 16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1248.525308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.525308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.525308 (E_RNA) where: Base-Base interactions energy: -845.646 where: short stacking energy: -359.338 Base-Backbone interact. energy: 0.213 local terms energy: -403.092820 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -79.949 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -107.609 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: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1194.318803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.318803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.318803 (E_RNA) where: Base-Base interactions energy: -843.753 where: short stacking energy: -338.773 Base-Backbone interact. energy: -1.482 local terms energy: -349.083959 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -72.878 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -96.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1134.910781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.910781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.910781 (E_RNA) where: Base-Base interactions energy: -762.909 where: short stacking energy: -326.375 Base-Backbone interact. energy: -0.521 local terms energy: -371.480953 where: bonds (distance) C4'-P energy: -70.424 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -98.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1085.855955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.855955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.855955 (E_RNA) where: Base-Base interactions energy: -734.840 where: short stacking energy: -281.750 Base-Backbone interact. energy: 1.047 local terms energy: -352.062496 where: bonds (distance) C4'-P energy: -58.358 bonds (distance) P-C4' energy: -81.850 flat angles C4'-P-C4' energy: -74.621 flat angles P-C4'-P energy: -50.599 tors. eta vs tors. theta energy: -86.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -994.014414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.014414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.014414 (E_RNA) where: Base-Base interactions energy: -674.068 where: short stacking energy: -296.727 Base-Backbone interact. energy: 0.024 local terms energy: -319.970355 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -63.153 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -88.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -937.564210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.564210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.564210 (E_RNA) where: Base-Base interactions energy: -601.898 where: short stacking energy: -259.341 Base-Backbone interact. energy: -0.505 local terms energy: -335.161187 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -74.116 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -69.696 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: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -697.888448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.888448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.888448 (E_RNA) where: Base-Base interactions energy: -415.975 where: short stacking energy: -200.687 Base-Backbone interact. energy: -0.319 local terms energy: -281.593687 where: bonds (distance) C4'-P energy: -67.204 bonds (distance) P-C4' energy: -72.146 flat angles C4'-P-C4' energy: -63.418 flat angles P-C4'-P energy: -35.375 tors. eta vs tors. theta energy: -43.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -521.442135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.442135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.442135 (E_RNA) where: Base-Base interactions energy: -281.606 where: short stacking energy: -177.808 Base-Backbone interact. energy: 2.361 local terms energy: -242.196958 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -62.289 flat angles C4'-P-C4' energy: -49.777 flat angles P-C4'-P energy: -32.280 tors. eta vs tors. theta energy: -26.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -409.518211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.518211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.518211 (E_RNA) where: Base-Base interactions energy: -180.738 where: short stacking energy: -106.414 Base-Backbone interact. energy: -2.562 local terms energy: -226.218306 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -58.726 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -306.819024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.819024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.819024 (E_RNA) where: Base-Base interactions energy: -119.901 where: short stacking energy: -68.848 Base-Backbone interact. energy: 0.495 local terms energy: -187.412992 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -64.990 flat angles C4'-P-C4' energy: -37.589 flat angles P-C4'-P energy: -33.073 tors. eta vs tors. theta energy: 10.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1254.942384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.942384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.942384 (E_RNA) where: Base-Base interactions energy: -852.238 where: short stacking energy: -354.245 Base-Backbone interact. energy: -2.881 local terms energy: -399.823552 where: bonds (distance) C4'-P energy: -76.902 bonds (distance) P-C4' energy: -72.419 flat angles C4'-P-C4' energy: -81.145 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -113.097 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: 261 Temperature: 0.950000 Total energy: -1178.022389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.022389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.022389 (E_RNA) where: Base-Base interactions energy: -836.179 where: short stacking energy: -321.460 Base-Backbone interact. energy: 1.233 local terms energy: -343.076870 where: bonds (distance) C4'-P energy: -62.816 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -78.951 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -88.892 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: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1135.089215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.089215 (E_RNA) where: Base-Base interactions energy: -751.665 where: short stacking energy: -329.478 Base-Backbone interact. energy: -2.171 local terms energy: -381.253784 where: bonds (distance) C4'-P energy: -76.560 bonds (distance) P-C4' energy: -72.269 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: -96.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1113.704068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.704068 (E_RNA) where: Base-Base interactions energy: -762.680 where: short stacking energy: -312.871 Base-Backbone interact. energy: -1.580 local terms energy: -349.444583 where: bonds (distance) C4'-P energy: -68.761 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -76.777 flat angles P-C4'-P energy: -50.434 tors. eta vs tors. theta energy: -95.444 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: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -986.724561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.724561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.724561 (E_RNA) where: Base-Base interactions energy: -646.666 where: short stacking energy: -272.822 Base-Backbone interact. energy: 0.423 local terms energy: -340.481163 where: bonds (distance) C4'-P energy: -59.467 bonds (distance) P-C4' energy: -70.468 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -81.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -944.823503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.823503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.823503 (E_RNA) where: Base-Base interactions energy: -602.856 where: short stacking energy: -296.057 Base-Backbone interact. energy: -2.046 local terms energy: -339.921311 where: bonds (distance) C4'-P energy: -61.446 bonds (distance) P-C4' energy: -64.730 flat angles C4'-P-C4' energy: -77.851 flat angles P-C4'-P energy: -47.864 tors. eta vs tors. theta energy: -88.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -694.253427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.253427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.253427 (E_RNA) where: Base-Base interactions energy: -424.020 where: short stacking energy: -205.456 Base-Backbone interact. energy: 2.392 local terms energy: -272.625119 where: bonds (distance) C4'-P energy: -72.404 bonds (distance) P-C4' energy: -61.506 flat angles C4'-P-C4' energy: -51.436 flat angles P-C4'-P energy: -34.509 tors. eta vs tors. theta energy: -52.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -494.065361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.065361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.065361 (E_RNA) where: Base-Base interactions energy: -266.774 where: short stacking energy: -155.096 Base-Backbone interact. energy: 0.319 local terms energy: -227.610427 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -55.116 flat angles P-C4'-P energy: -27.151 tors. eta vs tors. theta energy: -21.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -403.074852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.074852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.074852 (E_RNA) where: Base-Base interactions energy: -192.343 where: short stacking energy: -128.158 Base-Backbone interact. energy: 2.816 local terms energy: -213.547355 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -53.397 flat angles P-C4'-P energy: -27.573 tors. eta vs tors. theta energy: -11.521 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: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -329.278739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.278739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.278739 (E_RNA) where: Base-Base interactions energy: -139.543 where: short stacking energy: -91.864 Base-Backbone interact. energy: -1.106 local terms energy: -188.629284 where: bonds (distance) C4'-P energy: -63.940 bonds (distance) P-C4' energy: -54.083 flat angles C4'-P-C4' energy: -46.539 flat angles P-C4'-P energy: -21.975 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1254.213021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.213021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.213021 (E_RNA) where: Base-Base interactions energy: -855.740 where: short stacking energy: -350.935 Base-Backbone interact. energy: -0.595 local terms energy: -397.878150 where: bonds (distance) C4'-P energy: -67.160 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -63.260 tors. eta vs tors. theta energy: -110.657 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: 262 Temperature: 0.950000 Total energy: -1199.101514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.101514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.101514 (E_RNA) where: Base-Base interactions energy: -839.948 where: short stacking energy: -330.323 Base-Backbone interact. energy: -2.800 local terms energy: -356.353936 where: bonds (distance) C4'-P energy: -69.709 bonds (distance) P-C4' energy: -75.089 flat angles C4'-P-C4' energy: -78.954 flat angles P-C4'-P energy: -41.198 tors. eta vs tors. theta energy: -91.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1136.658530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.658530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.658530 (E_RNA) where: Base-Base interactions energy: -775.115 where: short stacking energy: -305.106 Base-Backbone interact. energy: -1.599 local terms energy: -359.944627 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -69.379 flat angles C4'-P-C4' energy: -75.910 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -88.068 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: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1074.312762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.312762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.312762 (E_RNA) where: Base-Base interactions energy: -737.903 where: short stacking energy: -314.334 Base-Backbone interact. energy: -1.897 local terms energy: -334.512698 where: bonds (distance) C4'-P energy: -58.334 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -87.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -992.792368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.792368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.792368 (E_RNA) where: Base-Base interactions energy: -658.318 where: short stacking energy: -300.730 Base-Backbone interact. energy: -0.171 local terms energy: -334.303873 where: bonds (distance) C4'-P energy: -65.969 bonds (distance) P-C4' energy: -63.766 flat angles C4'-P-C4' energy: -74.761 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -87.454 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -895.753991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.753991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.753991 (E_RNA) where: Base-Base interactions energy: -575.163 where: short stacking energy: -255.834 Base-Backbone interact. energy: -1.754 local terms energy: -318.836565 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -69.845 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -47.184 tors. eta vs tors. theta energy: -71.000 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: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -819.613966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.613966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.613966 (E_RNA) where: Base-Base interactions energy: -537.459 where: short stacking energy: -230.683 Base-Backbone interact. energy: -1.339 local terms energy: -280.815341 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -51.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -530.974691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.974691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.974691 (E_RNA) where: Base-Base interactions energy: -284.796 where: short stacking energy: -131.476 Base-Backbone interact. energy: -0.773 local terms energy: -245.405349 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -69.520 flat angles C4'-P-C4' energy: -58.588 flat angles P-C4'-P energy: -30.779 tors. eta vs tors. theta energy: -18.579 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: 262 Temperature: 1.300000 Total energy: -369.894050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.894050 (E_RNA) where: Base-Base interactions energy: -168.741 where: short stacking energy: -110.603 Base-Backbone interact. energy: 0.497 local terms energy: -201.649552 where: bonds (distance) C4'-P energy: -52.510 bonds (distance) P-C4' energy: -70.979 flat angles C4'-P-C4' energy: -44.854 flat angles P-C4'-P energy: -37.856 tors. eta vs tors. theta energy: 4.550 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -288.901319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.901319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.901319 (E_RNA) where: Base-Base interactions energy: -101.085 where: short stacking energy: -89.067 Base-Backbone interact. energy: -0.869 local terms energy: -186.947945 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -57.959 flat angles C4'-P-C4' energy: -46.962 flat angles P-C4'-P energy: -24.858 tors. eta vs tors. theta energy: 5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1282.263695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.263695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.263695 (E_RNA) where: Base-Base interactions energy: -874.627 where: short stacking energy: -375.304 Base-Backbone interact. energy: -2.446 local terms energy: -405.190198 where: bonds (distance) C4'-P energy: -75.595 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -77.913 flat angles P-C4'-P energy: -56.750 tors. eta vs tors. theta energy: -115.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1209.611588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.611588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.611588 (E_RNA) where: Base-Base interactions energy: -848.605 where: short stacking energy: -343.408 Base-Backbone interact. energy: -2.171 local terms energy: -358.835522 where: bonds (distance) C4'-P energy: -73.333 bonds (distance) P-C4' energy: -73.502 flat angles C4'-P-C4' energy: -75.627 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -96.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1126.145180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.145180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.145180 (E_RNA) where: Base-Base interactions energy: -771.217 where: short stacking energy: -319.499 Base-Backbone interact. energy: 2.612 local terms energy: -357.540966 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -73.941 flat angles C4'-P-C4' energy: -75.859 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: -98.600 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: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1079.233133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.233133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.233133 (E_RNA) where: Base-Base interactions energy: -740.549 where: short stacking energy: -297.387 Base-Backbone interact. energy: 2.615 local terms energy: -341.299582 where: bonds (distance) C4'-P energy: -66.891 bonds (distance) P-C4' energy: -73.700 flat angles C4'-P-C4' energy: -69.882 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -88.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -984.384611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.384611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.384611 (E_RNA) where: Base-Base interactions energy: -659.556 where: short stacking energy: -285.307 Base-Backbone interact. energy: 1.625 local terms energy: -326.454402 where: bonds (distance) C4'-P energy: -59.631 bonds (distance) P-C4' energy: -60.849 flat angles C4'-P-C4' energy: -83.673 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: -73.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -927.691397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.691397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.691397 (E_RNA) where: Base-Base interactions energy: -605.113 where: short stacking energy: -262.160 Base-Backbone interact. energy: -0.119 local terms energy: -322.459368 where: bonds (distance) C4'-P energy: -54.488 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -76.539 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -73.478 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: 7, replica: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -768.183496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.183496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.183496 (E_RNA) where: Base-Base interactions energy: -485.913 where: short stacking energy: -227.657 Base-Backbone interact. energy: -1.393 local terms energy: -280.878148 where: bonds (distance) C4'-P energy: -41.400 bonds (distance) P-C4' energy: -69.642 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -38.311 tors. eta vs tors. theta energy: -56.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -495.001488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.001488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.001488 (E_RNA) where: Base-Base interactions energy: -260.651 where: short stacking energy: -133.039 Base-Backbone interact. energy: 0.165 local terms energy: -234.515396 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -61.021 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -396.270614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.270614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.270614 (E_RNA) where: Base-Base interactions energy: -168.529 where: short stacking energy: -113.305 Base-Backbone interact. energy: 0.005 local terms energy: -227.747374 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -56.296 flat angles C4'-P-C4' energy: -46.347 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: -21.624 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: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -291.242407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.242407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.242407 (E_RNA) where: Base-Base interactions energy: -94.327 where: short stacking energy: -72.643 Base-Backbone interact. energy: 1.798 local terms energy: -198.713782 where: bonds (distance) C4'-P energy: -40.010 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -58.828 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: 1.743 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: 264 Temperature: 0.900000 Total energy: -1263.609806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.609806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.609806 (E_RNA) where: Base-Base interactions energy: -865.880 where: short stacking energy: -364.106 Base-Backbone interact. energy: -3.122 local terms energy: -394.607724 where: bonds (distance) C4'-P energy: -71.614 bonds (distance) P-C4' energy: -78.911 flat angles C4'-P-C4' energy: -63.987 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -117.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1198.705507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.705507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.705507 (E_RNA) where: Base-Base interactions energy: -830.545 where: short stacking energy: -328.977 Base-Backbone interact. energy: -2.540 local terms energy: -365.620756 where: bonds (distance) C4'-P energy: -67.223 bonds (distance) P-C4' energy: -68.878 flat angles C4'-P-C4' energy: -85.246 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -100.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1167.153816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.153816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.153816 (E_RNA) where: Base-Base interactions energy: -780.051 where: short stacking energy: -325.610 Base-Backbone interact. energy: -1.164 local terms energy: -385.939040 where: bonds (distance) C4'-P energy: -71.496 bonds (distance) P-C4' energy: -74.411 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -99.805 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: 264 Temperature: 1.050000 Total energy: -1082.359458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.359458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.359458 (E_RNA) where: Base-Base interactions energy: -706.986 where: short stacking energy: -308.242 Base-Backbone interact. energy: -1.054 local terms energy: -374.319768 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -66.657 flat angles C4'-P-C4' energy: -86.896 flat angles P-C4'-P energy: -57.883 tors. eta vs tors. theta energy: -92.922 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: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -959.430936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.430936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.430936 (E_RNA) where: Base-Base interactions energy: -645.823 where: short stacking energy: -265.739 Base-Backbone interact. energy: -1.494 local terms energy: -312.113689 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -76.326 flat angles C4'-P-C4' energy: -66.674 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: -73.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -980.170439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.170439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.170439 (E_RNA) where: Base-Base interactions energy: -652.402 where: short stacking energy: -276.848 Base-Backbone interact. energy: -0.835 local terms energy: -326.933130 where: bonds (distance) C4'-P energy: -52.188 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -72.212 flat angles P-C4'-P energy: -47.617 tors. eta vs tors. theta energy: -84.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -766.177195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.177195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.177195 (E_RNA) where: Base-Base interactions energy: -476.823 where: short stacking energy: -231.195 Base-Backbone interact. energy: -1.724 local terms energy: -287.629621 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -68.026 flat angles P-C4'-P energy: -31.316 tors. eta vs tors. theta energy: -56.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -516.925810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.925810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.925810 (E_RNA) where: Base-Base interactions energy: -278.281 where: short stacking energy: -138.023 Base-Backbone interact. energy: -1.067 local terms energy: -237.578524 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -67.712 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -30.460 tors. eta vs tors. theta energy: -5.464 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: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -386.240135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.240135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.240135 (E_RNA) where: Base-Base interactions energy: -181.869 where: short stacking energy: -92.535 Base-Backbone interact. energy: 1.758 local terms energy: -206.128675 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -57.605 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: 6.975 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: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -276.071752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.071752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.071752 (E_RNA) where: Base-Base interactions energy: -92.278 where: short stacking energy: -71.090 Base-Backbone interact. energy: -4.704 local terms energy: -179.089994 where: bonds (distance) C4'-P energy: -55.135 bonds (distance) P-C4' energy: -51.740 flat angles C4'-P-C4' energy: -53.134 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: 19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1235.878059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.878059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.878059 (E_RNA) where: Base-Base interactions energy: -844.340 where: short stacking energy: -360.786 Base-Backbone interact. energy: -1.210 local terms energy: -390.328111 where: bonds (distance) C4'-P energy: -75.209 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -53.479 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: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1192.504471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.504471 (E_RNA) where: Base-Base interactions energy: -817.307 where: short stacking energy: -342.706 Base-Backbone interact. energy: 1.199 local terms energy: -376.396915 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -79.986 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -59.840 tors. eta vs tors. theta energy: -100.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1145.164853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.164853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.164853 (E_RNA) where: Base-Base interactions energy: -801.195 where: short stacking energy: -310.600 Base-Backbone interact. energy: -3.100 local terms energy: -340.870228 where: bonds (distance) C4'-P energy: -68.781 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -93.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1089.824328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.824328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.824328 (E_RNA) where: Base-Base interactions energy: -731.894 where: short stacking energy: -324.663 Base-Backbone interact. energy: -1.829 local terms energy: -356.101582 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -78.765 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -99.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -948.053867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.053867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.053867 (E_RNA) where: Base-Base interactions energy: -659.183 where: short stacking energy: -276.849 Base-Backbone interact. energy: 0.827 local terms energy: -289.697577 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -42.651 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: -71.270 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: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -939.050773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.050773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.050773 (E_RNA) where: Base-Base interactions energy: -626.558 where: short stacking energy: -275.185 Base-Backbone interact. energy: 0.590 local terms energy: -313.082312 where: bonds (distance) C4'-P energy: -61.049 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -72.586 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -65.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -763.407927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.407927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.407927 (E_RNA) where: Base-Base interactions energy: -463.557 where: short stacking energy: -235.517 Base-Backbone interact. energy: -0.812 local terms energy: -299.039796 where: bonds (distance) C4'-P energy: -65.043 bonds (distance) P-C4' energy: -74.656 flat angles C4'-P-C4' energy: -71.046 flat angles P-C4'-P energy: -26.276 tors. eta vs tors. theta energy: -62.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -499.601636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.601636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.601636 (E_RNA) where: Base-Base interactions energy: -279.109 where: short stacking energy: -152.926 Base-Backbone interact. energy: 1.015 local terms energy: -221.507698 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -59.494 flat angles P-C4'-P energy: -26.425 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -384.295358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.295358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.295358 (E_RNA) where: Base-Base interactions energy: -192.006 where: short stacking energy: -116.630 Base-Backbone interact. energy: -2.070 local terms energy: -190.218841 where: bonds (distance) C4'-P energy: -48.843 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -51.300 flat angles P-C4'-P energy: -35.534 tors. eta vs tors. theta energy: 4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -285.298194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.298194 (E_RNA) where: Base-Base interactions energy: -101.811 where: short stacking energy: -79.641 Base-Backbone interact. energy: -0.940 local terms energy: -182.546868 where: bonds (distance) C4'-P energy: -45.031 bonds (distance) P-C4' energy: -53.391 flat angles C4'-P-C4' energy: -51.927 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: 8.377 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: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1250.413385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.413385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.413385 (E_RNA) where: Base-Base interactions energy: -856.069 where: short stacking energy: -361.323 Base-Backbone interact. energy: -2.778 local terms energy: -391.565493 where: bonds (distance) C4'-P energy: -73.019 bonds (distance) P-C4' energy: -77.823 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -54.282 tors. eta vs tors. theta energy: -112.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1182.884233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.884233 (E_RNA) where: Base-Base interactions energy: -814.664 where: short stacking energy: -332.054 Base-Backbone interact. energy: -1.342 local terms energy: -366.877997 where: bonds (distance) C4'-P energy: -68.192 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -48.961 tors. eta vs tors. theta energy: -105.500 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: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1155.082167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.082167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.082167 (E_RNA) where: Base-Base interactions energy: -815.373 where: short stacking energy: -316.234 Base-Backbone interact. energy: -2.814 local terms energy: -336.894910 where: bonds (distance) C4'-P energy: -66.005 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -67.180 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -85.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1084.014654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.014654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.014654 (E_RNA) where: Base-Base interactions energy: -750.587 where: short stacking energy: -305.591 Base-Backbone interact. energy: -0.277 local terms energy: -333.150429 where: bonds (distance) C4'-P energy: -63.662 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -68.715 flat angles P-C4'-P energy: -47.099 tors. eta vs tors. theta energy: -90.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -997.527628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.527628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.527628 (E_RNA) where: Base-Base interactions energy: -670.408 where: short stacking energy: -286.840 Base-Backbone interact. energy: 0.809 local terms energy: -327.927688 where: bonds (distance) C4'-P energy: -61.418 bonds (distance) P-C4' energy: -68.499 flat angles C4'-P-C4' energy: -71.327 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -75.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -907.707507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.707507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.707507 (E_RNA) where: Base-Base interactions energy: -599.470 where: short stacking energy: -266.542 Base-Backbone interact. energy: -0.715 local terms energy: -307.521932 where: bonds (distance) C4'-P energy: -49.886 bonds (distance) P-C4' energy: -60.380 flat angles C4'-P-C4' energy: -76.623 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -72.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -756.604608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.604608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.604608 (E_RNA) where: Base-Base interactions energy: -453.611 where: short stacking energy: -235.729 Base-Backbone interact. energy: -1.271 local terms energy: -301.722052 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -62.294 flat angles C4'-P-C4' energy: -69.802 flat angles P-C4'-P energy: -38.296 tors. eta vs tors. theta energy: -74.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -499.256670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.256670 (E_RNA) where: Base-Base interactions energy: -270.570 where: short stacking energy: -148.019 Base-Backbone interact. energy: 3.969 local terms energy: -232.655541 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -62.642 flat angles C4'-P-C4' energy: -63.205 flat angles P-C4'-P energy: -33.493 tors. eta vs tors. theta energy: -16.523 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: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -390.103893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.103893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.103893 (E_RNA) where: Base-Base interactions energy: -172.744 where: short stacking energy: -106.814 Base-Backbone interact. energy: -0.356 local terms energy: -217.003587 where: bonds (distance) C4'-P energy: -62.715 bonds (distance) P-C4' energy: -54.970 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: 5.837 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: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -283.545317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.545317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.545317 (E_RNA) where: Base-Base interactions energy: -94.813 where: short stacking energy: -53.663 Base-Backbone interact. energy: -1.267 local terms energy: -187.464737 where: bonds (distance) C4'-P energy: -73.364 bonds (distance) P-C4' energy: -49.090 flat angles C4'-P-C4' energy: -45.694 flat angles P-C4'-P energy: -26.058 tors. eta vs tors. theta energy: 6.741 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: 267 Temperature: 0.900000 Total energy: -1240.534914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.534914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.534914 (E_RNA) where: Base-Base interactions energy: -849.312 where: short stacking energy: -364.666 Base-Backbone interact. energy: 1.695 local terms energy: -392.917766 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -63.673 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -55.500 tors. eta vs tors. theta energy: -120.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1171.428191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.428191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.428191 (E_RNA) where: Base-Base interactions energy: -788.548 where: short stacking energy: -334.707 Base-Backbone interact. energy: -1.513 local terms energy: -381.367419 where: bonds (distance) C4'-P energy: -74.125 bonds (distance) P-C4' energy: -78.486 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -49.720 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: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1145.896455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.896455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.896455 (E_RNA) where: Base-Base interactions energy: -795.708 where: short stacking energy: -306.373 Base-Backbone interact. energy: -1.400 local terms energy: -348.788231 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -64.886 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -84.910 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1093.580839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.580839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.580839 (E_RNA) where: Base-Base interactions energy: -726.489 where: short stacking energy: -331.413 Base-Backbone interact. energy: 0.780 local terms energy: -367.871925 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -63.538 flat angles C4'-P-C4' energy: -80.419 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -97.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1004.184948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.184948 (E_RNA) where: Base-Base interactions energy: -693.729 where: short stacking energy: -299.854 Base-Backbone interact. energy: -1.158 local terms energy: -309.298573 where: bonds (distance) C4'-P energy: -58.500 bonds (distance) P-C4' energy: -53.915 flat angles C4'-P-C4' energy: -70.287 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: -79.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -889.412873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.412873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.412873 (E_RNA) where: Base-Base interactions energy: -584.109 where: short stacking energy: -250.523 Base-Backbone interact. energy: -0.371 local terms energy: -304.932793 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -58.185 flat angles C4'-P-C4' energy: -69.728 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -72.660 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: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -755.896280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.896280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.896280 (E_RNA) where: Base-Base interactions energy: -488.271 where: short stacking energy: -217.403 Base-Backbone interact. energy: -1.478 local terms energy: -266.147557 where: bonds (distance) C4'-P energy: -53.641 bonds (distance) P-C4' energy: -64.082 flat angles C4'-P-C4' energy: -61.394 flat angles P-C4'-P energy: -38.915 tors. eta vs tors. theta energy: -48.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -514.119292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.119292 (E_RNA) where: Base-Base interactions energy: -293.728 where: short stacking energy: -138.224 Base-Backbone interact. energy: 0.499 local terms energy: -220.889803 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -71.361 flat angles C4'-P-C4' energy: -54.714 flat angles P-C4'-P energy: -21.845 tors. eta vs tors. theta energy: -12.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -395.047566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.047566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.047566 (E_RNA) where: Base-Base interactions energy: -178.635 where: short stacking energy: -97.427 Base-Backbone interact. energy: -1.690 local terms energy: -214.723016 where: bonds (distance) C4'-P energy: -56.577 bonds (distance) P-C4' energy: -67.871 flat angles C4'-P-C4' energy: -54.675 flat angles P-C4'-P energy: -28.776 tors. eta vs tors. theta energy: -6.824 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: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -295.183819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.183819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.183819 (E_RNA) where: Base-Base interactions energy: -104.677 where: short stacking energy: -73.892 Base-Backbone interact. energy: -0.610 local terms energy: -189.896661 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -58.934 flat angles C4'-P-C4' energy: -37.685 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: 14.145 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: 268 Temperature: 0.900000 Total energy: -1254.047995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.047995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.047995 (E_RNA) where: Base-Base interactions energy: -853.007 where: short stacking energy: -357.920 Base-Backbone interact. energy: -1.175 local terms energy: -399.865803 where: bonds (distance) C4'-P energy: -77.376 bonds (distance) P-C4' energy: -79.428 flat angles C4'-P-C4' energy: -72.978 flat angles P-C4'-P energy: -54.099 tors. eta vs tors. theta energy: -115.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1200.613723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.613723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.613723 (E_RNA) where: Base-Base interactions energy: -815.632 where: short stacking energy: -333.694 Base-Backbone interact. energy: 0.086 local terms energy: -385.068488 where: bonds (distance) C4'-P energy: -76.712 bonds (distance) P-C4' energy: -79.666 flat angles C4'-P-C4' energy: -74.827 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -98.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1147.837362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.837362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.837362 (E_RNA) where: Base-Base interactions energy: -826.094 where: short stacking energy: -297.924 Base-Backbone interact. energy: 0.247 local terms energy: -321.989940 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -45.638 tors. eta vs tors. theta energy: -88.312 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: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1112.302861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.302861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.302861 (E_RNA) where: Base-Base interactions energy: -737.271 where: short stacking energy: -318.658 Base-Backbone interact. energy: -1.460 local terms energy: -373.571899 where: bonds (distance) C4'-P energy: -72.792 bonds (distance) P-C4' energy: -73.010 flat angles C4'-P-C4' energy: -73.097 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -97.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -975.592159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.592159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.592159 (E_RNA) where: Base-Base interactions energy: -666.658 where: short stacking energy: -287.031 Base-Backbone interact. energy: -1.091 local terms energy: -307.843158 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -55.585 flat angles C4'-P-C4' energy: -63.865 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -72.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -887.589719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.589719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.589719 (E_RNA) where: Base-Base interactions energy: -600.217 where: short stacking energy: -264.974 Base-Backbone interact. energy: 0.374 local terms energy: -287.746894 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -39.609 tors. eta vs tors. theta energy: -58.145 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: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -712.201323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.201323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.201323 (E_RNA) where: Base-Base interactions energy: -432.761 where: short stacking energy: -221.401 Base-Backbone interact. energy: -0.241 local terms energy: -279.199378 where: bonds (distance) C4'-P energy: -60.104 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -55.190 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -55.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -497.905040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.905040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.905040 (E_RNA) where: Base-Base interactions energy: -291.040 where: short stacking energy: -149.449 Base-Backbone interact. energy: -0.940 local terms energy: -205.925539 where: bonds (distance) C4'-P energy: -44.466 bonds (distance) P-C4' energy: -72.168 flat angles C4'-P-C4' energy: -47.695 flat angles P-C4'-P energy: -24.992 tors. eta vs tors. theta energy: -16.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -399.028208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.028208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.028208 (E_RNA) where: Base-Base interactions energy: -176.730 where: short stacking energy: -110.487 Base-Backbone interact. energy: -0.103 local terms energy: -222.194720 where: bonds (distance) C4'-P energy: -60.447 bonds (distance) P-C4' energy: -72.351 flat angles C4'-P-C4' energy: -54.843 flat angles P-C4'-P energy: -31.131 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -313.524541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.524541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.524541 (E_RNA) where: Base-Base interactions energy: -123.134 where: short stacking energy: -79.777 Base-Backbone interact. energy: -2.273 local terms energy: -188.116697 where: bonds (distance) C4'-P energy: -59.866 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -57.748 flat angles P-C4'-P energy: -22.085 tors. eta vs tors. theta energy: 12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1250.027324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.027324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.027324 (E_RNA) where: Base-Base interactions energy: -860.769 where: short stacking energy: -355.111 Base-Backbone interact. energy: 0.575 local terms energy: -389.833102 where: bonds (distance) C4'-P energy: -67.787 bonds (distance) P-C4' energy: -69.064 flat angles C4'-P-C4' energy: -82.680 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -115.311 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: 269 Temperature: 0.950000 Total energy: -1165.178770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.178770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.178770 (E_RNA) where: Base-Base interactions energy: -789.342 where: short stacking energy: -340.484 Base-Backbone interact. energy: 2.528 local terms energy: -378.364021 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -77.498 flat angles C4'-P-C4' energy: -79.970 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -94.670 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: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1140.566101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.566101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.566101 (E_RNA) where: Base-Base interactions energy: -783.038 where: short stacking energy: -298.594 Base-Backbone interact. energy: -0.731 local terms energy: -356.797899 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -86.435 flat angles P-C4'-P energy: -53.461 tors. eta vs tors. theta energy: -85.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1090.515156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.515156 (E_RNA) where: Base-Base interactions energy: -726.501 where: short stacking energy: -311.983 Base-Backbone interact. energy: -2.582 local terms energy: -361.431725 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -73.962 flat angles C4'-P-C4' energy: -80.973 flat angles P-C4'-P energy: -44.610 tors. eta vs tors. theta energy: -98.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -986.533900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.533900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.533900 (E_RNA) where: Base-Base interactions energy: -644.399 where: short stacking energy: -280.974 Base-Backbone interact. energy: 0.544 local terms energy: -342.678689 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -67.665 flat angles C4'-P-C4' energy: -80.322 flat angles P-C4'-P energy: -49.766 tors. eta vs tors. theta energy: -71.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -931.441223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.441223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.441223 (E_RNA) where: Base-Base interactions energy: -625.360 where: short stacking energy: -275.234 Base-Backbone interact. energy: -1.554 local terms energy: -304.527083 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -68.093 flat angles C4'-P-C4' energy: -65.671 flat angles P-C4'-P energy: -32.401 tors. eta vs tors. theta energy: -69.812 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: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -702.299008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.299008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.299008 (E_RNA) where: Base-Base interactions energy: -419.549 where: short stacking energy: -219.811 Base-Backbone interact. energy: 1.250 local terms energy: -283.999724 where: bonds (distance) C4'-P energy: -54.826 bonds (distance) P-C4' energy: -73.090 flat angles C4'-P-C4' energy: -66.088 flat angles P-C4'-P energy: -33.092 tors. eta vs tors. theta energy: -56.904 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: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -509.369064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.369064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.369064 (E_RNA) where: Base-Base interactions energy: -280.464 where: short stacking energy: -136.584 Base-Backbone interact. energy: -0.024 local terms energy: -228.881255 where: bonds (distance) C4'-P energy: -55.042 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -29.876 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -408.081040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.081040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.081040 (E_RNA) where: Base-Base interactions energy: -188.599 where: short stacking energy: -126.548 Base-Backbone interact. energy: -2.366 local terms energy: -217.115775 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -54.573 flat angles P-C4'-P energy: -37.043 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -297.660218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.660218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.660218 (E_RNA) where: Base-Base interactions energy: -109.281 where: short stacking energy: -71.795 Base-Backbone interact. energy: -1.350 local terms energy: -187.029912 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -58.227 flat angles C4'-P-C4' energy: -45.367 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: 12.560 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: 270 Temperature: 0.900000 Total energy: -1251.655151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.655151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.655151 (E_RNA) where: Base-Base interactions energy: -860.505 where: short stacking energy: -359.976 Base-Backbone interact. energy: -0.524 local terms energy: -390.626821 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -80.155 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -115.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1184.430124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.430124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.430124 (E_RNA) where: Base-Base interactions energy: -835.014 where: short stacking energy: -345.632 Base-Backbone interact. energy: 1.623 local terms energy: -351.039492 where: bonds (distance) C4'-P energy: -54.990 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -47.454 tors. eta vs tors. theta energy: -99.278 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: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1102.396747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.396747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.396747 (E_RNA) where: Base-Base interactions energy: -714.472 where: short stacking energy: -313.885 Base-Backbone interact. energy: -3.322 local terms energy: -384.602013 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -89.219 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -96.842 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: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1111.964412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.964412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.964412 (E_RNA) where: Base-Base interactions energy: -760.500 where: short stacking energy: -299.544 Base-Backbone interact. energy: -1.235 local terms energy: -350.228997 where: bonds (distance) C4'-P energy: -71.294 bonds (distance) P-C4' energy: -70.272 flat angles C4'-P-C4' energy: -73.039 flat angles P-C4'-P energy: -47.705 tors. eta vs tors. theta energy: -87.919 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: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -985.806722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.806722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.806722 (E_RNA) where: Base-Base interactions energy: -636.975 where: short stacking energy: -268.973 Base-Backbone interact. energy: 1.469 local terms energy: -350.301193 where: bonds (distance) C4'-P energy: -79.683 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -68.890 flat angles P-C4'-P energy: -51.743 tors. eta vs tors. theta energy: -81.389 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: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -894.397324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.397324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.397324 (E_RNA) where: Base-Base interactions energy: -604.098 where: short stacking energy: -250.081 Base-Backbone interact. energy: 0.837 local terms energy: -291.136335 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -62.405 flat angles C4'-P-C4' energy: -63.325 flat angles P-C4'-P energy: -51.512 tors. eta vs tors. theta energy: -55.169 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: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -652.721774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.721774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.721774 (E_RNA) where: Base-Base interactions energy: -379.888 where: short stacking energy: -188.101 Base-Backbone interact. energy: 1.030 local terms energy: -273.863858 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -69.573 flat angles C4'-P-C4' energy: -60.299 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -35.361 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: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -514.852137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.852137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.852137 (E_RNA) where: Base-Base interactions energy: -289.239 where: short stacking energy: -138.837 Base-Backbone interact. energy: -1.365 local terms energy: -224.247952 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -47.798 flat angles P-C4'-P energy: -26.239 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -425.203253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.203253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.203253 (E_RNA) where: Base-Base interactions energy: -227.654 where: short stacking energy: -128.965 Base-Backbone interact. energy: -0.752 local terms energy: -196.796738 where: bonds (distance) C4'-P energy: -52.413 bonds (distance) P-C4' energy: -67.504 flat angles C4'-P-C4' energy: -42.952 flat angles P-C4'-P energy: -21.591 tors. eta vs tors. theta energy: -12.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -283.420514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.420514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.420514 (E_RNA) where: Base-Base interactions energy: -90.016 where: short stacking energy: -77.773 Base-Backbone interact. energy: 2.761 local terms energy: -196.165498 where: bonds (distance) C4'-P energy: -47.241 bonds (distance) P-C4' energy: -57.885 flat angles C4'-P-C4' energy: -48.551 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -9.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1238.113806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.113806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.113806 (E_RNA) where: Base-Base interactions energy: -859.184 where: short stacking energy: -355.919 Base-Backbone interact. energy: 1.880 local terms energy: -380.809676 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -65.033 flat angles C4'-P-C4' energy: -83.959 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: -111.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1144.885723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.885723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.885723 (E_RNA) where: Base-Base interactions energy: -763.599 where: short stacking energy: -319.149 Base-Backbone interact. energy: -2.811 local terms energy: -378.475301 where: bonds (distance) C4'-P energy: -71.246 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -84.983 flat angles P-C4'-P energy: -62.976 tors. eta vs tors. theta energy: -91.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1132.517847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.517847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.517847 (E_RNA) where: Base-Base interactions energy: -769.423 where: short stacking energy: -316.249 Base-Backbone interact. energy: -1.299 local terms energy: -361.796014 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -61.661 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -98.139 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: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1094.068982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.068982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.068982 (E_RNA) where: Base-Base interactions energy: -772.110 where: short stacking energy: -294.985 Base-Backbone interact. energy: -3.716 local terms energy: -318.242066 where: bonds (distance) C4'-P energy: -73.758 bonds (distance) P-C4' energy: -62.106 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -29.632 tors. eta vs tors. theta energy: -74.892 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: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -998.520746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.520746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.520746 (E_RNA) where: Base-Base interactions energy: -675.736 where: short stacking energy: -286.930 Base-Backbone interact. energy: -0.836 local terms energy: -321.948082 where: bonds (distance) C4'-P energy: -69.662 bonds (distance) P-C4' energy: -67.770 flat angles C4'-P-C4' energy: -68.783 flat angles P-C4'-P energy: -40.341 tors. eta vs tors. theta energy: -75.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -948.764155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.764155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.764155 (E_RNA) where: Base-Base interactions energy: -640.298 where: short stacking energy: -274.839 Base-Backbone interact. energy: -2.406 local terms energy: -306.060453 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -56.113 flat angles C4'-P-C4' energy: -73.942 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -75.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -667.757774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.757774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.757774 (E_RNA) where: Base-Base interactions energy: -387.380 where: short stacking energy: -214.526 Base-Backbone interact. energy: -1.538 local terms energy: -278.840300 where: bonds (distance) C4'-P energy: -55.854 bonds (distance) P-C4' energy: -72.094 flat angles C4'-P-C4' energy: -58.402 flat angles P-C4'-P energy: -44.359 tors. eta vs tors. theta energy: -48.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -489.252412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.252412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.252412 (E_RNA) where: Base-Base interactions energy: -259.813 where: short stacking energy: -144.716 Base-Backbone interact. energy: 10.194 local terms energy: -239.633596 where: bonds (distance) C4'-P energy: -68.193 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -58.780 flat angles P-C4'-P energy: -34.809 tors. eta vs tors. theta energy: -16.162 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: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -497.995563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.995563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.995563 (E_RNA) where: Base-Base interactions energy: -272.319 where: short stacking energy: -133.144 Base-Backbone interact. energy: -0.544 local terms energy: -225.132813 where: bonds (distance) C4'-P energy: -61.339 bonds (distance) P-C4' energy: -71.346 flat angles C4'-P-C4' energy: -51.210 flat angles P-C4'-P energy: -30.717 tors. eta vs tors. theta energy: -10.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -309.106545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.106545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.106545 (E_RNA) where: Base-Base interactions energy: -129.540 where: short stacking energy: -71.651 Base-Backbone interact. energy: -0.133 local terms energy: -179.433546 where: bonds (distance) C4'-P energy: -52.864 bonds (distance) P-C4' energy: -55.895 flat angles C4'-P-C4' energy: -50.010 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: 9.309 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: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1258.557276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.557276 (E_RNA) where: Base-Base interactions energy: -852.386 where: short stacking energy: -370.235 Base-Backbone interact. energy: -0.944 local terms energy: -405.226656 where: bonds (distance) C4'-P energy: -75.914 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -80.219 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -112.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1128.492090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.492090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.492090 (E_RNA) where: Base-Base interactions energy: -769.167 where: short stacking energy: -322.784 Base-Backbone interact. energy: -2.619 local terms energy: -356.705750 where: bonds (distance) C4'-P energy: -75.350 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: -88.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1157.861642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.861642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.861642 (E_RNA) where: Base-Base interactions energy: -830.726 where: short stacking energy: -321.662 Base-Backbone interact. energy: 0.204 local terms energy: -327.338810 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -75.209 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -78.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1097.216328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.216328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.216328 (E_RNA) where: Base-Base interactions energy: -761.662 where: short stacking energy: -306.939 Base-Backbone interact. energy: -0.472 local terms energy: -335.082407 where: bonds (distance) C4'-P energy: -74.461 bonds (distance) P-C4' energy: -56.823 flat angles C4'-P-C4' energy: -80.948 flat angles P-C4'-P energy: -43.362 tors. eta vs tors. theta energy: -79.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -997.111945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.111945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.111945 (E_RNA) where: Base-Base interactions energy: -661.446 where: short stacking energy: -286.494 Base-Backbone interact. energy: -1.036 local terms energy: -334.630643 where: bonds (distance) C4'-P energy: -61.125 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -59.002 tors. eta vs tors. theta energy: -84.656 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: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -931.218643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.218643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.218643 (E_RNA) where: Base-Base interactions energy: -616.827 where: short stacking energy: -262.521 Base-Backbone interact. energy: -1.595 local terms energy: -312.796466 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -68.391 flat angles P-C4'-P energy: -35.054 tors. eta vs tors. theta energy: -85.538 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: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -662.161026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.161026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.161026 (E_RNA) where: Base-Base interactions energy: -380.049 where: short stacking energy: -181.767 Base-Backbone interact. energy: 4.948 local terms energy: -287.059123 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -69.516 flat angles C4'-P-C4' energy: -52.055 flat angles P-C4'-P energy: -43.622 tors. eta vs tors. theta energy: -51.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -496.392254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.392254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.392254 (E_RNA) where: Base-Base interactions energy: -278.450 where: short stacking energy: -163.772 Base-Backbone interact. energy: 1.246 local terms energy: -219.188385 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -58.273 flat angles P-C4'-P energy: -37.121 tors. eta vs tors. theta energy: -15.374 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: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -475.136741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.136741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.136741 (E_RNA) where: Base-Base interactions energy: -242.469 where: short stacking energy: -132.920 Base-Backbone interact. energy: -0.024 local terms energy: -232.644397 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -56.475 flat angles C4'-P-C4' energy: -56.733 flat angles P-C4'-P energy: -43.544 tors. eta vs tors. theta energy: -23.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -319.388053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.388053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.388053 (E_RNA) where: Base-Base interactions energy: -132.409 where: short stacking energy: -100.459 Base-Backbone interact. energy: -0.928 local terms energy: -186.050981 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -55.016 flat angles C4'-P-C4' energy: -60.877 flat angles P-C4'-P energy: -14.473 tors. eta vs tors. theta energy: 2.590 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: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1235.393853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.393853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.393853 (E_RNA) where: Base-Base interactions energy: -835.420 where: short stacking energy: -350.474 Base-Backbone interact. energy: -1.337 local terms energy: -398.637065 where: bonds (distance) C4'-P energy: -84.590 bonds (distance) P-C4' energy: -72.749 flat angles C4'-P-C4' energy: -73.672 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -112.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1150.799782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.799782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.799782 (E_RNA) where: Base-Base interactions energy: -784.552 where: short stacking energy: -324.759 Base-Backbone interact. energy: -2.671 local terms energy: -363.576801 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -75.114 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -92.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1139.087509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.087509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.087509 (E_RNA) where: Base-Base interactions energy: -780.142 where: short stacking energy: -302.701 Base-Backbone interact. energy: -2.464 local terms energy: -356.481473 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -71.690 flat angles C4'-P-C4' energy: -75.948 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -91.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1109.795446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.795446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.795446 (E_RNA) where: Base-Base interactions energy: -773.678 where: short stacking energy: -314.548 Base-Backbone interact. energy: 3.032 local terms energy: -339.149114 where: bonds (distance) C4'-P energy: -73.940 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -43.672 tors. eta vs tors. theta energy: -83.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1001.161507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.161507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.161507 (E_RNA) where: Base-Base interactions energy: -676.821 where: short stacking energy: -279.424 Base-Backbone interact. energy: 0.814 local terms energy: -325.154869 where: bonds (distance) C4'-P energy: -61.940 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -75.975 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: 273 Temperature: 1.150000 Total energy: -911.598207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.598207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.598207 (E_RNA) where: Base-Base interactions energy: -573.607 where: short stacking energy: -262.567 Base-Backbone interact. energy: -0.941 local terms energy: -337.049814 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -76.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -664.846549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.846549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.846549 (E_RNA) where: Base-Base interactions energy: -395.666 where: short stacking energy: -205.063 Base-Backbone interact. energy: 1.941 local terms energy: -271.121824 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -57.575 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -46.610 tors. eta vs tors. theta energy: -41.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -601.737855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.737855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.737855 (E_RNA) where: Base-Base interactions energy: -349.292 where: short stacking energy: -179.496 Base-Backbone interact. energy: -0.201 local terms energy: -252.244437 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -52.862 flat angles P-C4'-P energy: -39.770 tors. eta vs tors. theta energy: -26.708 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: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -494.044148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.044148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.044148 (E_RNA) where: Base-Base interactions energy: -263.697 where: short stacking energy: -148.560 Base-Backbone interact. energy: -0.788 local terms energy: -229.559077 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -63.114 flat angles P-C4'-P energy: -30.282 tors. eta vs tors. theta energy: -14.143 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: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -325.701889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.701889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.701889 (E_RNA) where: Base-Base interactions energy: -143.499 where: short stacking energy: -84.879 Base-Backbone interact. energy: 1.317 local terms energy: -183.519274 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -48.684 flat angles P-C4'-P energy: -21.808 tors. eta vs tors. theta energy: 8.876 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: 274 Temperature: 0.900000 Total energy: -1233.747080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.747080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.747080 (E_RNA) where: Base-Base interactions energy: -847.937 where: short stacking energy: -349.982 Base-Backbone interact. energy: -3.268 local terms energy: -382.542740 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -74.355 flat angles P-C4'-P energy: -54.218 tors. eta vs tors. theta energy: -114.123 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: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1151.508608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.508608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.508608 (E_RNA) where: Base-Base interactions energy: -786.764 where: short stacking energy: -336.385 Base-Backbone interact. energy: -2.385 local terms energy: -362.360267 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -72.835 flat angles C4'-P-C4' energy: -82.975 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -96.614 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: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1097.621270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.621270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.621270 (E_RNA) where: Base-Base interactions energy: -755.781 where: short stacking energy: -308.451 Base-Backbone interact. energy: -1.935 local terms energy: -339.905672 where: bonds (distance) C4'-P energy: -52.782 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -52.780 tors. eta vs tors. theta energy: -80.675 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: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1121.854428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.854428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.854428 (E_RNA) where: Base-Base interactions energy: -790.420 where: short stacking energy: -287.483 Base-Backbone interact. energy: -1.459 local terms energy: -329.974905 where: bonds (distance) C4'-P energy: -67.772 bonds (distance) P-C4' energy: -54.820 flat angles C4'-P-C4' energy: -68.020 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -85.871 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: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1020.718106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.718106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.718106 (E_RNA) where: Base-Base interactions energy: -678.315 where: short stacking energy: -304.786 Base-Backbone interact. energy: -1.165 local terms energy: -341.238423 where: bonds (distance) C4'-P energy: -67.481 bonds (distance) P-C4' energy: -59.634 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -87.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -922.594192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.594192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.594192 (E_RNA) where: Base-Base interactions energy: -631.087 where: short stacking energy: -272.822 Base-Backbone interact. energy: -0.852 local terms energy: -290.654575 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -59.966 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -71.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -597.819299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.819299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.819299 (E_RNA) where: Base-Base interactions energy: -332.855 where: short stacking energy: -155.127 Base-Backbone interact. energy: -0.163 local terms energy: -264.801130 where: bonds (distance) C4'-P energy: -56.684 bonds (distance) P-C4' energy: -77.900 flat angles C4'-P-C4' energy: -64.908 flat angles P-C4'-P energy: -36.571 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: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -577.642039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.642039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.642039 (E_RNA) where: Base-Base interactions energy: -337.998 where: short stacking energy: -166.559 Base-Backbone interact. energy: 0.311 local terms energy: -239.954830 where: bonds (distance) C4'-P energy: -44.473 bonds (distance) P-C4' energy: -66.022 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -33.420 tors. eta vs tors. theta energy: -30.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -472.650541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.650541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.650541 (E_RNA) where: Base-Base interactions energy: -246.508 where: short stacking energy: -131.453 Base-Backbone interact. energy: -0.402 local terms energy: -225.740489 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -52.485 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -34.723 tors. eta vs tors. theta energy: -18.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -354.421166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.421166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.421166 (E_RNA) where: Base-Base interactions energy: -155.696 where: short stacking energy: -86.979 Base-Backbone interact. energy: -1.208 local terms energy: -197.516660 where: bonds (distance) C4'-P energy: -57.192 bonds (distance) P-C4' energy: -55.228 flat angles C4'-P-C4' energy: -49.049 flat angles P-C4'-P energy: -34.599 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1260.772745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.772745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.772745 (E_RNA) where: Base-Base interactions energy: -870.359 where: short stacking energy: -358.477 Base-Backbone interact. energy: -1.630 local terms energy: -388.784408 where: bonds (distance) C4'-P energy: -67.870 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -106.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1163.526032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.526032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.526032 (E_RNA) where: Base-Base interactions energy: -781.261 where: short stacking energy: -345.020 Base-Backbone interact. energy: -2.982 local terms energy: -379.282691 where: bonds (distance) C4'-P energy: -75.893 bonds (distance) P-C4' energy: -64.737 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -45.680 tors. eta vs tors. theta energy: -108.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1125.595415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.595415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.595415 (E_RNA) where: Base-Base interactions energy: -762.316 where: short stacking energy: -344.672 Base-Backbone interact. energy: -0.998 local terms energy: -362.281717 where: bonds (distance) C4'-P energy: -53.811 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -52.770 tors. eta vs tors. theta energy: -107.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1100.875416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.875416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.875416 (E_RNA) where: Base-Base interactions energy: -772.071 where: short stacking energy: -290.016 Base-Backbone interact. energy: 0.182 local terms energy: -328.986036 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -66.045 flat angles C4'-P-C4' energy: -78.987 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -79.998 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: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -988.909928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.909928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.909928 (E_RNA) where: Base-Base interactions energy: -656.383 where: short stacking energy: -294.006 Base-Backbone interact. energy: 1.793 local terms energy: -334.319899 where: bonds (distance) C4'-P energy: -66.201 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -77.860 flat angles P-C4'-P energy: -42.956 tors. eta vs tors. theta energy: -83.881 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: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -958.294805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.294805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.294805 (E_RNA) where: Base-Base interactions energy: -629.939 where: short stacking energy: -270.860 Base-Backbone interact. energy: -2.078 local terms energy: -326.277804 where: bonds (distance) C4'-P energy: -46.940 bonds (distance) P-C4' energy: -73.877 flat angles C4'-P-C4' energy: -66.320 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -80.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -643.653506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.653506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.653506 (E_RNA) where: Base-Base interactions energy: -368.995 where: short stacking energy: -192.269 Base-Backbone interact. energy: 0.357 local terms energy: -275.015202 where: bonds (distance) C4'-P energy: -61.083 bonds (distance) P-C4' energy: -57.151 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -42.434 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: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -641.417477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.417477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.417477 (E_RNA) where: Base-Base interactions energy: -382.430 where: short stacking energy: -182.401 Base-Backbone interact. energy: -1.476 local terms energy: -257.511166 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -54.381 flat angles C4'-P-C4' energy: -66.790 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -32.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -468.154173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.154173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.154173 (E_RNA) where: Base-Base interactions energy: -226.117 where: short stacking energy: -115.191 Base-Backbone interact. energy: 0.923 local terms energy: -242.960279 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -13.625 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: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -295.466612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.466612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.466612 (E_RNA) where: Base-Base interactions energy: -122.648 where: short stacking energy: -89.930 Base-Backbone interact. energy: -1.745 local terms energy: -171.073295 where: bonds (distance) C4'-P energy: -62.296 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -29.289 flat angles P-C4'-P energy: -27.332 tors. eta vs tors. theta energy: 5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1243.306956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.306956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.306956 (E_RNA) where: Base-Base interactions energy: -846.199 where: short stacking energy: -369.224 Base-Backbone interact. energy: 0.036 local terms energy: -397.144032 where: bonds (distance) C4'-P energy: -78.452 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -87.509 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -103.288 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: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1174.197585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.197585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.197585 (E_RNA) where: Base-Base interactions energy: -801.857 where: short stacking energy: -351.426 Base-Backbone interact. energy: -2.017 local terms energy: -370.323542 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -67.588 flat angles C4'-P-C4' energy: -81.250 flat angles P-C4'-P energy: -53.548 tors. eta vs tors. theta energy: -103.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1132.718640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.718640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.718640 (E_RNA) where: Base-Base interactions energy: -779.356 where: short stacking energy: -327.916 Base-Backbone interact. energy: -0.677 local terms energy: -352.685412 where: bonds (distance) C4'-P energy: -69.912 bonds (distance) P-C4' energy: -61.797 flat angles C4'-P-C4' energy: -78.599 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -102.567 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: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1086.828123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.828123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.828123 (E_RNA) where: Base-Base interactions energy: -768.100 where: short stacking energy: -280.725 Base-Backbone interact. energy: 4.708 local terms energy: -323.436280 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -73.004 flat angles C4'-P-C4' energy: -80.667 flat angles P-C4'-P energy: -38.574 tors. eta vs tors. theta energy: -72.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -974.232902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.232902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.232902 (E_RNA) where: Base-Base interactions energy: -655.876 where: short stacking energy: -261.510 Base-Backbone interact. energy: -2.132 local terms energy: -316.224364 where: bonds (distance) C4'-P energy: -56.124 bonds (distance) P-C4' energy: -72.931 flat angles C4'-P-C4' energy: -71.438 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -907.541286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.541286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.541286 (E_RNA) where: Base-Base interactions energy: -603.221 where: short stacking energy: -263.266 Base-Backbone interact. energy: -0.282 local terms energy: -304.038013 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -61.095 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -66.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -656.909671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.909671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.909671 (E_RNA) where: Base-Base interactions energy: -380.948 where: short stacking energy: -203.123 Base-Backbone interact. energy: -1.941 local terms energy: -274.020327 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -62.404 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -44.573 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: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -624.053099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.053099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.053099 (E_RNA) where: Base-Base interactions energy: -354.389 where: short stacking energy: -177.125 Base-Backbone interact. energy: -1.898 local terms energy: -267.766420 where: bonds (distance) C4'-P energy: -55.243 bonds (distance) P-C4' energy: -79.424 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -36.007 tors. eta vs tors. theta energy: -33.317 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -480.493014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.493014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.493014 (E_RNA) where: Base-Base interactions energy: -261.768 where: short stacking energy: -106.563 Base-Backbone interact. energy: -0.827 local terms energy: -217.898087 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -58.423 flat angles P-C4'-P energy: -42.323 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -325.062510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.062510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.062510 (E_RNA) where: Base-Base interactions energy: -130.134 where: short stacking energy: -76.680 Base-Backbone interact. energy: 1.014 local terms energy: -195.943264 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -58.129 flat angles P-C4'-P energy: -31.994 tors. eta vs tors. theta energy: 16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1246.624618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.624618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.624618 (E_RNA) where: Base-Base interactions energy: -857.897 where: short stacking energy: -362.797 Base-Backbone interact. energy: -0.450 local terms energy: -388.277621 where: bonds (distance) C4'-P energy: -64.288 bonds (distance) P-C4' energy: -75.272 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -108.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1160.255820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.255820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.255820 (E_RNA) where: Base-Base interactions energy: -789.972 where: short stacking energy: -350.639 Base-Backbone interact. energy: -1.018 local terms energy: -369.266161 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -77.079 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -104.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1105.343385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.343385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.343385 (E_RNA) where: Base-Base interactions energy: -753.500 where: short stacking energy: -322.427 Base-Backbone interact. energy: -0.743 local terms energy: -351.100547 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -67.580 flat angles P-C4'-P energy: -48.451 tors. eta vs tors. theta energy: -94.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1085.007913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.007913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.007913 (E_RNA) where: Base-Base interactions energy: -742.434 where: short stacking energy: -294.338 Base-Backbone interact. energy: 0.469 local terms energy: -343.042879 where: bonds (distance) C4'-P energy: -71.666 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -71.615 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -83.287 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: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -999.539826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.539826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.539826 (E_RNA) where: Base-Base interactions energy: -657.361 where: short stacking energy: -290.608 Base-Backbone interact. energy: -0.588 local terms energy: -341.591454 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -77.230 flat angles P-C4'-P energy: -47.619 tors. eta vs tors. theta energy: -79.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -923.233326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.233326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.233326 (E_RNA) where: Base-Base interactions energy: -592.836 where: short stacking energy: -262.874 Base-Backbone interact. energy: -0.213 local terms energy: -330.183419 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -76.071 flat angles C4'-P-C4' energy: -76.576 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -79.877 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: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -669.087191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.087191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.087191 (E_RNA) where: Base-Base interactions energy: -375.872 where: short stacking energy: -196.489 Base-Backbone interact. energy: -0.252 local terms energy: -292.963225 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -76.656 flat angles C4'-P-C4' energy: -74.413 flat angles P-C4'-P energy: -36.908 tors. eta vs tors. theta energy: -47.772 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: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -586.468509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.468509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.468509 (E_RNA) where: Base-Base interactions energy: -328.805 where: short stacking energy: -185.515 Base-Backbone interact. energy: -0.524 local terms energy: -257.139991 where: bonds (distance) C4'-P energy: -56.394 bonds (distance) P-C4' energy: -58.366 flat angles C4'-P-C4' energy: -64.699 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -40.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -492.203546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.203546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.203546 (E_RNA) where: Base-Base interactions energy: -263.787 where: short stacking energy: -122.133 Base-Backbone interact. energy: 2.079 local terms energy: -230.495621 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -73.021 flat angles C4'-P-C4' energy: -57.335 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: 1.263 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: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -288.292091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.292091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.292091 (E_RNA) where: Base-Base interactions energy: -81.410 where: short stacking energy: -71.922 Base-Backbone interact. energy: -0.923 local terms energy: -205.959110 where: bonds (distance) C4'-P energy: -62.118 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -63.422 flat angles P-C4'-P energy: -26.010 tors. eta vs tors. theta energy: 8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1176.439425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.439425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.439425 (E_RNA) where: Base-Base interactions energy: -787.193 where: short stacking energy: -353.984 Base-Backbone interact. energy: 0.387 local terms energy: -389.632979 where: bonds (distance) C4'-P energy: -82.104 bonds (distance) P-C4' energy: -68.698 flat angles C4'-P-C4' energy: -79.547 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: -108.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1214.978495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.978495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.978495 (E_RNA) where: Base-Base interactions energy: -845.207 where: short stacking energy: -361.164 Base-Backbone interact. energy: -0.093 local terms energy: -369.678524 where: bonds (distance) C4'-P energy: -60.817 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -79.226 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -108.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1125.308580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.308580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.308580 (E_RNA) where: Base-Base interactions energy: -784.102 where: short stacking energy: -298.269 Base-Backbone interact. energy: -0.840 local terms energy: -340.366704 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -68.181 flat angles C4'-P-C4' energy: -75.412 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -92.139 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: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1062.522431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.522431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.522431 (E_RNA) where: Base-Base interactions energy: -710.414 where: short stacking energy: -307.372 Base-Backbone interact. energy: -0.077 local terms energy: -352.030711 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -91.887 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: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -987.172835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.172835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.172835 (E_RNA) where: Base-Base interactions energy: -660.162 where: short stacking energy: -279.634 Base-Backbone interact. energy: 2.412 local terms energy: -329.422059 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -58.406 flat angles C4'-P-C4' energy: -77.878 flat angles P-C4'-P energy: -52.853 tors. eta vs tors. theta energy: -75.236 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: 278 Temperature: 1.150000 Total energy: -940.590551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.590551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.590551 (E_RNA) where: Base-Base interactions energy: -609.112 where: short stacking energy: -272.553 Base-Backbone interact. energy: -0.155 local terms energy: -331.323027 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -63.302 flat angles C4'-P-C4' energy: -78.959 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -72.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -650.041188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.041188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.041188 (E_RNA) where: Base-Base interactions energy: -375.712 where: short stacking energy: -186.297 Base-Backbone interact. energy: -0.669 local terms energy: -273.660129 where: bonds (distance) C4'-P energy: -57.502 bonds (distance) P-C4' energy: -65.265 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -45.647 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: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -602.445815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.445815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.445815 (E_RNA) where: Base-Base interactions energy: -371.753 where: short stacking energy: -175.094 Base-Backbone interact. energy: -2.395 local terms energy: -228.297526 where: bonds (distance) C4'-P energy: -44.735 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -23.679 tors. eta vs tors. theta energy: -33.418 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: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -475.397227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.397227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.397227 (E_RNA) where: Base-Base interactions energy: -241.092 where: short stacking energy: -141.558 Base-Backbone interact. energy: 1.680 local terms energy: -235.985113 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -61.866 flat angles C4'-P-C4' energy: -51.842 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -21.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -311.925783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.925783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.925783 (E_RNA) where: Base-Base interactions energy: -100.760 where: short stacking energy: -87.962 Base-Backbone interact. energy: -1.800 local terms energy: -209.366106 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -56.728 flat angles P-C4'-P energy: -35.546 tors. eta vs tors. theta energy: 4.671 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1202.680940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.680940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.680940 (E_RNA) where: Base-Base interactions energy: -811.463 where: short stacking energy: -368.367 Base-Backbone interact. energy: -0.387 local terms energy: -390.831330 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -78.516 flat angles P-C4'-P energy: -56.301 tors. eta vs tors. theta energy: -108.054 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: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1217.154466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.154466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.154466 (E_RNA) where: Base-Base interactions energy: -840.982 where: short stacking energy: -363.236 Base-Backbone interact. energy: 0.512 local terms energy: -376.684437 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -73.016 flat angles C4'-P-C4' energy: -80.965 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -102.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1109.856971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.856971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.856971 (E_RNA) where: Base-Base interactions energy: -776.982 where: short stacking energy: -317.320 Base-Backbone interact. energy: -3.898 local terms energy: -328.977331 where: bonds (distance) C4'-P energy: -66.091 bonds (distance) P-C4' energy: -54.612 flat angles C4'-P-C4' energy: -74.366 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -90.223 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: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1026.899729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.899729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.899729 (E_RNA) where: Base-Base interactions energy: -692.126 where: short stacking energy: -300.044 Base-Backbone interact. energy: -1.180 local terms energy: -333.593800 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -65.215 flat angles C4'-P-C4' energy: -74.029 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -85.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1063.192217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.192217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.192217 (E_RNA) where: Base-Base interactions energy: -715.941 where: short stacking energy: -282.064 Base-Backbone interact. energy: -1.101 local terms energy: -346.150327 where: bonds (distance) C4'-P energy: -70.698 bonds (distance) P-C4' energy: -57.157 flat angles C4'-P-C4' energy: -81.996 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -93.450 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: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -903.048276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.048276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.048276 (E_RNA) where: Base-Base interactions energy: -585.229 where: short stacking energy: -263.900 Base-Backbone interact. energy: -1.980 local terms energy: -315.838774 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -72.172 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -67.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -648.445058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.445058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.445058 (E_RNA) where: Base-Base interactions energy: -352.590 where: short stacking energy: -179.761 Base-Backbone interact. energy: -2.243 local terms energy: -293.611984 where: bonds (distance) C4'-P energy: -59.919 bonds (distance) P-C4' energy: -64.340 flat angles C4'-P-C4' energy: -72.592 flat angles P-C4'-P energy: -50.094 tors. eta vs tors. theta energy: -46.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -554.450412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.450412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.450412 (E_RNA) where: Base-Base interactions energy: -306.601 where: short stacking energy: -153.360 Base-Backbone interact. energy: -0.448 local terms energy: -247.401774 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -69.722 flat angles C4'-P-C4' energy: -56.769 flat angles P-C4'-P energy: -37.347 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: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -488.998315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.998315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.998315 (E_RNA) where: Base-Base interactions energy: -267.406 where: short stacking energy: -134.013 Base-Backbone interact. energy: -2.437 local terms energy: -219.155103 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -63.729 flat angles C4'-P-C4' energy: -47.194 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -314.818866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.818866 (E_RNA) where: Base-Base interactions energy: -122.069 where: short stacking energy: -59.881 Base-Backbone interact. energy: 1.631 local terms energy: -194.380887 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -69.929 flat angles C4'-P-C4' energy: -52.599 flat angles P-C4'-P energy: -22.381 tors. eta vs tors. theta energy: 19.354 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: 280 Temperature: 0.900000 Total energy: -1255.023295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.023295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.023295 (E_RNA) where: Base-Base interactions energy: -863.156 where: short stacking energy: -388.275 Base-Backbone interact. energy: 0.682 local terms energy: -392.548512 where: bonds (distance) C4'-P energy: -67.850 bonds (distance) P-C4' energy: -77.625 flat angles C4'-P-C4' energy: -81.091 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -113.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1183.527146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.527146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.527146 (E_RNA) where: Base-Base interactions energy: -798.307 where: short stacking energy: -356.994 Base-Backbone interact. energy: 2.300 local terms energy: -387.520967 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -68.164 flat angles C4'-P-C4' energy: -76.205 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -108.193 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: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1131.563517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.563517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.563517 (E_RNA) where: Base-Base interactions energy: -811.950 where: short stacking energy: -303.820 Base-Backbone interact. energy: -1.883 local terms energy: -317.729929 where: bonds (distance) C4'-P energy: -54.587 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -74.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1033.526996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.526996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.526996 (E_RNA) where: Base-Base interactions energy: -689.794 where: short stacking energy: -304.212 Base-Backbone interact. energy: 2.899 local terms energy: -346.632460 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -67.015 flat angles C4'-P-C4' energy: -67.831 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -84.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1043.470414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.470414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.470414 (E_RNA) where: Base-Base interactions energy: -733.586 where: short stacking energy: -287.940 Base-Backbone interact. energy: 0.874 local terms energy: -310.758614 where: bonds (distance) C4'-P energy: -46.175 bonds (distance) P-C4' energy: -73.125 flat angles C4'-P-C4' energy: -66.039 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -84.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -903.716318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.716318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.716318 (E_RNA) where: Base-Base interactions energy: -583.038 where: short stacking energy: -223.805 Base-Backbone interact. energy: -0.355 local terms energy: -320.322905 where: bonds (distance) C4'-P energy: -54.184 bonds (distance) P-C4' energy: -81.119 flat angles C4'-P-C4' energy: -69.556 flat angles P-C4'-P energy: -49.783 tors. eta vs tors. theta energy: -65.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -630.317126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.317126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.317126 (E_RNA) where: Base-Base interactions energy: -355.170 where: short stacking energy: -165.113 Base-Backbone interact. energy: -2.719 local terms energy: -272.427834 where: bonds (distance) C4'-P energy: -73.204 bonds (distance) P-C4' energy: -66.158 flat angles C4'-P-C4' energy: -62.115 flat angles P-C4'-P energy: -37.073 tors. eta vs tors. theta energy: -33.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -522.604301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.604301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.604301 (E_RNA) where: Base-Base interactions energy: -287.236 where: short stacking energy: -147.998 Base-Backbone interact. energy: -1.650 local terms energy: -233.717753 where: bonds (distance) C4'-P energy: -53.311 bonds (distance) P-C4' energy: -57.336 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -22.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -465.451556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.451556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.451556 (E_RNA) where: Base-Base interactions energy: -248.614 where: short stacking energy: -129.271 Base-Backbone interact. energy: 0.289 local terms energy: -217.127231 where: bonds (distance) C4'-P energy: -64.466 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -49.867 flat angles P-C4'-P energy: -32.721 tors. eta vs tors. theta energy: -11.167 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: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -374.254837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.254837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.254837 (E_RNA) where: Base-Base interactions energy: -203.327 where: short stacking energy: -109.564 Base-Backbone interact. energy: -0.193 local terms energy: -170.734922 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -67.370 flat angles C4'-P-C4' energy: -34.156 flat angles P-C4'-P energy: -22.632 tors. eta vs tors. theta energy: 15.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1248.524895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.524895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.524895 (E_RNA) where: Base-Base interactions energy: -845.213 where: short stacking energy: -362.521 Base-Backbone interact. energy: -0.688 local terms energy: -402.623504 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -78.173 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: -113.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1166.324838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.324838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.324838 (E_RNA) where: Base-Base interactions energy: -790.520 where: short stacking energy: -347.965 Base-Backbone interact. energy: -2.266 local terms energy: -373.539196 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -76.063 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -48.810 tors. eta vs tors. theta energy: -101.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1090.446238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.446238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.446238 (E_RNA) where: Base-Base interactions energy: -759.256 where: short stacking energy: -289.393 Base-Backbone interact. energy: -1.317 local terms energy: -329.874161 where: bonds (distance) C4'-P energy: -65.951 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -72.263 flat angles P-C4'-P energy: -47.724 tors. eta vs tors. theta energy: -78.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1095.459379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.459379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.459379 (E_RNA) where: Base-Base interactions energy: -735.173 where: short stacking energy: -299.473 Base-Backbone interact. energy: 1.845 local terms energy: -362.131088 where: bonds (distance) C4'-P energy: -71.218 bonds (distance) P-C4' energy: -75.832 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -50.497 tors. eta vs tors. theta energy: -90.726 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: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -985.397921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.397921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.397921 (E_RNA) where: Base-Base interactions energy: -656.855 where: short stacking energy: -309.941 Base-Backbone interact. energy: -1.005 local terms energy: -327.537980 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -64.346 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -94.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -899.133195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.133195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.133195 (E_RNA) where: Base-Base interactions energy: -592.586 where: short stacking energy: -253.474 Base-Backbone interact. energy: -0.867 local terms energy: -305.679530 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -72.185 flat angles C4'-P-C4' energy: -68.302 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -62.518 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: 281 Temperature: 1.200000 Total energy: -595.564176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.564176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.564176 (E_RNA) where: Base-Base interactions energy: -349.594 where: short stacking energy: -168.819 Base-Backbone interact. energy: -0.175 local terms energy: -245.794837 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -50.074 flat angles C4'-P-C4' energy: -55.586 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: -25.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -561.349171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.349171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.349171 (E_RNA) where: Base-Base interactions energy: -284.075 where: short stacking energy: -151.368 Base-Backbone interact. energy: 1.033 local terms energy: -278.307678 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -76.620 flat angles C4'-P-C4' energy: -65.151 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -22.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -463.436149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.436149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.436149 (E_RNA) where: Base-Base interactions energy: -235.441 where: short stacking energy: -123.077 Base-Backbone interact. energy: -4.331 local terms energy: -223.663989 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -59.904 flat angles C4'-P-C4' energy: -54.297 flat angles P-C4'-P energy: -37.692 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -372.270937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.270937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.270937 (E_RNA) where: Base-Base interactions energy: -180.640 where: short stacking energy: -93.817 Base-Backbone interact. energy: 3.093 local terms energy: -194.724351 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -50.538 flat angles P-C4'-P energy: -29.409 tors. eta vs tors. theta energy: 5.922 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: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1216.522134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.522134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.522134 (E_RNA) where: Base-Base interactions energy: -838.791 where: short stacking energy: -356.544 Base-Backbone interact. energy: 0.815 local terms energy: -378.545692 where: bonds (distance) C4'-P energy: -77.022 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: -106.105 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1191.061465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.061465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.061465 (E_RNA) where: Base-Base interactions energy: -802.890 where: short stacking energy: -344.955 Base-Backbone interact. energy: -2.001 local terms energy: -386.170377 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -59.458 tors. eta vs tors. theta energy: -107.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1139.848057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.848057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.848057 (E_RNA) where: Base-Base interactions energy: -780.830 where: short stacking energy: -337.700 Base-Backbone interact. energy: -1.886 local terms energy: -357.131735 where: bonds (distance) C4'-P energy: -63.145 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -73.223 flat angles P-C4'-P energy: -52.157 tors. eta vs tors. theta energy: -102.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1098.863006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.863006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.863006 (E_RNA) where: Base-Base interactions energy: -745.940 where: short stacking energy: -283.351 Base-Backbone interact. energy: -1.683 local terms energy: -351.239931 where: bonds (distance) C4'-P energy: -68.874 bonds (distance) P-C4' energy: -73.891 flat angles C4'-P-C4' energy: -73.440 flat angles P-C4'-P energy: -52.387 tors. eta vs tors. theta energy: -82.649 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: 5, replica: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -980.331362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.331362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.331362 (E_RNA) where: Base-Base interactions energy: -646.828 where: short stacking energy: -266.567 Base-Backbone interact. energy: -2.618 local terms energy: -330.885456 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -77.496 flat angles C4'-P-C4' energy: -65.074 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -74.616 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: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -867.347919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.347919 (E_RNA) where: Base-Base interactions energy: -544.228 where: short stacking energy: -241.236 Base-Backbone interact. energy: -1.108 local terms energy: -322.011818 where: bonds (distance) C4'-P energy: -68.941 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -68.552 flat angles P-C4'-P energy: -49.967 tors. eta vs tors. theta energy: -74.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -611.721940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.721940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.721940 (E_RNA) where: Base-Base interactions energy: -364.545 where: short stacking energy: -179.751 Base-Backbone interact. energy: 1.332 local terms energy: -248.508552 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -53.022 flat angles C4'-P-C4' energy: -56.883 flat angles P-C4'-P energy: -42.120 tors. eta vs tors. theta energy: -26.132 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: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -583.832764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.832764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.832764 (E_RNA) where: Base-Base interactions energy: -338.055 where: short stacking energy: -184.616 Base-Backbone interact. energy: 3.786 local terms energy: -249.564682 where: bonds (distance) C4'-P energy: -62.125 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -66.629 flat angles P-C4'-P energy: -25.628 tors. eta vs tors. theta energy: -32.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -472.511624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.511624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.511624 (E_RNA) where: Base-Base interactions energy: -269.408 where: short stacking energy: -119.117 Base-Backbone interact. energy: -2.279 local terms energy: -200.825320 where: bonds (distance) C4'-P energy: -55.299 bonds (distance) P-C4' energy: -61.456 flat angles C4'-P-C4' energy: -58.626 flat angles P-C4'-P energy: -29.528 tors. eta vs tors. theta energy: 4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -373.256788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.256788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.256788 (E_RNA) where: Base-Base interactions energy: -160.858 where: short stacking energy: -107.707 Base-Backbone interact. energy: -1.968 local terms energy: -210.430788 where: bonds (distance) C4'-P energy: -68.642 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -45.945 flat angles P-C4'-P energy: -30.214 tors. eta vs tors. theta energy: -3.891 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: 283 Temperature: 0.900000 Total energy: -1242.006711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.006711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.006711 (E_RNA) where: Base-Base interactions energy: -872.865 where: short stacking energy: -352.517 Base-Backbone interact. energy: -1.116 local terms energy: -368.025880 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -73.713 flat angles P-C4'-P energy: -60.432 tors. eta vs tors. theta energy: -107.285 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: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1186.757854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.757854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.757854 (E_RNA) where: Base-Base interactions energy: -803.225 where: short stacking energy: -340.156 Base-Backbone interact. energy: -0.275 local terms energy: -383.257577 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -77.137 flat angles C4'-P-C4' energy: -78.284 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -106.199 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: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1161.028447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.028447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.028447 (E_RNA) where: Base-Base interactions energy: -791.051 where: short stacking energy: -345.598 Base-Backbone interact. energy: 2.731 local terms energy: -372.708337 where: bonds (distance) C4'-P energy: -60.067 bonds (distance) P-C4' energy: -67.965 flat angles C4'-P-C4' energy: -75.883 flat angles P-C4'-P energy: -61.892 tors. eta vs tors. theta energy: -106.902 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: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1098.388347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.388347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.388347 (E_RNA) where: Base-Base interactions energy: -757.226 where: short stacking energy: -296.698 Base-Backbone interact. energy: -1.580 local terms energy: -339.581881 where: bonds (distance) C4'-P energy: -54.811 bonds (distance) P-C4' energy: -75.954 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -76.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -989.041086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.041086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.041086 (E_RNA) where: Base-Base interactions energy: -642.107 where: short stacking energy: -269.129 Base-Backbone interact. energy: -1.739 local terms energy: -345.195120 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -77.195 flat angles C4'-P-C4' energy: -76.588 flat angles P-C4'-P energy: -42.432 tors. eta vs tors. theta energy: -82.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -880.208675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.208675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.208675 (E_RNA) where: Base-Base interactions energy: -571.090 where: short stacking energy: -241.668 Base-Backbone interact. energy: 1.292 local terms energy: -310.411057 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -71.425 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -63.386 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: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -615.652960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.652960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.652960 (E_RNA) where: Base-Base interactions energy: -344.037 where: short stacking energy: -165.045 Base-Backbone interact. energy: -0.560 local terms energy: -271.055573 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -33.373 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: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -582.588090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.588090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.588090 (E_RNA) where: Base-Base interactions energy: -341.640 where: short stacking energy: -178.760 Base-Backbone interact. energy: -0.584 local terms energy: -240.364418 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -61.857 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -28.212 tors. eta vs tors. theta energy: -22.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -501.521262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.521262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.521262 (E_RNA) where: Base-Base interactions energy: -285.168 where: short stacking energy: -125.584 Base-Backbone interact. energy: -0.347 local terms energy: -216.006358 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -44.085 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -392.100946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.100946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.100946 (E_RNA) where: Base-Base interactions energy: -189.114 where: short stacking energy: -98.810 Base-Backbone interact. energy: -1.537 local terms energy: -201.450796 where: bonds (distance) C4'-P energy: -67.190 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -52.960 flat angles P-C4'-P energy: -25.232 tors. eta vs tors. theta energy: 8.191 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: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1273.767591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.767591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.767591 (E_RNA) where: Base-Base interactions energy: -874.899 where: short stacking energy: -372.393 Base-Backbone interact. energy: -0.371 local terms energy: -398.497025 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -83.608 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -110.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1202.300592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.300592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.300592 (E_RNA) where: Base-Base interactions energy: -831.302 where: short stacking energy: -347.354 Base-Backbone interact. energy: 4.752 local terms energy: -375.751420 where: bonds (distance) C4'-P energy: -71.726 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -81.961 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -107.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1173.079820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.079820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.079820 (E_RNA) where: Base-Base interactions energy: -798.760 where: short stacking energy: -344.193 Base-Backbone interact. energy: -0.600 local terms energy: -373.719241 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -74.245 flat angles P-C4'-P energy: -48.968 tors. eta vs tors. theta energy: -99.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1122.127316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.127316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.127316 (E_RNA) where: Base-Base interactions energy: -779.463 where: short stacking energy: -309.886 Base-Backbone interact. energy: -2.278 local terms energy: -340.385829 where: bonds (distance) C4'-P energy: -63.527 bonds (distance) P-C4' energy: -72.233 flat angles C4'-P-C4' energy: -74.411 flat angles P-C4'-P energy: -49.565 tors. eta vs tors. theta energy: -80.651 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: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -988.997628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.997628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.997628 (E_RNA) where: Base-Base interactions energy: -664.279 where: short stacking energy: -287.715 Base-Backbone interact. energy: -2.126 local terms energy: -322.592824 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -69.243 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -36.022 tors. eta vs tors. theta energy: -82.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -895.727651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.727651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.727651 (E_RNA) where: Base-Base interactions energy: -593.482 where: short stacking energy: -260.970 Base-Backbone interact. energy: -1.200 local terms energy: -301.045607 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -77.378 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -74.374 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: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -642.786704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.786704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.786704 (E_RNA) where: Base-Base interactions energy: -380.839 where: short stacking energy: -182.452 Base-Backbone interact. energy: -0.942 local terms energy: -261.005549 where: bonds (distance) C4'-P energy: -61.823 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -75.180 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -30.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -572.614317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.614317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.614317 (E_RNA) where: Base-Base interactions energy: -334.420 where: short stacking energy: -161.345 Base-Backbone interact. energy: 0.849 local terms energy: -239.042460 where: bonds (distance) C4'-P energy: -47.440 bonds (distance) P-C4' energy: -73.921 flat angles C4'-P-C4' energy: -55.884 flat angles P-C4'-P energy: -29.992 tors. eta vs tors. theta energy: -31.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -446.470794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.470794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.470794 (E_RNA) where: Base-Base interactions energy: -227.664 where: short stacking energy: -137.757 Base-Backbone interact. energy: 0.314 local terms energy: -219.120732 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -52.675 flat angles C4'-P-C4' energy: -64.686 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -5.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -404.989693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.989693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.989693 (E_RNA) where: Base-Base interactions energy: -214.934 where: short stacking energy: -128.388 Base-Backbone interact. energy: 1.825 local terms energy: -191.880560 where: bonds (distance) C4'-P energy: -55.663 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -52.506 flat angles P-C4'-P energy: -32.013 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1257.053807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.053807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.053807 (E_RNA) where: Base-Base interactions energy: -873.647 where: short stacking energy: -362.824 Base-Backbone interact. energy: -0.131 local terms energy: -383.275312 where: bonds (distance) C4'-P energy: -72.311 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -82.160 flat angles P-C4'-P energy: -60.942 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: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1162.155100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.155100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.155100 (E_RNA) where: Base-Base interactions energy: -808.767 where: short stacking energy: -347.666 Base-Backbone interact. energy: -0.226 local terms energy: -353.162751 where: bonds (distance) C4'-P energy: -61.846 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -73.919 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -97.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1121.407600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.407600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.407600 (E_RNA) where: Base-Base interactions energy: -747.103 where: short stacking energy: -317.853 Base-Backbone interact. energy: -0.456 local terms energy: -373.848544 where: bonds (distance) C4'-P energy: -70.607 bonds (distance) P-C4' energy: -67.376 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -60.994 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: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1108.068511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.068511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.068511 (E_RNA) where: Base-Base interactions energy: -774.607 where: short stacking energy: -308.608 Base-Backbone interact. energy: -0.962 local terms energy: -332.499694 where: bonds (distance) C4'-P energy: -65.151 bonds (distance) P-C4' energy: -68.033 flat angles C4'-P-C4' energy: -73.916 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -88.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -960.119024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.119024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.119024 (E_RNA) where: Base-Base interactions energy: -641.450 where: short stacking energy: -267.806 Base-Backbone interact. energy: -0.887 local terms energy: -317.782797 where: bonds (distance) C4'-P energy: -59.919 bonds (distance) P-C4' energy: -70.643 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -72.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -885.343058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.343058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.343058 (E_RNA) where: Base-Base interactions energy: -575.485 where: short stacking energy: -255.079 Base-Backbone interact. energy: 0.387 local terms energy: -310.245241 where: bonds (distance) C4'-P energy: -63.278 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -79.763 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: -56.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -632.423552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.423552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.423552 (E_RNA) where: Base-Base interactions energy: -353.006 where: short stacking energy: -183.059 Base-Backbone interact. energy: -0.353 local terms energy: -279.064761 where: bonds (distance) C4'-P energy: -65.494 bonds (distance) P-C4' energy: -77.086 flat angles C4'-P-C4' energy: -56.957 flat angles P-C4'-P energy: -36.682 tors. eta vs tors. theta energy: -42.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -564.377506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.377506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.377506 (E_RNA) where: Base-Base interactions energy: -327.614 where: short stacking energy: -161.671 Base-Backbone interact. energy: -0.059 local terms energy: -236.704837 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -57.605 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -449.804725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.804725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.804725 (E_RNA) where: Base-Base interactions energy: -253.286 where: short stacking energy: -130.649 Base-Backbone interact. energy: -1.209 local terms energy: -195.309337 where: bonds (distance) C4'-P energy: -52.789 bonds (distance) P-C4' energy: -71.010 flat angles C4'-P-C4' energy: -41.872 flat angles P-C4'-P energy: -26.910 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -411.679500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.679500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.679500 (E_RNA) where: Base-Base interactions energy: -206.833 where: short stacking energy: -104.975 Base-Backbone interact. energy: -1.873 local terms energy: -202.972704 where: bonds (distance) C4'-P energy: -48.004 bonds (distance) P-C4' energy: -64.235 flat angles C4'-P-C4' energy: -54.753 flat angles P-C4'-P energy: -36.843 tors. eta vs tors. theta energy: 0.862 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: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1252.014013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.014013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.014013 (E_RNA) where: Base-Base interactions energy: -859.960 where: short stacking energy: -378.338 Base-Backbone interact. energy: -3.961 local terms energy: -388.092320 where: bonds (distance) C4'-P energy: -67.704 bonds (distance) P-C4' energy: -79.904 flat angles C4'-P-C4' energy: -76.693 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -115.422 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: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1202.894076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.894076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.894076 (E_RNA) where: Base-Base interactions energy: -818.533 where: short stacking energy: -337.331 Base-Backbone interact. energy: -1.054 local terms energy: -383.307219 where: bonds (distance) C4'-P energy: -71.265 bonds (distance) P-C4' energy: -79.057 flat angles C4'-P-C4' energy: -79.297 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -103.791 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: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1140.095997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.095997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.095997 (E_RNA) where: Base-Base interactions energy: -783.561 where: short stacking energy: -304.626 Base-Backbone interact. energy: 0.039 local terms energy: -356.573590 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -79.483 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1066.541189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.541189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.541189 (E_RNA) where: Base-Base interactions energy: -734.676 where: short stacking energy: -318.807 Base-Backbone interact. energy: 2.469 local terms energy: -334.334261 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -50.264 flat angles C4'-P-C4' energy: -69.168 flat angles P-C4'-P energy: -60.057 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: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1048.441479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.441479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.441479 (E_RNA) where: Base-Base interactions energy: -703.190 where: short stacking energy: -318.449 Base-Backbone interact. energy: -1.568 local terms energy: -343.683454 where: bonds (distance) C4'-P energy: -63.173 bonds (distance) P-C4' energy: -72.492 flat angles C4'-P-C4' energy: -70.135 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -89.243 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: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -859.536787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.536787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.536787 (E_RNA) where: Base-Base interactions energy: -566.814 where: short stacking energy: -234.152 Base-Backbone interact. energy: 0.022 local terms energy: -292.744243 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -62.825 flat angles C4'-P-C4' energy: -68.845 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -54.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -648.889483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.889483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.889483 (E_RNA) where: Base-Base interactions energy: -377.466 where: short stacking energy: -181.836 Base-Backbone interact. energy: 5.320 local terms energy: -276.743935 where: bonds (distance) C4'-P energy: -55.072 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -74.516 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -38.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -504.898601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.898601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.898601 (E_RNA) where: Base-Base interactions energy: -282.392 where: short stacking energy: -152.767 Base-Backbone interact. energy: -0.392 local terms energy: -222.115325 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -61.648 flat angles P-C4'-P energy: -24.150 tors. eta vs tors. theta energy: -13.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -464.773015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.773015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.773015 (E_RNA) where: Base-Base interactions energy: -253.902 where: short stacking energy: -142.570 Base-Backbone interact. energy: -0.314 local terms energy: -210.556744 where: bonds (distance) C4'-P energy: -43.416 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -57.296 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -431.027693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.027693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.027693 (E_RNA) where: Base-Base interactions energy: -236.372 where: short stacking energy: -128.917 Base-Backbone interact. energy: -1.774 local terms energy: -192.881875 where: bonds (distance) C4'-P energy: -42.326 bonds (distance) P-C4' energy: -58.334 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -24.678 tors. eta vs tors. theta energy: -9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1235.689861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.689861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.689861 (E_RNA) where: Base-Base interactions energy: -847.862 where: short stacking energy: -370.852 Base-Backbone interact. energy: -0.285 local terms energy: -387.542555 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -77.505 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -52.675 tors. eta vs tors. theta energy: -107.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1199.721899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.721899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.721899 (E_RNA) where: Base-Base interactions energy: -809.336 where: short stacking energy: -337.555 Base-Backbone interact. energy: -0.478 local terms energy: -389.907732 where: bonds (distance) C4'-P energy: -68.273 bonds (distance) P-C4' energy: -77.629 flat angles C4'-P-C4' energy: -75.994 flat angles P-C4'-P energy: -56.209 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1138.945096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.945096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.945096 (E_RNA) where: Base-Base interactions energy: -793.618 where: short stacking energy: -318.803 Base-Backbone interact. energy: -1.532 local terms energy: -343.795786 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -68.341 flat angles C4'-P-C4' energy: -61.993 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -93.606 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: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1036.764517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.764517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.764517 (E_RNA) where: Base-Base interactions energy: -679.876 where: short stacking energy: -320.283 Base-Backbone interact. energy: -0.558 local terms energy: -356.330643 where: bonds (distance) C4'-P energy: -70.073 bonds (distance) P-C4' energy: -57.361 flat angles C4'-P-C4' energy: -81.858 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -99.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1039.077659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.077659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.077659 (E_RNA) where: Base-Base interactions energy: -697.056 where: short stacking energy: -300.557 Base-Backbone interact. energy: -1.970 local terms energy: -340.051288 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -71.062 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -89.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -857.991530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.991530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.991530 (E_RNA) where: Base-Base interactions energy: -579.164 where: short stacking energy: -248.699 Base-Backbone interact. energy: 0.053 local terms energy: -278.880584 where: bonds (distance) C4'-P energy: -44.350 bonds (distance) P-C4' energy: -59.185 flat angles C4'-P-C4' energy: -61.429 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -63.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -642.141087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.141087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.141087 (E_RNA) where: Base-Base interactions energy: -369.375 where: short stacking energy: -186.904 Base-Backbone interact. energy: 1.329 local terms energy: -274.094329 where: bonds (distance) C4'-P energy: -61.899 bonds (distance) P-C4' energy: -60.838 flat angles C4'-P-C4' energy: -69.574 flat angles P-C4'-P energy: -38.520 tors. eta vs tors. theta energy: -43.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -505.210122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.210122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.210122 (E_RNA) where: Base-Base interactions energy: -274.329 where: short stacking energy: -134.813 Base-Backbone interact. energy: 0.214 local terms energy: -231.095722 where: bonds (distance) C4'-P energy: -65.263 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -49.257 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -377.066676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.066676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.066676 (E_RNA) where: Base-Base interactions energy: -169.165 where: short stacking energy: -85.310 Base-Backbone interact. energy: -0.381 local terms energy: -207.520756 where: bonds (distance) C4'-P energy: -65.127 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -51.846 flat angles P-C4'-P energy: -29.072 tors. eta vs tors. theta energy: 7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -451.495507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.495507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.495507 (E_RNA) where: Base-Base interactions energy: -235.688 where: short stacking energy: -135.101 Base-Backbone interact. energy: -0.669 local terms energy: -215.138127 where: bonds (distance) C4'-P energy: -48.343 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -28.649 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1249.534917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.534917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.534917 (E_RNA) where: Base-Base interactions energy: -851.699 where: short stacking energy: -366.388 Base-Backbone interact. energy: -1.559 local terms energy: -396.276481 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -71.178 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -114.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1203.588428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.588428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.588428 (E_RNA) where: Base-Base interactions energy: -845.821 where: short stacking energy: -342.988 Base-Backbone interact. energy: -1.882 local terms energy: -355.885181 where: bonds (distance) C4'-P energy: -53.723 bonds (distance) P-C4' energy: -72.511 flat angles C4'-P-C4' energy: -74.580 flat angles P-C4'-P energy: -57.513 tors. eta vs tors. theta energy: -97.559 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: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1082.153529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.153529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.153529 (E_RNA) where: Base-Base interactions energy: -738.270 where: short stacking energy: -313.592 Base-Backbone interact. energy: -0.792 local terms energy: -343.091922 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -72.163 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -93.718 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: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1114.667522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.667522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.667522 (E_RNA) where: Base-Base interactions energy: -787.776 where: short stacking energy: -308.159 Base-Backbone interact. energy: -0.984 local terms energy: -325.907175 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1020.489823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.489823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.489823 (E_RNA) where: Base-Base interactions energy: -671.278 where: short stacking energy: -287.818 Base-Backbone interact. energy: -0.204 local terms energy: -349.008094 where: bonds (distance) C4'-P energy: -65.406 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -81.332 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -85.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -854.870564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.870564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.870564 (E_RNA) where: Base-Base interactions energy: -564.036 where: short stacking energy: -248.204 Base-Backbone interact. energy: -1.310 local terms energy: -289.524805 where: bonds (distance) C4'-P energy: -45.851 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -56.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -662.248437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.248437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.248437 (E_RNA) where: Base-Base interactions energy: -383.887 where: short stacking energy: -205.850 Base-Backbone interact. energy: 0.602 local terms energy: -278.963286 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -57.797 flat angles P-C4'-P energy: -29.355 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: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -464.002076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.002076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.002076 (E_RNA) where: Base-Base interactions energy: -235.532 where: short stacking energy: -136.422 Base-Backbone interact. energy: -2.377 local terms energy: -226.093496 where: bonds (distance) C4'-P energy: -55.462 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -52.967 flat angles P-C4'-P energy: -42.015 tors. eta vs tors. theta energy: -9.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -462.001211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.001211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.001211 (E_RNA) where: Base-Base interactions energy: -253.286 where: short stacking energy: -139.269 Base-Backbone interact. energy: 0.292 local terms energy: -209.007144 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -52.807 flat angles P-C4'-P energy: -32.653 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -367.129790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.129790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.129790 (E_RNA) where: Base-Base interactions energy: -165.972 where: short stacking energy: -105.332 Base-Backbone interact. energy: 0.655 local terms energy: -201.812377 where: bonds (distance) C4'-P energy: -48.911 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -56.093 flat angles P-C4'-P energy: -23.809 tors. eta vs tors. theta energy: 4.413 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: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1243.881396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.881396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.881396 (E_RNA) where: Base-Base interactions energy: -842.836 where: short stacking energy: -367.913 Base-Backbone interact. energy: -0.332 local terms energy: -400.713890 where: bonds (distance) C4'-P energy: -70.480 bonds (distance) P-C4' energy: -73.676 flat angles C4'-P-C4' energy: -83.126 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -112.479 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1203.197671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.197671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.197671 (E_RNA) where: Base-Base interactions energy: -833.896 where: short stacking energy: -345.321 Base-Backbone interact. energy: 1.595 local terms energy: -370.896357 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -72.553 flat angles C4'-P-C4' energy: -83.694 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -102.871 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: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1096.016309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.016309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.016309 (E_RNA) where: Base-Base interactions energy: -755.062 where: short stacking energy: -318.758 Base-Backbone interact. energy: -0.485 local terms energy: -340.469579 where: bonds (distance) C4'-P energy: -64.602 bonds (distance) P-C4' energy: -55.403 flat angles C4'-P-C4' energy: -66.762 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -97.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1086.367236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.367236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.367236 (E_RNA) where: Base-Base interactions energy: -771.992 where: short stacking energy: -298.585 Base-Backbone interact. energy: 1.132 local terms energy: -315.507109 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -73.837 flat angles P-C4'-P energy: -35.164 tors. eta vs tors. theta energy: -75.417 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: 289 Temperature: 1.100000 Total energy: -1056.538361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.538361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.538361 (E_RNA) where: Base-Base interactions energy: -708.319 where: short stacking energy: -303.047 Base-Backbone interact. energy: -2.052 local terms energy: -346.167472 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -56.889 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -54.365 tors. eta vs tors. theta energy: -94.564 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: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -900.551815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.551815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.551815 (E_RNA) where: Base-Base interactions energy: -586.804 where: short stacking energy: -265.573 Base-Backbone interact. energy: -1.482 local terms energy: -312.265481 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -68.904 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: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -574.182282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.182282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.182282 (E_RNA) where: Base-Base interactions energy: -311.562 where: short stacking energy: -142.790 Base-Backbone interact. energy: -0.123 local terms energy: -262.498022 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -64.769 flat angles C4'-P-C4' energy: -69.101 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -22.774 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: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -502.531000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.531000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.531000 (E_RNA) where: Base-Base interactions energy: -269.802 where: short stacking energy: -148.515 Base-Backbone interact. energy: 0.421 local terms energy: -233.149880 where: bonds (distance) C4'-P energy: -62.197 bonds (distance) P-C4' energy: -74.929 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -23.996 tors. eta vs tors. theta energy: -14.360 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: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -483.614186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.614186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.614186 (E_RNA) where: Base-Base interactions energy: -261.289 where: short stacking energy: -157.362 Base-Backbone interact. energy: -0.657 local terms energy: -221.668350 where: bonds (distance) C4'-P energy: -48.858 bonds (distance) P-C4' energy: -70.861 flat angles C4'-P-C4' energy: -38.788 flat angles P-C4'-P energy: -33.154 tors. eta vs tors. theta energy: -30.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -352.413580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.413580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.413580 (E_RNA) where: Base-Base interactions energy: -150.248 where: short stacking energy: -98.124 Base-Backbone interact. energy: -1.596 local terms energy: -200.569466 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -67.049 flat angles C4'-P-C4' energy: -55.386 flat angles P-C4'-P energy: -29.720 tors. eta vs tors. theta energy: 3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1251.421221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.421221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.421221 (E_RNA) where: Base-Base interactions energy: -871.186 where: short stacking energy: -377.696 Base-Backbone interact. energy: -3.717 local terms energy: -376.518268 where: bonds (distance) C4'-P energy: -66.519 bonds (distance) P-C4' energy: -68.589 flat angles C4'-P-C4' energy: -79.349 flat angles P-C4'-P energy: -50.929 tors. eta vs tors. theta energy: -111.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1188.259680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.259680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.259680 (E_RNA) where: Base-Base interactions energy: -827.152 where: short stacking energy: -363.287 Base-Backbone interact. energy: 5.810 local terms energy: -366.917046 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -67.026 flat angles C4'-P-C4' energy: -82.553 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: -104.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1100.007457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.007457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.007457 (E_RNA) where: Base-Base interactions energy: -730.497 where: short stacking energy: -306.377 Base-Backbone interact. energy: -2.984 local terms energy: -366.526695 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -84.274 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -95.056 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: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1041.920344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.920344 (E_RNA) where: Base-Base interactions energy: -743.803 where: short stacking energy: -267.590 Base-Backbone interact. energy: 0.459 local terms energy: -298.576746 where: bonds (distance) C4'-P energy: -47.624 bonds (distance) P-C4' energy: -61.067 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -70.873 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: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1053.741037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.741037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.741037 (E_RNA) where: Base-Base interactions energy: -695.081 where: short stacking energy: -312.148 Base-Backbone interact. energy: -0.393 local terms energy: -358.266871 where: bonds (distance) C4'-P energy: -75.591 bonds (distance) P-C4' energy: -66.173 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -49.439 tors. eta vs tors. theta energy: -93.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -885.775176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.775176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.775176 (E_RNA) where: Base-Base interactions energy: -571.391 where: short stacking energy: -254.478 Base-Backbone interact. energy: -0.732 local terms energy: -313.651932 where: bonds (distance) C4'-P energy: -58.572 bonds (distance) P-C4' energy: -69.343 flat angles C4'-P-C4' energy: -74.201 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: -70.767 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: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -501.498845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.498845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.498845 (E_RNA) where: Base-Base interactions energy: -248.950 where: short stacking energy: -130.850 Base-Backbone interact. energy: 3.008 local terms energy: -255.557047 where: bonds (distance) C4'-P energy: -74.065 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -59.812 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -8.459 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: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -543.296767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.296767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.296767 (E_RNA) where: Base-Base interactions energy: -288.118 where: short stacking energy: -142.052 Base-Backbone interact. energy: 3.709 local terms energy: -258.887750 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -77.143 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -41.780 tors. eta vs tors. theta energy: -29.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -404.654427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.654427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.654427 (E_RNA) where: Base-Base interactions energy: -190.615 where: short stacking energy: -113.015 Base-Backbone interact. energy: -1.072 local terms energy: -212.966501 where: bonds (distance) C4'-P energy: -45.750 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -52.604 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -11.381 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: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -455.149174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.149174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.149174 (E_RNA) where: Base-Base interactions energy: -230.633 where: short stacking energy: -129.009 Base-Backbone interact. energy: -1.196 local terms energy: -223.320002 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -53.494 flat angles C4'-P-C4' energy: -60.042 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -13.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1250.724948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.724948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.724948 (E_RNA) where: Base-Base interactions energy: -846.619 where: short stacking energy: -369.084 Base-Backbone interact. energy: 0.380 local terms energy: -404.485875 where: bonds (distance) C4'-P energy: -76.500 bonds (distance) P-C4' energy: -79.213 flat angles C4'-P-C4' energy: -84.291 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -113.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1180.647237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.647237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.647237 (E_RNA) where: Base-Base interactions energy: -799.526 where: short stacking energy: -338.879 Base-Backbone interact. energy: -0.627 local terms energy: -380.494146 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -55.787 tors. eta vs tors. theta energy: -102.891 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: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1067.014521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.014521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.014521 (E_RNA) where: Base-Base interactions energy: -717.868 where: short stacking energy: -288.953 Base-Backbone interact. energy: -1.624 local terms energy: -347.522088 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -75.945 flat angles P-C4'-P energy: -35.548 tors. eta vs tors. theta energy: -85.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1054.172302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.172302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.172302 (E_RNA) where: Base-Base interactions energy: -687.524 where: short stacking energy: -316.560 Base-Backbone interact. energy: -0.305 local terms energy: -366.343930 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -71.288 flat angles C4'-P-C4' energy: -78.286 flat angles P-C4'-P energy: -57.897 tors. eta vs tors. theta energy: -104.197 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: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1026.384978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.384978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.384978 (E_RNA) where: Base-Base interactions energy: -717.674 where: short stacking energy: -286.386 Base-Backbone interact. energy: 2.019 local terms energy: -310.730021 where: bonds (distance) C4'-P energy: -57.561 bonds (distance) P-C4' energy: -65.502 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -65.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -855.416129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.416129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.416129 (E_RNA) where: Base-Base interactions energy: -567.252 where: short stacking energy: -264.483 Base-Backbone interact. energy: -1.823 local terms energy: -286.341273 where: bonds (distance) C4'-P energy: -57.834 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -29.559 tors. eta vs tors. theta energy: -67.126 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -537.141445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.141445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.141445 (E_RNA) where: Base-Base interactions energy: -299.580 where: short stacking energy: -143.372 Base-Backbone interact. energy: -0.583 local terms energy: -236.978096 where: bonds (distance) C4'-P energy: -55.544 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -62.484 flat angles P-C4'-P energy: -30.419 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -520.586410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.586410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.586410 (E_RNA) where: Base-Base interactions energy: -287.385 where: short stacking energy: -142.909 Base-Backbone interact. energy: -2.295 local terms energy: -230.906088 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -58.890 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -13.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -391.520482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.520482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.520482 (E_RNA) where: Base-Base interactions energy: -190.098 where: short stacking energy: -120.529 Base-Backbone interact. energy: -0.247 local terms energy: -201.175601 where: bonds (distance) C4'-P energy: -55.255 bonds (distance) P-C4' energy: -51.578 flat angles C4'-P-C4' energy: -54.540 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -459.752891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.752891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.752891 (E_RNA) where: Base-Base interactions energy: -253.532 where: short stacking energy: -135.679 Base-Backbone interact. energy: -0.036 local terms energy: -206.185409 where: bonds (distance) C4'-P energy: -55.816 bonds (distance) P-C4' energy: -49.764 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -24.559 tors. eta vs tors. theta energy: -18.526 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: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1224.766787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.766787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.766787 (E_RNA) where: Base-Base interactions energy: -846.546 where: short stacking energy: -350.977 Base-Backbone interact. energy: 5.967 local terms energy: -384.187489 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -85.858 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -104.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1209.469320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.469320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.469320 (E_RNA) where: Base-Base interactions energy: -827.880 where: short stacking energy: -342.793 Base-Backbone interact. energy: -0.415 local terms energy: -381.173755 where: bonds (distance) C4'-P energy: -74.949 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -39.878 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: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1082.645284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.645284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.645284 (E_RNA) where: Base-Base interactions energy: -701.942 where: short stacking energy: -302.798 Base-Backbone interact. energy: -2.247 local terms energy: -378.456300 where: bonds (distance) C4'-P energy: -79.599 bonds (distance) P-C4' energy: -80.885 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -94.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1054.460030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.460030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.460030 (E_RNA) where: Base-Base interactions energy: -719.627 where: short stacking energy: -322.017 Base-Backbone interact. energy: 0.604 local terms energy: -335.436766 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -65.606 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -92.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1022.823611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.823611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.823611 (E_RNA) where: Base-Base interactions energy: -708.801 where: short stacking energy: -270.425 Base-Backbone interact. energy: -0.381 local terms energy: -313.642172 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -52.840 flat angles C4'-P-C4' energy: -74.344 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: -67.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -885.465844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.465844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.465844 (E_RNA) where: Base-Base interactions energy: -596.935 where: short stacking energy: -259.993 Base-Backbone interact. energy: -0.342 local terms energy: -288.188753 where: bonds (distance) C4'-P energy: -66.817 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -62.453 flat angles P-C4'-P energy: -27.369 tors. eta vs tors. theta energy: -72.571 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: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -590.780316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.780316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.780316 (E_RNA) where: Base-Base interactions energy: -333.198 where: short stacking energy: -171.642 Base-Backbone interact. energy: 0.620 local terms energy: -258.202547 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -77.051 flat angles C4'-P-C4' energy: -52.555 flat angles P-C4'-P energy: -38.439 tors. eta vs tors. theta energy: -25.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -554.892600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.892600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.892600 (E_RNA) where: Base-Base interactions energy: -316.823 where: short stacking energy: -158.414 Base-Backbone interact. energy: 4.582 local terms energy: -242.651450 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -58.580 flat angles P-C4'-P energy: -28.782 tors. eta vs tors. theta energy: -33.418 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -458.370810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.370810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.370810 (E_RNA) where: Base-Base interactions energy: -240.928 where: short stacking energy: -140.930 Base-Backbone interact. energy: 0.285 local terms energy: -217.727241 where: bonds (distance) C4'-P energy: -55.060 bonds (distance) P-C4' energy: -60.494 flat angles C4'-P-C4' energy: -59.483 flat angles P-C4'-P energy: -35.413 tors. eta vs tors. theta energy: -7.277 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: 292 Temperature: 1.350000 Total energy: -381.088779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.088779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.088779 (E_RNA) where: Base-Base interactions energy: -190.251 where: short stacking energy: -124.012 Base-Backbone interact. energy: -1.829 local terms energy: -189.009232 where: bonds (distance) C4'-P energy: -54.936 bonds (distance) P-C4' energy: -58.218 flat angles C4'-P-C4' energy: -60.704 flat angles P-C4'-P energy: -15.290 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1197.712171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.712171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.712171 (E_RNA) where: Base-Base interactions energy: -822.663 where: short stacking energy: -343.674 Base-Backbone interact. energy: -0.708 local terms energy: -374.341501 where: bonds (distance) C4'-P energy: -73.737 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -76.176 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -103.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1186.547431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.547431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.547431 (E_RNA) where: Base-Base interactions energy: -807.122 where: short stacking energy: -328.895 Base-Backbone interact. energy: 1.846 local terms energy: -381.271313 where: bonds (distance) C4'-P energy: -71.123 bonds (distance) P-C4' energy: -73.494 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -103.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1065.743487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.743487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.743487 (E_RNA) where: Base-Base interactions energy: -729.797 where: short stacking energy: -324.610 Base-Backbone interact. energy: -2.427 local terms energy: -333.519960 where: bonds (distance) C4'-P energy: -59.622 bonds (distance) P-C4' energy: -73.565 flat angles C4'-P-C4' energy: -63.133 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -85.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1051.144510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.144510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.144510 (E_RNA) where: Base-Base interactions energy: -691.736 where: short stacking energy: -300.853 Base-Backbone interact. energy: -0.862 local terms energy: -358.546535 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -60.798 flat angles C4'-P-C4' energy: -77.655 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -94.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -983.674621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.674621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.674621 (E_RNA) where: Base-Base interactions energy: -666.286 where: short stacking energy: -261.855 Base-Backbone interact. energy: -2.325 local terms energy: -315.063477 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -69.517 flat angles C4'-P-C4' energy: -71.479 flat angles P-C4'-P energy: -37.992 tors. eta vs tors. theta energy: -69.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -896.549934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.549934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.549934 (E_RNA) where: Base-Base interactions energy: -595.328 where: short stacking energy: -260.134 Base-Backbone interact. energy: 0.598 local terms energy: -301.820607 where: bonds (distance) C4'-P energy: -54.121 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -64.096 flat angles P-C4'-P energy: -49.916 tors. eta vs tors. theta energy: -68.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -590.660131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.660131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.660131 (E_RNA) where: Base-Base interactions energy: -305.391 where: short stacking energy: -171.671 Base-Backbone interact. energy: 0.603 local terms energy: -285.872218 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -73.634 flat angles C4'-P-C4' energy: -63.631 flat angles P-C4'-P energy: -50.641 tors. eta vs tors. theta energy: -39.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -511.356669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.356669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.356669 (E_RNA) where: Base-Base interactions energy: -278.041 where: short stacking energy: -132.331 Base-Backbone interact. energy: -1.281 local terms energy: -232.034299 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -49.692 flat angles C4'-P-C4' energy: -69.150 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: -7.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -486.809211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.809211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.809211 (E_RNA) where: Base-Base interactions energy: -286.170 where: short stacking energy: -127.912 Base-Backbone interact. energy: 0.620 local terms energy: -201.259269 where: bonds (distance) C4'-P energy: -58.998 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -29.152 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -344.358608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.358608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.358608 (E_RNA) where: Base-Base interactions energy: -149.986 where: short stacking energy: -92.018 Base-Backbone interact. energy: 2.703 local terms energy: -197.075349 where: bonds (distance) C4'-P energy: -69.564 bonds (distance) P-C4' energy: -61.387 flat angles C4'-P-C4' energy: -47.755 flat angles P-C4'-P energy: -27.755 tors. eta vs tors. theta energy: 9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1226.941354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.941354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.941354 (E_RNA) where: Base-Base interactions energy: -838.878 where: short stacking energy: -373.976 Base-Backbone interact. energy: -1.531 local terms energy: -386.533131 where: bonds (distance) C4'-P energy: -59.001 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -82.029 flat angles P-C4'-P energy: -59.536 tors. eta vs tors. theta energy: -113.051 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: 294 Temperature: 0.950000 Total energy: -1197.793092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.793092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.793092 (E_RNA) where: Base-Base interactions energy: -823.378 where: short stacking energy: -329.471 Base-Backbone interact. energy: -0.746 local terms energy: -373.668573 where: bonds (distance) C4'-P energy: -78.361 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -77.651 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -104.641 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: 9 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1104.491926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.491926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.491926 (E_RNA) where: Base-Base interactions energy: -737.633 where: short stacking energy: -333.713 Base-Backbone interact. energy: -0.443 local terms energy: -366.415784 where: bonds (distance) C4'-P energy: -69.932 bonds (distance) P-C4' energy: -73.933 flat angles C4'-P-C4' energy: -72.622 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: -101.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1039.756246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.756246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.756246 (E_RNA) where: Base-Base interactions energy: -704.818 where: short stacking energy: -291.708 Base-Backbone interact. energy: -1.735 local terms energy: -333.202662 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -46.641 tors. eta vs tors. theta energy: -89.369 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: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1001.549712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.549712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.549712 (E_RNA) where: Base-Base interactions energy: -688.376 where: short stacking energy: -257.833 Base-Backbone interact. energy: -0.730 local terms energy: -312.442854 where: bonds (distance) C4'-P energy: -60.950 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -74.499 flat angles P-C4'-P energy: -45.303 tors. eta vs tors. theta energy: -63.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -901.837000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.837000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.837000 (E_RNA) where: Base-Base interactions energy: -601.808 where: short stacking energy: -254.694 Base-Backbone interact. energy: -0.829 local terms energy: -299.199599 where: bonds (distance) C4'-P energy: -50.522 bonds (distance) P-C4' energy: -63.031 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: -71.513 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: 294 Temperature: 1.200000 Total energy: -537.677273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.677273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.677273 (E_RNA) where: Base-Base interactions energy: -320.443 where: short stacking energy: -158.054 Base-Backbone interact. energy: 0.930 local terms energy: -218.163790 where: bonds (distance) C4'-P energy: -60.666 bonds (distance) P-C4' energy: -67.686 flat angles C4'-P-C4' energy: -56.117 flat angles P-C4'-P energy: -17.905 tors. eta vs tors. theta energy: -15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -584.723006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.723006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.723006 (E_RNA) where: Base-Base interactions energy: -333.556 where: short stacking energy: -165.467 Base-Backbone interact. energy: 1.558 local terms energy: -252.724885 where: bonds (distance) C4'-P energy: -49.098 bonds (distance) P-C4' energy: -64.863 flat angles C4'-P-C4' energy: -66.736 flat angles P-C4'-P energy: -35.514 tors. eta vs tors. theta energy: -36.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -548.139541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.139541 (E_RNA) where: Base-Base interactions energy: -298.401 where: short stacking energy: -144.232 Base-Backbone interact. energy: -1.408 local terms energy: -248.330398 where: bonds (distance) C4'-P energy: -56.690 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -61.359 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: -28.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -342.910287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.910287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.910287 (E_RNA) where: Base-Base interactions energy: -139.061 where: short stacking energy: -71.742 Base-Backbone interact. energy: -1.378 local terms energy: -202.471930 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -43.542 flat angles P-C4'-P energy: -36.089 tors. eta vs tors. theta energy: 9.641 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: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1230.275473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.275473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.275473 (E_RNA) where: Base-Base interactions energy: -845.537 where: short stacking energy: -365.795 Base-Backbone interact. energy: -2.325 local terms energy: -382.413671 where: bonds (distance) C4'-P energy: -63.816 bonds (distance) P-C4' energy: -81.440 flat angles C4'-P-C4' energy: -78.971 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -111.773 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: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1173.030866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.030866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.030866 (E_RNA) where: Base-Base interactions energy: -793.673 where: short stacking energy: -319.916 Base-Backbone interact. energy: -2.603 local terms energy: -376.755028 where: bonds (distance) C4'-P energy: -72.499 bonds (distance) P-C4' energy: -74.660 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -58.135 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: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1161.848283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.848283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.848283 (E_RNA) where: Base-Base interactions energy: -792.691 where: short stacking energy: -336.686 Base-Backbone interact. energy: -0.600 local terms energy: -368.556752 where: bonds (distance) C4'-P energy: -72.505 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -77.549 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -105.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1042.673622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.673622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.673622 (E_RNA) where: Base-Base interactions energy: -708.358 where: short stacking energy: -280.022 Base-Backbone interact. energy: 0.450 local terms energy: -334.765950 where: bonds (distance) C4'-P energy: -68.933 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -57.792 tors. eta vs tors. theta energy: -70.970 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: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -963.191936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.191936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.191936 (E_RNA) where: Base-Base interactions energy: -636.667 where: short stacking energy: -276.894 Base-Backbone interact. energy: -1.072 local terms energy: -325.452592 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -76.921 flat angles P-C4'-P energy: -41.181 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: 6, replica: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -876.740826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.740826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.740826 (E_RNA) where: Base-Base interactions energy: -578.502 where: short stacking energy: -250.897 Base-Backbone interact. energy: 2.549 local terms energy: -300.788035 where: bonds (distance) C4'-P energy: -51.740 bonds (distance) P-C4' energy: -74.958 flat angles C4'-P-C4' energy: -69.334 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -53.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -576.788447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.788447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.788447 (E_RNA) where: Base-Base interactions energy: -300.834 where: short stacking energy: -155.900 Base-Backbone interact. energy: -0.742 local terms energy: -275.212334 where: bonds (distance) C4'-P energy: -76.700 bonds (distance) P-C4' energy: -73.941 flat angles C4'-P-C4' energy: -59.594 flat angles P-C4'-P energy: -51.744 tors. eta vs tors. theta energy: -13.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -621.228490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.228490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.228490 (E_RNA) where: Base-Base interactions energy: -350.350 where: short stacking energy: -170.544 Base-Backbone interact. energy: 4.624 local terms energy: -275.501718 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -73.683 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -35.688 tors. eta vs tors. theta energy: -38.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -516.053119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.053119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.053119 (E_RNA) where: Base-Base interactions energy: -281.771 where: short stacking energy: -132.423 Base-Backbone interact. energy: -2.544 local terms energy: -231.737872 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -29.755 tors. eta vs tors. theta energy: -10.111 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: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -354.085109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.085109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.085109 (E_RNA) where: Base-Base interactions energy: -148.299 where: short stacking energy: -81.236 Base-Backbone interact. energy: -2.511 local terms energy: -203.274743 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -72.254 flat angles C4'-P-C4' energy: -45.179 flat angles P-C4'-P energy: -29.300 tors. eta vs tors. theta energy: 11.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1212.427544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.427544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.427544 (E_RNA) where: Base-Base interactions energy: -835.694 where: short stacking energy: -363.379 Base-Backbone interact. energy: 0.306 local terms energy: -377.039892 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -74.953 flat angles C4'-P-C4' energy: -81.039 flat angles P-C4'-P energy: -46.462 tors. eta vs tors. theta energy: -105.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1223.344127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.344127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.344127 (E_RNA) where: Base-Base interactions energy: -827.390 where: short stacking energy: -363.203 Base-Backbone interact. energy: -0.774 local terms energy: -395.180426 where: bonds (distance) C4'-P energy: -71.615 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -92.893 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: -106.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1151.869578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.869578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.869578 (E_RNA) where: Base-Base interactions energy: -777.732 where: short stacking energy: -329.319 Base-Backbone interact. energy: -2.130 local terms energy: -372.007128 where: bonds (distance) C4'-P energy: -72.243 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -84.897 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: -92.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1052.926185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.926185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.926185 (E_RNA) where: Base-Base interactions energy: -709.015 where: short stacking energy: -286.349 Base-Backbone interact. energy: -0.057 local terms energy: -343.853946 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -80.225 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -50.695 tors. eta vs tors. theta energy: -77.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -997.012597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.012597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.012597 (E_RNA) where: Base-Base interactions energy: -653.782 where: short stacking energy: -280.545 Base-Backbone interact. energy: -0.148 local terms energy: -343.082538 where: bonds (distance) C4'-P energy: -61.797 bonds (distance) P-C4' energy: -71.711 flat angles C4'-P-C4' energy: -78.328 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: -81.434 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: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -925.410187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.410187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.410187 (E_RNA) where: Base-Base interactions energy: -617.470 where: short stacking energy: -264.791 Base-Backbone interact. energy: 3.212 local terms energy: -311.151441 where: bonds (distance) C4'-P energy: -69.616 bonds (distance) P-C4' energy: -51.767 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -52.199 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -675.683526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.683526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.683526 (E_RNA) where: Base-Base interactions energy: -378.586 where: short stacking energy: -190.542 Base-Backbone interact. energy: -0.691 local terms energy: -296.406141 where: bonds (distance) C4'-P energy: -63.001 bonds (distance) P-C4' energy: -77.583 flat angles C4'-P-C4' energy: -68.726 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -46.697 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: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -526.314276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.314276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.314276 (E_RNA) where: Base-Base interactions energy: -276.964 where: short stacking energy: -146.248 Base-Backbone interact. energy: -0.209 local terms energy: -249.141269 where: bonds (distance) C4'-P energy: -64.992 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -54.492 flat angles P-C4'-P energy: -30.667 tors. eta vs tors. theta energy: -30.619 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: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -476.709027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.709027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.709027 (E_RNA) where: Base-Base interactions energy: -252.908 where: short stacking energy: -116.808 Base-Backbone interact. energy: 2.540 local terms energy: -226.340996 where: bonds (distance) C4'-P energy: -72.157 bonds (distance) P-C4' energy: -69.835 flat angles C4'-P-C4' energy: -59.194 flat angles P-C4'-P energy: -21.216 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -298.458551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.458551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.458551 (E_RNA) where: Base-Base interactions energy: -104.342 where: short stacking energy: -91.129 Base-Backbone interact. energy: 1.180 local terms energy: -195.296189 where: bonds (distance) C4'-P energy: -65.971 bonds (distance) P-C4' energy: -68.883 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -28.140 tors. eta vs tors. theta energy: 11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1207.698076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.698076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.698076 (E_RNA) where: Base-Base interactions energy: -806.960 where: short stacking energy: -347.002 Base-Backbone interact. energy: 0.515 local terms energy: -401.253542 where: bonds (distance) C4'-P energy: -81.263 bonds (distance) P-C4' energy: -78.555 flat angles C4'-P-C4' energy: -86.324 flat angles P-C4'-P energy: -46.719 tors. eta vs tors. theta energy: -108.393 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: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1219.258823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.258823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.258823 (E_RNA) where: Base-Base interactions energy: -837.240 where: short stacking energy: -354.414 Base-Backbone interact. energy: -0.278 local terms energy: -381.740923 where: bonds (distance) C4'-P energy: -67.367 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -48.669 tors. eta vs tors. theta energy: -111.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1155.130444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.130444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.130444 (E_RNA) where: Base-Base interactions energy: -761.897 where: short stacking energy: -324.353 Base-Backbone interact. energy: -1.512 local terms energy: -391.721321 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -73.337 flat angles C4'-P-C4' energy: -81.987 flat angles P-C4'-P energy: -52.156 tors. eta vs tors. theta energy: -100.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1033.830204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.830204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.830204 (E_RNA) where: Base-Base interactions energy: -717.147 where: short stacking energy: -305.271 Base-Backbone interact. energy: 1.828 local terms energy: -318.510920 where: bonds (distance) C4'-P energy: -55.932 bonds (distance) P-C4' energy: -62.553 flat angles C4'-P-C4' energy: -71.164 flat angles P-C4'-P energy: -52.133 tors. eta vs tors. theta energy: -76.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1022.840327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.840327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.840327 (E_RNA) where: Base-Base interactions energy: -674.251 where: short stacking energy: -287.984 Base-Backbone interact. energy: -0.624 local terms energy: -347.965746 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -69.865 flat angles C4'-P-C4' energy: -78.340 flat angles P-C4'-P energy: -48.753 tors. eta vs tors. theta energy: -85.142 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: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -867.077762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.077762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.077762 (E_RNA) where: Base-Base interactions energy: -588.932 where: short stacking energy: -253.357 Base-Backbone interact. energy: -1.335 local terms energy: -276.811303 where: bonds (distance) C4'-P energy: -52.789 bonds (distance) P-C4' energy: -62.896 flat angles C4'-P-C4' energy: -61.913 flat angles P-C4'-P energy: -33.334 tors. eta vs tors. theta energy: -65.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -650.325344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.325344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.325344 (E_RNA) where: Base-Base interactions energy: -372.565 where: short stacking energy: -191.223 Base-Backbone interact. energy: 1.124 local terms energy: -278.884114 where: bonds (distance) C4'-P energy: -59.045 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -72.524 flat angles P-C4'-P energy: -36.641 tors. eta vs tors. theta energy: -42.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -492.526317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.526317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.526317 (E_RNA) where: Base-Base interactions energy: -254.885 where: short stacking energy: -119.228 Base-Backbone interact. energy: 0.247 local terms energy: -237.887944 where: bonds (distance) C4'-P energy: -60.834 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -67.960 flat angles P-C4'-P energy: -34.853 tors. eta vs tors. theta energy: -18.023 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: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -501.833987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.833987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.833987 (E_RNA) where: Base-Base interactions energy: -264.714 where: short stacking energy: -133.401 Base-Backbone interact. energy: -0.133 local terms energy: -236.987126 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -63.860 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -5.532 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: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -306.316827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.316827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.316827 (E_RNA) where: Base-Base interactions energy: -115.821 where: short stacking energy: -85.643 Base-Backbone interact. energy: -1.446 local terms energy: -189.050071 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -50.817 flat angles C4'-P-C4' energy: -47.291 flat angles P-C4'-P energy: -29.673 tors. eta vs tors. theta energy: 8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1198.062254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.062254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.062254 (E_RNA) where: Base-Base interactions energy: -821.427 where: short stacking energy: -335.505 Base-Backbone interact. energy: -0.896 local terms energy: -375.739698 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -77.315 flat angles C4'-P-C4' energy: -79.542 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -101.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1200.657530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.657530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.657530 (E_RNA) where: Base-Base interactions energy: -834.010 where: short stacking energy: -345.786 Base-Backbone interact. energy: 0.320 local terms energy: -366.967954 where: bonds (distance) C4'-P energy: -57.250 bonds (distance) P-C4' energy: -73.436 flat angles C4'-P-C4' energy: -79.293 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -103.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1146.333294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.333294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.333294 (E_RNA) where: Base-Base interactions energy: -775.610 where: short stacking energy: -333.741 Base-Backbone interact. energy: 0.673 local terms energy: -371.396397 where: bonds (distance) C4'-P energy: -65.574 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -52.872 tors. eta vs tors. theta energy: -99.594 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: 4, replica: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1029.374294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.374294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.374294 (E_RNA) where: Base-Base interactions energy: -681.712 where: short stacking energy: -294.618 Base-Backbone interact. energy: -0.262 local terms energy: -347.400501 where: bonds (distance) C4'-P energy: -67.861 bonds (distance) P-C4' energy: -69.185 flat angles C4'-P-C4' energy: -61.840 flat angles P-C4'-P energy: -59.957 tors. eta vs tors. theta energy: -88.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -984.217043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.217043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.217043 (E_RNA) where: Base-Base interactions energy: -675.405 where: short stacking energy: -272.915 Base-Backbone interact. energy: -1.672 local terms energy: -307.140462 where: bonds (distance) C4'-P energy: -62.737 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -57.350 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -77.414 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: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -884.198955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.198955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.198955 (E_RNA) where: Base-Base interactions energy: -589.748 where: short stacking energy: -238.068 Base-Backbone interact. energy: -0.114 local terms energy: -294.337715 where: bonds (distance) C4'-P energy: -68.864 bonds (distance) P-C4' energy: -71.462 flat angles C4'-P-C4' energy: -57.027 flat angles P-C4'-P energy: -42.542 tors. eta vs tors. theta energy: -54.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -628.490004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.490004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.490004 (E_RNA) where: Base-Base interactions energy: -364.335 where: short stacking energy: -181.046 Base-Backbone interact. energy: -1.706 local terms energy: -262.449254 where: bonds (distance) C4'-P energy: -66.514 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -52.808 flat angles P-C4'-P energy: -32.175 tors. eta vs tors. theta energy: -41.049 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: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -505.026032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.026032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.026032 (E_RNA) where: Base-Base interactions energy: -250.713 where: short stacking energy: -133.288 Base-Backbone interact. energy: 0.929 local terms energy: -255.242351 where: bonds (distance) C4'-P energy: -64.407 bonds (distance) P-C4' energy: -67.840 flat angles C4'-P-C4' energy: -69.737 flat angles P-C4'-P energy: -36.475 tors. eta vs tors. theta energy: -16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -486.114542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.114542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.114542 (E_RNA) where: Base-Base interactions energy: -240.367 where: short stacking energy: -132.573 Base-Backbone interact. energy: 3.350 local terms energy: -249.097922 where: bonds (distance) C4'-P energy: -59.632 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -53.783 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -25.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -340.524698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.524698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.524698 (E_RNA) where: Base-Base interactions energy: -166.805 where: short stacking energy: -90.836 Base-Backbone interact. energy: 0.052 local terms energy: -173.771888 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -55.165 flat angles C4'-P-C4' energy: -43.278 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: 17.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1220.020794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.020794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.020794 (E_RNA) where: Base-Base interactions energy: -839.269 where: short stacking energy: -355.467 Base-Backbone interact. energy: -1.975 local terms energy: -378.777622 where: bonds (distance) C4'-P energy: -72.959 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -107.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1205.724512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.724512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.724512 (E_RNA) where: Base-Base interactions energy: -821.804 where: short stacking energy: -359.542 Base-Backbone interact. energy: 2.196 local terms energy: -386.117164 where: bonds (distance) C4'-P energy: -69.246 bonds (distance) P-C4' energy: -72.794 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -54.095 tors. eta vs tors. theta energy: -109.379 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: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1201.761087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.761087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.761087 (E_RNA) where: Base-Base interactions energy: -831.166 where: short stacking energy: -353.335 Base-Backbone interact. energy: 3.102 local terms energy: -373.697291 where: bonds (distance) C4'-P energy: -67.340 bonds (distance) P-C4' energy: -71.178 flat angles C4'-P-C4' energy: -78.986 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -107.536 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: 299 Temperature: 1.050000 Total energy: -1059.588116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.588116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.588116 (E_RNA) where: Base-Base interactions energy: -712.887 where: short stacking energy: -303.607 Base-Backbone interact. energy: -1.466 local terms energy: -345.235554 where: bonds (distance) C4'-P energy: -67.068 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -90.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1005.333141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.333141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.333141 (E_RNA) where: Base-Base interactions energy: -686.243 where: short stacking energy: -258.284 Base-Backbone interact. energy: 2.799 local terms energy: -321.888641 where: bonds (distance) C4'-P energy: -69.262 bonds (distance) P-C4' energy: -64.712 flat angles C4'-P-C4' energy: -69.630 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: -70.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -889.738901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.738901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.738901 (E_RNA) where: Base-Base interactions energy: -596.294 where: short stacking energy: -257.804 Base-Backbone interact. energy: -1.290 local terms energy: -292.154974 where: bonds (distance) C4'-P energy: -59.304 bonds (distance) P-C4' energy: -60.483 flat angles C4'-P-C4' energy: -64.661 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: -67.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -647.591531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.591531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.591531 (E_RNA) where: Base-Base interactions energy: -386.218 where: short stacking energy: -174.866 Base-Backbone interact. energy: 1.312 local terms energy: -262.684856 where: bonds (distance) C4'-P energy: -56.063 bonds (distance) P-C4' energy: -48.907 flat angles C4'-P-C4' energy: -68.539 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -37.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -494.082278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.082278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.082278 (E_RNA) where: Base-Base interactions energy: -271.564 where: short stacking energy: -116.409 Base-Backbone interact. energy: 0.191 local terms energy: -222.708961 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -69.708 flat angles C4'-P-C4' energy: -53.436 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: 0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -559.412898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.412898 (E_RNA) where: Base-Base interactions energy: -311.473 where: short stacking energy: -158.429 Base-Backbone interact. energy: 4.256 local terms energy: -252.195956 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -32.543 tors. eta vs tors. theta energy: -14.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -344.686003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.686003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.686003 (E_RNA) where: Base-Base interactions energy: -132.673 where: short stacking energy: -84.450 Base-Backbone interact. energy: -0.191 local terms energy: -211.822112 where: bonds (distance) C4'-P energy: -54.530 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -53.091 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: -7.120 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: 300 Temperature: 0.900000 Total energy: -1233.153264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.153264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.153264 (E_RNA) where: Base-Base interactions energy: -834.248 where: short stacking energy: -359.571 Base-Backbone interact. energy: -3.531 local terms energy: -395.373973 where: bonds (distance) C4'-P energy: -78.097 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -77.905 flat angles P-C4'-P energy: -53.304 tors. eta vs tors. theta energy: -112.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1196.713342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.713342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.713342 (E_RNA) where: Base-Base interactions energy: -806.189 where: short stacking energy: -346.411 Base-Backbone interact. energy: 4.007 local terms energy: -394.532133 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -78.570 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -99.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1149.620607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.620607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.620607 (E_RNA) where: Base-Base interactions energy: -778.440 where: short stacking energy: -323.712 Base-Backbone interact. energy: -1.273 local terms energy: -369.907773 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -61.955 flat angles C4'-P-C4' energy: -84.118 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -102.849 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: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1071.338245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.338245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.338245 (E_RNA) where: Base-Base interactions energy: -715.313 where: short stacking energy: -294.104 Base-Backbone interact. energy: -2.265 local terms energy: -353.760422 where: bonds (distance) C4'-P energy: -73.988 bonds (distance) P-C4' energy: -69.182 flat angles C4'-P-C4' energy: -70.490 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -89.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1007.133422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.133422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.133422 (E_RNA) where: Base-Base interactions energy: -676.963 where: short stacking energy: -279.930 Base-Backbone interact. energy: -2.673 local terms energy: -327.497185 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -47.439 tors. eta vs tors. theta energy: -69.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -919.566513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.566513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.566513 (E_RNA) where: Base-Base interactions energy: -619.412 where: short stacking energy: -257.971 Base-Backbone interact. energy: 2.728 local terms energy: -302.882995 where: bonds (distance) C4'-P energy: -57.654 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -48.666 tors. eta vs tors. theta energy: -58.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -671.683263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.683263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.683263 (E_RNA) where: Base-Base interactions energy: -405.889 where: short stacking energy: -183.690 Base-Backbone interact. energy: -0.220 local terms energy: -265.574145 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -62.172 flat angles P-C4'-P energy: -36.812 tors. eta vs tors. theta energy: -33.607 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: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -513.865493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.865493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.865493 (E_RNA) where: Base-Base interactions energy: -287.585 where: short stacking energy: -142.446 Base-Backbone interact. energy: -0.630 local terms energy: -225.650444 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -68.678 flat angles C4'-P-C4' energy: -50.443 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -8.023 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: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -538.444576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.444576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.444576 (E_RNA) where: Base-Base interactions energy: -297.734 where: short stacking energy: -148.719 Base-Backbone interact. energy: -1.672 local terms energy: -239.038137 where: bonds (distance) C4'-P energy: -51.285 bonds (distance) P-C4' energy: -70.358 flat angles C4'-P-C4' energy: -60.922 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: -18.446 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: 300 Temperature: 1.350000 Total energy: -389.469148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.469148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.469148 (E_RNA) where: Base-Base interactions energy: -168.187 where: short stacking energy: -114.565 Base-Backbone interact. energy: 0.932 local terms energy: -222.213857 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -62.880 flat angles C4'-P-C4' energy: -51.644 flat angles P-C4'-P energy: -40.761 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1226.768775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.768775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.768775 (E_RNA) where: Base-Base interactions energy: -840.771 where: short stacking energy: -367.985 Base-Backbone interact. energy: -2.514 local terms energy: -383.484153 where: bonds (distance) C4'-P energy: -72.406 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -83.830 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: -106.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1178.973094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.973094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.973094 (E_RNA) where: Base-Base interactions energy: -808.883 where: short stacking energy: -338.777 Base-Backbone interact. energy: -0.240 local terms energy: -369.849262 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -78.941 flat angles P-C4'-P energy: -54.334 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1146.644267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.644267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.644267 (E_RNA) where: Base-Base interactions energy: -792.898 where: short stacking energy: -310.525 Base-Backbone interact. energy: -1.424 local terms energy: -352.322408 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -57.316 flat angles C4'-P-C4' energy: -74.611 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -97.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1047.979861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.979861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.979861 (E_RNA) where: Base-Base interactions energy: -723.060 where: short stacking energy: -288.069 Base-Backbone interact. energy: -2.108 local terms energy: -322.811886 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -60.298 flat angles C4'-P-C4' energy: -79.721 flat angles P-C4'-P energy: -44.229 tors. eta vs tors. theta energy: -78.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -991.092767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.092767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.092767 (E_RNA) where: Base-Base interactions energy: -674.232 where: short stacking energy: -254.024 Base-Backbone interact. energy: -2.088 local terms energy: -314.772448 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -69.199 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -74.641 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: 301 Temperature: 1.150000 Total energy: -916.721526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.721526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.721526 (E_RNA) where: Base-Base interactions energy: -615.760 where: short stacking energy: -251.224 Base-Backbone interact. energy: -0.581 local terms energy: -300.381027 where: bonds (distance) C4'-P energy: -49.915 bonds (distance) P-C4' energy: -60.071 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -40.118 tors. eta vs tors. theta energy: -70.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -697.761248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.761248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.761248 (E_RNA) where: Base-Base interactions energy: -418.258 where: short stacking energy: -192.351 Base-Backbone interact. energy: -0.275 local terms energy: -279.227930 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -71.240 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -39.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -592.911330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.911330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.911330 (E_RNA) where: Base-Base interactions energy: -332.091 where: short stacking energy: -180.026 Base-Backbone interact. energy: -1.119 local terms energy: -259.700930 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -59.967 flat angles P-C4'-P energy: -46.909 tors. eta vs tors. theta energy: -25.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -477.836226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.836226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.836226 (E_RNA) where: Base-Base interactions energy: -233.792 where: short stacking energy: -127.976 Base-Backbone interact. energy: -0.207 local terms energy: -243.838029 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -62.966 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -40.879 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -356.151554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.151554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.151554 (E_RNA) where: Base-Base interactions energy: -154.016 where: short stacking energy: -110.500 Base-Backbone interact. energy: -1.040 local terms energy: -201.095025 where: bonds (distance) C4'-P energy: -61.301 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -44.580 flat angles P-C4'-P energy: -16.648 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1195.973505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.973505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.973505 (E_RNA) where: Base-Base interactions energy: -835.198 where: short stacking energy: -343.835 Base-Backbone interact. energy: -0.837 local terms energy: -359.937934 where: bonds (distance) C4'-P energy: -65.835 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -104.021 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: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1191.621693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.621693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.621693 (E_RNA) where: Base-Base interactions energy: -808.590 where: short stacking energy: -333.783 Base-Backbone interact. energy: -1.878 local terms energy: -381.153418 where: bonds (distance) C4'-P energy: -69.684 bonds (distance) P-C4' energy: -73.520 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -106.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1154.070179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.070179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.070179 (E_RNA) where: Base-Base interactions energy: -787.411 where: short stacking energy: -327.654 Base-Backbone interact. energy: 0.391 local terms energy: -367.050043 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -75.195 flat angles C4'-P-C4' energy: -82.724 flat angles P-C4'-P energy: -52.334 tors. eta vs tors. theta energy: -98.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1065.703131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.703131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.703131 (E_RNA) where: Base-Base interactions energy: -719.332 where: short stacking energy: -299.479 Base-Backbone interact. energy: -1.420 local terms energy: -344.951293 where: bonds (distance) C4'-P energy: -67.268 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -76.504 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -87.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -955.119471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.119471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.119471 (E_RNA) where: Base-Base interactions energy: -634.975 where: short stacking energy: -253.576 Base-Backbone interact. energy: -0.851 local terms energy: -319.293321 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -69.472 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -50.254 tors. eta vs tors. theta energy: -65.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -999.034321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.034321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.034321 (E_RNA) where: Base-Base interactions energy: -699.937 where: short stacking energy: -278.260 Base-Backbone interact. energy: -1.187 local terms energy: -297.910210 where: bonds (distance) C4'-P energy: -58.119 bonds (distance) P-C4' energy: -64.924 flat angles C4'-P-C4' energy: -58.253 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: -76.812 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: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -676.598835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.598835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.598835 (E_RNA) where: Base-Base interactions energy: -410.731 where: short stacking energy: -193.447 Base-Backbone interact. energy: -0.718 local terms energy: -265.149266 where: bonds (distance) C4'-P energy: -66.848 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -50.603 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -37.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -561.913568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.913568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.913568 (E_RNA) where: Base-Base interactions energy: -304.398 where: short stacking energy: -156.958 Base-Backbone interact. energy: -1.885 local terms energy: -255.630526 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -73.963 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -35.533 tors. eta vs tors. theta energy: -22.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -454.530727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.530727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.530727 (E_RNA) where: Base-Base interactions energy: -244.590 where: short stacking energy: -144.122 Base-Backbone interact. energy: -0.670 local terms energy: -209.270189 where: bonds (distance) C4'-P energy: -54.476 bonds (distance) P-C4' energy: -50.957 flat angles C4'-P-C4' energy: -53.191 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: -15.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -371.316074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.316074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.316074 (E_RNA) where: Base-Base interactions energy: -165.638 where: short stacking energy: -106.419 Base-Backbone interact. energy: -2.982 local terms energy: -202.696611 where: bonds (distance) C4'-P energy: -70.159 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -14.891 tors. eta vs tors. theta energy: 7.275 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: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1191.206342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.206342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.206342 (E_RNA) where: Base-Base interactions energy: -804.906 where: short stacking energy: -340.102 Base-Backbone interact. energy: -2.559 local terms energy: -383.742114 where: bonds (distance) C4'-P energy: -65.659 bonds (distance) P-C4' energy: -75.729 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -54.658 tors. eta vs tors. theta energy: -102.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1195.679607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.679607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.679607 (E_RNA) where: Base-Base interactions energy: -827.542 where: short stacking energy: -327.331 Base-Backbone interact. energy: -1.155 local terms energy: -366.982454 where: bonds (distance) C4'-P energy: -75.109 bonds (distance) P-C4' energy: -63.917 flat angles C4'-P-C4' energy: -85.372 flat angles P-C4'-P energy: -40.382 tors. eta vs tors. theta energy: -102.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1171.084200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.084200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.084200 (E_RNA) where: Base-Base interactions energy: -775.328 where: short stacking energy: -342.362 Base-Backbone interact. energy: -1.698 local terms energy: -394.058160 where: bonds (distance) C4'-P energy: -73.625 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -83.822 flat angles P-C4'-P energy: -54.426 tors. eta vs tors. theta energy: -111.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1050.005774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.005774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.005774 (E_RNA) where: Base-Base interactions energy: -702.783 where: short stacking energy: -312.829 Base-Backbone interact. energy: -1.394 local terms energy: -345.828330 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -82.409 flat angles P-C4'-P energy: -51.368 tors. eta vs tors. theta energy: -86.642 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: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -961.337745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.337745 (E_RNA) where: Base-Base interactions energy: -651.908 where: short stacking energy: -286.743 Base-Backbone interact. energy: 3.586 local terms energy: -313.015650 where: bonds (distance) C4'-P energy: -65.575 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -49.127 tors. eta vs tors. theta energy: -70.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -991.513978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.513978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.513978 (E_RNA) where: Base-Base interactions energy: -679.833 where: short stacking energy: -273.236 Base-Backbone interact. energy: -0.201 local terms energy: -311.480650 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -77.578 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: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -683.765146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.765146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.765146 (E_RNA) where: Base-Base interactions energy: -410.755 where: short stacking energy: -191.797 Base-Backbone interact. energy: -0.292 local terms energy: -272.718754 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -70.347 flat angles C4'-P-C4' energy: -68.756 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: -42.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -614.810173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.810173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.810173 (E_RNA) where: Base-Base interactions energy: -355.682 where: short stacking energy: -158.131 Base-Backbone interact. energy: 0.816 local terms energy: -259.944544 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -63.121 flat angles C4'-P-C4' energy: -65.540 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -25.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -470.130780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.130780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.130780 (E_RNA) where: Base-Base interactions energy: -260.740 where: short stacking energy: -143.086 Base-Backbone interact. energy: -1.120 local terms energy: -208.270478 where: bonds (distance) C4'-P energy: -42.084 bonds (distance) P-C4' energy: -58.951 flat angles C4'-P-C4' energy: -56.359 flat angles P-C4'-P energy: -39.081 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -417.551035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.551035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.551035 (E_RNA) where: Base-Base interactions energy: -202.919 where: short stacking energy: -108.847 Base-Backbone interact. energy: 2.087 local terms energy: -216.719127 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -57.592 flat angles P-C4'-P energy: -32.618 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1215.029155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.029155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.029155 (E_RNA) where: Base-Base interactions energy: -833.131 where: short stacking energy: -352.484 Base-Backbone interact. energy: -0.343 local terms energy: -381.555352 where: bonds (distance) C4'-P energy: -68.194 bonds (distance) P-C4' energy: -70.642 flat angles C4'-P-C4' energy: -79.240 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -111.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1160.749979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.749979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.749979 (E_RNA) where: Base-Base interactions energy: -784.021 where: short stacking energy: -321.497 Base-Backbone interact. energy: -1.917 local terms energy: -374.811951 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -75.815 flat angles C4'-P-C4' energy: -82.560 flat angles P-C4'-P energy: -53.340 tors. eta vs tors. theta energy: -91.449 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: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1155.375727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.375727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.375727 (E_RNA) where: Base-Base interactions energy: -791.771 where: short stacking energy: -354.969 Base-Backbone interact. energy: -0.452 local terms energy: -363.152768 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -49.320 tors. eta vs tors. theta energy: -110.932 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: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1028.098882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.098882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.098882 (E_RNA) where: Base-Base interactions energy: -695.351 where: short stacking energy: -298.946 Base-Backbone interact. energy: 1.971 local terms energy: -334.719031 where: bonds (distance) C4'-P energy: -65.690 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -78.748 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -76.957 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: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -981.418430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.418430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.418430 (E_RNA) where: Base-Base interactions energy: -646.914 where: short stacking energy: -286.699 Base-Backbone interact. energy: -0.010 local terms energy: -334.494041 where: bonds (distance) C4'-P energy: -57.731 bonds (distance) P-C4' energy: -69.295 flat angles C4'-P-C4' energy: -83.491 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -77.403 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: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -970.022478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.022478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.022478 (E_RNA) where: Base-Base interactions energy: -681.469 where: short stacking energy: -243.173 Base-Backbone interact. energy: 1.898 local terms energy: -290.452161 where: bonds (distance) C4'-P energy: -65.513 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -56.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -682.814385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.814385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.814385 (E_RNA) where: Base-Base interactions energy: -413.563 where: short stacking energy: -203.808 Base-Backbone interact. energy: -1.650 local terms energy: -267.601740 where: bonds (distance) C4'-P energy: -53.904 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -39.566 tors. eta vs tors. theta energy: -51.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -508.540157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.540157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.540157 (E_RNA) where: Base-Base interactions energy: -285.070 where: short stacking energy: -149.708 Base-Backbone interact. energy: -0.316 local terms energy: -223.154398 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -65.347 flat angles P-C4'-P energy: -35.118 tors. eta vs tors. theta energy: -11.126 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: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -447.908247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.908247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.908247 (E_RNA) where: Base-Base interactions energy: -223.509 where: short stacking energy: -116.665 Base-Backbone interact. energy: -1.517 local terms energy: -222.881910 where: bonds (distance) C4'-P energy: -53.624 bonds (distance) P-C4' energy: -71.176 flat angles C4'-P-C4' energy: -60.422 flat angles P-C4'-P energy: -38.482 tors. eta vs tors. theta energy: 0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -448.940543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.940543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.940543 (E_RNA) where: Base-Base interactions energy: -228.244 where: short stacking energy: -133.846 Base-Backbone interact. energy: -1.816 local terms energy: -218.880586 where: bonds (distance) C4'-P energy: -58.878 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -52.172 flat angles P-C4'-P energy: -26.260 tors. eta vs tors. theta energy: -10.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1209.659412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.659412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.659412 (E_RNA) where: Base-Base interactions energy: -823.818 where: short stacking energy: -359.626 Base-Backbone interact. energy: 0.378 local terms energy: -386.219947 where: bonds (distance) C4'-P energy: -74.940 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -79.889 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -105.006 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: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1169.027714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.027714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.027714 (E_RNA) where: Base-Base interactions energy: -792.253 where: short stacking energy: -351.311 Base-Backbone interact. energy: -1.336 local terms energy: -375.438279 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -73.491 flat angles C4'-P-C4' energy: -77.164 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -103.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1175.247536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.247536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.247536 (E_RNA) where: Base-Base interactions energy: -802.682 where: short stacking energy: -360.774 Base-Backbone interact. energy: -1.612 local terms energy: -370.953714 where: bonds (distance) C4'-P energy: -71.108 bonds (distance) P-C4' energy: -68.541 flat angles C4'-P-C4' energy: -78.324 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -107.525 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: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1023.840544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.840544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.840544 (E_RNA) where: Base-Base interactions energy: -683.109 where: short stacking energy: -304.014 Base-Backbone interact. energy: 4.050 local terms energy: -344.782462 where: bonds (distance) C4'-P energy: -66.438 bonds (distance) P-C4' energy: -71.000 flat angles C4'-P-C4' energy: -84.672 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: -81.922 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: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -974.440006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.440006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.440006 (E_RNA) where: Base-Base interactions energy: -645.154 where: short stacking energy: -270.569 Base-Backbone interact. energy: 2.586 local terms energy: -331.872068 where: bonds (distance) C4'-P energy: -62.130 bonds (distance) P-C4' energy: -70.058 flat angles C4'-P-C4' energy: -71.849 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -78.598 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: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -944.542645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.542645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.542645 (E_RNA) where: Base-Base interactions energy: -642.573 where: short stacking energy: -235.927 Base-Backbone interact. energy: -2.857 local terms energy: -299.112766 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -54.074 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -68.974 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: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -689.934560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.934560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.934560 (E_RNA) where: Base-Base interactions energy: -449.789 where: short stacking energy: -187.723 Base-Backbone interact. energy: -0.967 local terms energy: -239.177820 where: bonds (distance) C4'-P energy: -45.383 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -56.343 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -34.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -492.775314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.775314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.775314 (E_RNA) where: Base-Base interactions energy: -253.629 where: short stacking energy: -146.590 Base-Backbone interact. energy: 0.814 local terms energy: -239.960522 where: bonds (distance) C4'-P energy: -57.795 bonds (distance) P-C4' energy: -64.979 flat angles C4'-P-C4' energy: -61.922 flat angles P-C4'-P energy: -34.514 tors. eta vs tors. theta energy: -20.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -435.051547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.051547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.051547 (E_RNA) where: Base-Base interactions energy: -212.408 where: short stacking energy: -116.209 Base-Backbone interact. energy: -0.089 local terms energy: -222.554957 where: bonds (distance) C4'-P energy: -65.901 bonds (distance) P-C4' energy: -67.287 flat angles C4'-P-C4' energy: -60.753 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: -3.923 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: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -469.908154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.908154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.908154 (E_RNA) where: Base-Base interactions energy: -251.945 where: short stacking energy: -121.201 Base-Backbone interact. energy: 0.361 local terms energy: -218.324959 where: bonds (distance) C4'-P energy: -54.081 bonds (distance) P-C4' energy: -65.478 flat angles C4'-P-C4' energy: -48.880 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1197.299054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.299054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.299054 (E_RNA) where: Base-Base interactions energy: -789.381 where: short stacking energy: -352.029 Base-Backbone interact. energy: 0.023 local terms energy: -407.940973 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -78.451 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -62.178 tors. eta vs tors. theta energy: -106.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1176.065910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.065910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.065910 (E_RNA) where: Base-Base interactions energy: -806.605 where: short stacking energy: -330.435 Base-Backbone interact. energy: -0.131 local terms energy: -369.330276 where: bonds (distance) C4'-P energy: -71.686 bonds (distance) P-C4' energy: -67.678 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -98.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1162.573324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.573324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.573324 (E_RNA) where: Base-Base interactions energy: -789.557 where: short stacking energy: -340.135 Base-Backbone interact. energy: 0.266 local terms energy: -373.281703 where: bonds (distance) C4'-P energy: -67.723 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -81.391 flat angles P-C4'-P energy: -48.965 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: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1030.038449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.038449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.038449 (E_RNA) where: Base-Base interactions energy: -684.273 where: short stacking energy: -282.524 Base-Backbone interact. energy: -0.757 local terms energy: -345.007804 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -78.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1030.133777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.133777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.133777 (E_RNA) where: Base-Base interactions energy: -733.286 where: short stacking energy: -278.480 Base-Backbone interact. energy: -2.524 local terms energy: -294.322903 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -75.198 flat angles P-C4'-P energy: -34.855 tors. eta vs tors. theta energy: -74.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -915.347375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.347375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.347375 (E_RNA) where: Base-Base interactions energy: -623.578 where: short stacking energy: -248.822 Base-Backbone interact. energy: -1.626 local terms energy: -290.143684 where: bonds (distance) C4'-P energy: -46.741 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -76.707 flat angles P-C4'-P energy: -35.009 tors. eta vs tors. theta energy: -67.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -710.737176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.737176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.737176 (E_RNA) where: Base-Base interactions energy: -438.391 where: short stacking energy: -213.828 Base-Backbone interact. energy: -2.188 local terms energy: -270.158611 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -58.818 flat angles P-C4'-P energy: -47.097 tors. eta vs tors. theta energy: -48.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -508.539676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.539676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.539676 (E_RNA) where: Base-Base interactions energy: -288.915 where: short stacking energy: -158.544 Base-Backbone interact. energy: -0.090 local terms energy: -219.534116 where: bonds (distance) C4'-P energy: -55.628 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -50.985 flat angles P-C4'-P energy: -25.475 tors. eta vs tors. theta energy: -23.471 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: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -505.843545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.843545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.843545 (E_RNA) where: Base-Base interactions energy: -292.457 where: short stacking energy: -154.561 Base-Backbone interact. energy: 4.844 local terms energy: -218.230864 where: bonds (distance) C4'-P energy: -40.031 bonds (distance) P-C4' energy: -62.085 flat angles C4'-P-C4' energy: -64.109 flat angles P-C4'-P energy: -30.830 tors. eta vs tors. theta energy: -21.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -371.327337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.327337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.327337 (E_RNA) where: Base-Base interactions energy: -178.855 where: short stacking energy: -102.220 Base-Backbone interact. energy: 3.475 local terms energy: -195.947042 where: bonds (distance) C4'-P energy: -56.603 bonds (distance) P-C4' energy: -70.311 flat angles C4'-P-C4' energy: -41.239 flat angles P-C4'-P energy: -26.659 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1190.123751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.123751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.123751 (E_RNA) where: Base-Base interactions energy: -809.366 where: short stacking energy: -341.503 Base-Backbone interact. energy: -0.877 local terms energy: -379.880570 where: bonds (distance) C4'-P energy: -76.581 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -79.363 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -104.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1190.853854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.853854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.853854 (E_RNA) where: Base-Base interactions energy: -807.182 where: short stacking energy: -353.462 Base-Backbone interact. energy: -3.073 local terms energy: -380.598523 where: bonds (distance) C4'-P energy: -74.310 bonds (distance) P-C4' energy: -64.128 flat angles C4'-P-C4' energy: -83.767 flat angles P-C4'-P energy: -52.322 tors. eta vs tors. theta energy: -106.070 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: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1120.635669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.635669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.635669 (E_RNA) where: Base-Base interactions energy: -767.772 where: short stacking energy: -335.992 Base-Backbone interact. energy: -1.716 local terms energy: -351.147815 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -66.518 flat angles C4'-P-C4' energy: -71.832 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -96.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1029.864336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.864336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.864336 (E_RNA) where: Base-Base interactions energy: -701.815 where: short stacking energy: -286.262 Base-Backbone interact. energy: -1.896 local terms energy: -326.153123 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -63.247 flat angles C4'-P-C4' energy: -67.395 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -80.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1009.168066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.168066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.168066 (E_RNA) where: Base-Base interactions energy: -686.458 where: short stacking energy: -256.760 Base-Backbone interact. energy: 0.091 local terms energy: -322.800596 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -67.800 flat angles C4'-P-C4' energy: -65.503 flat angles P-C4'-P energy: -38.851 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: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -892.311399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.311399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.311399 (E_RNA) where: Base-Base interactions energy: -588.274 where: short stacking energy: -253.657 Base-Backbone interact. energy: 0.407 local terms energy: -304.444317 where: bonds (distance) C4'-P energy: -63.811 bonds (distance) P-C4' energy: -44.313 flat angles C4'-P-C4' energy: -69.932 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -73.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -755.249223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.249223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.249223 (E_RNA) where: Base-Base interactions energy: -479.845 where: short stacking energy: -212.296 Base-Backbone interact. energy: -0.597 local terms energy: -274.807893 where: bonds (distance) C4'-P energy: -49.863 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -70.243 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -47.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -546.652981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.652981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.652981 (E_RNA) where: Base-Base interactions energy: -281.709 where: short stacking energy: -143.740 Base-Backbone interact. energy: 0.014 local terms energy: -264.958484 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -72.554 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -37.883 tors. eta vs tors. theta energy: -15.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -468.282261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.282261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.282261 (E_RNA) where: Base-Base interactions energy: -239.401 where: short stacking energy: -140.556 Base-Backbone interact. energy: -1.577 local terms energy: -227.304659 where: bonds (distance) C4'-P energy: -58.735 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -66.816 flat angles P-C4'-P energy: -37.497 tors. eta vs tors. theta energy: -8.742 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: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -379.825721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.825721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.825721 (E_RNA) where: Base-Base interactions energy: -147.885 where: short stacking energy: -94.930 Base-Backbone interact. energy: 1.006 local terms energy: -232.947592 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -54.704 flat angles C4'-P-C4' energy: -53.647 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -13.280 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: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1214.193217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.193217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.193217 (E_RNA) where: Base-Base interactions energy: -827.536 where: short stacking energy: -369.432 Base-Backbone interact. energy: -1.553 local terms energy: -385.103773 where: bonds (distance) C4'-P energy: -75.714 bonds (distance) P-C4' energy: -73.125 flat angles C4'-P-C4' energy: -81.387 flat angles P-C4'-P energy: -44.765 tors. eta vs tors. theta energy: -110.113 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: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1174.868846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.868846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.868846 (E_RNA) where: Base-Base interactions energy: -789.039 where: short stacking energy: -346.869 Base-Backbone interact. energy: -1.633 local terms energy: -384.196952 where: bonds (distance) C4'-P energy: -72.283 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -85.701 flat angles P-C4'-P energy: -53.072 tors. eta vs tors. theta energy: -101.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1115.055461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.055461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.055461 (E_RNA) where: Base-Base interactions energy: -745.857 where: short stacking energy: -328.965 Base-Backbone interact. energy: 1.334 local terms energy: -370.531914 where: bonds (distance) C4'-P energy: -67.821 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -75.840 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -102.542 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: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1052.933296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.933296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.933296 (E_RNA) where: Base-Base interactions energy: -714.153 where: short stacking energy: -298.964 Base-Backbone interact. energy: 2.191 local terms energy: -340.971016 where: bonds (distance) C4'-P energy: -65.071 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -75.347 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -80.731 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: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -997.914075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.914075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.914075 (E_RNA) where: Base-Base interactions energy: -671.165 where: short stacking energy: -270.039 Base-Backbone interact. energy: 2.155 local terms energy: -328.903892 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -71.529 flat angles C4'-P-C4' energy: -75.703 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -71.622 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: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -937.868594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.868594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.868594 (E_RNA) where: Base-Base interactions energy: -620.089 where: short stacking energy: -260.278 Base-Backbone interact. energy: -0.177 local terms energy: -317.602325 where: bonds (distance) C4'-P energy: -64.800 bonds (distance) P-C4' energy: -66.693 flat angles C4'-P-C4' energy: -79.408 flat angles P-C4'-P energy: -38.398 tors. eta vs tors. theta energy: -68.303 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: 308 Temperature: 1.200000 Total energy: -715.757521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.757521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.757521 (E_RNA) where: Base-Base interactions energy: -461.708 where: short stacking energy: -191.531 Base-Backbone interact. energy: -0.963 local terms energy: -253.086514 where: bonds (distance) C4'-P energy: -58.568 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -52.646 flat angles P-C4'-P energy: -31.802 tors. eta vs tors. theta energy: -37.837 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: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -499.020545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.020545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.020545 (E_RNA) where: Base-Base interactions energy: -283.458 where: short stacking energy: -135.014 Base-Backbone interact. energy: 0.215 local terms energy: -215.777155 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -60.582 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -533.264566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.264566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.264566 (E_RNA) where: Base-Base interactions energy: -305.783 where: short stacking energy: -166.320 Base-Backbone interact. energy: 1.141 local terms energy: -228.622679 where: bonds (distance) C4'-P energy: -46.448 bonds (distance) P-C4' energy: -64.522 flat angles C4'-P-C4' energy: -52.272 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -30.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -372.087290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.087290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.087290 (E_RNA) where: Base-Base interactions energy: -159.132 where: short stacking energy: -88.515 Base-Backbone interact. energy: 1.159 local terms energy: -214.114109 where: bonds (distance) C4'-P energy: -66.366 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -49.211 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: 7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1229.265444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.265444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.265444 (E_RNA) where: Base-Base interactions energy: -840.966 where: short stacking energy: -366.553 Base-Backbone interact. energy: -1.273 local terms energy: -387.026254 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -69.887 flat angles C4'-P-C4' energy: -81.030 flat angles P-C4'-P energy: -56.694 tors. eta vs tors. theta energy: -113.628 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: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1179.953759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.953759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.953759 (E_RNA) where: Base-Base interactions energy: -803.880 where: short stacking energy: -346.559 Base-Backbone interact. energy: -0.191 local terms energy: -375.883637 where: bonds (distance) C4'-P energy: -73.025 bonds (distance) P-C4' energy: -76.555 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -100.720 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1120.070122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.070122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.070122 (E_RNA) where: Base-Base interactions energy: -765.100 where: short stacking energy: -316.426 Base-Backbone interact. energy: 3.584 local terms energy: -358.554148 where: bonds (distance) C4'-P energy: -68.035 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -55.297 tors. eta vs tors. theta energy: -95.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1060.377606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.377606 (E_RNA) where: Base-Base interactions energy: -698.001 where: short stacking energy: -316.084 Base-Backbone interact. energy: -1.950 local terms energy: -360.426618 where: bonds (distance) C4'-P energy: -75.711 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -86.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -982.148252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.148252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.148252 (E_RNA) where: Base-Base interactions energy: -686.303 where: short stacking energy: -259.454 Base-Backbone interact. energy: -0.872 local terms energy: -294.973646 where: bonds (distance) C4'-P energy: -62.296 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -63.412 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: -64.772 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: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -957.013377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.013377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.013377 (E_RNA) where: Base-Base interactions energy: -632.530 where: short stacking energy: -276.561 Base-Backbone interact. energy: -0.075 local terms energy: -324.409111 where: bonds (distance) C4'-P energy: -73.155 bonds (distance) P-C4' energy: -50.952 flat angles C4'-P-C4' energy: -80.332 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -71.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -741.617231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.617231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.617231 (E_RNA) where: Base-Base interactions energy: -462.978 where: short stacking energy: -207.587 Base-Backbone interact. energy: 0.395 local terms energy: -279.034164 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -61.278 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -36.860 tors. eta vs tors. theta energy: -45.394 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: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -507.923133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.923133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.923133 (E_RNA) where: Base-Base interactions energy: -269.501 where: short stacking energy: -162.340 Base-Backbone interact. energy: 3.233 local terms energy: -241.654820 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -58.390 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -26.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -471.686657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.686657 (E_RNA) where: Base-Base interactions energy: -252.659 where: short stacking energy: -124.984 Base-Backbone interact. energy: 2.515 local terms energy: -221.542799 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -61.063 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -24.543 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -290.263688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.263688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.263688 (E_RNA) where: Base-Base interactions energy: -94.716 where: short stacking energy: -89.690 Base-Backbone interact. energy: 0.100 local terms energy: -195.648000 where: bonds (distance) C4'-P energy: -54.237 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -23.763 tors. eta vs tors. theta energy: 9.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1203.473674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.473674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.473674 (E_RNA) where: Base-Base interactions energy: -805.956 where: short stacking energy: -357.783 Base-Backbone interact. energy: -1.236 local terms energy: -396.281457 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -84.507 flat angles P-C4'-P energy: -53.412 tors. eta vs tors. theta energy: -112.880 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: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1188.544437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.544437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.544437 (E_RNA) where: Base-Base interactions energy: -807.211 where: short stacking energy: -345.558 Base-Backbone interact. energy: -2.842 local terms energy: -378.491296 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -68.402 flat angles C4'-P-C4' energy: -80.299 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -110.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1124.434136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.434136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.434136 (E_RNA) where: Base-Base interactions energy: -773.403 where: short stacking energy: -330.339 Base-Backbone interact. energy: 5.999 local terms energy: -357.030553 where: bonds (distance) C4'-P energy: -56.232 bonds (distance) P-C4' energy: -69.540 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -100.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1039.720283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.720283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.720283 (E_RNA) where: Base-Base interactions energy: -689.462 where: short stacking energy: -302.689 Base-Backbone interact. energy: -0.767 local terms energy: -349.491682 where: bonds (distance) C4'-P energy: -65.555 bonds (distance) P-C4' energy: -75.283 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -55.166 tors. eta vs tors. theta energy: -79.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -974.437343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.437343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.437343 (E_RNA) where: Base-Base interactions energy: -666.379 where: short stacking energy: -276.604 Base-Backbone interact. energy: 0.227 local terms energy: -308.285220 where: bonds (distance) C4'-P energy: -54.540 bonds (distance) P-C4' energy: -71.735 flat angles C4'-P-C4' energy: -69.554 flat angles P-C4'-P energy: -43.596 tors. eta vs tors. theta energy: -68.860 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: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -911.812296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.812296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.812296 (E_RNA) where: Base-Base interactions energy: -573.046 where: short stacking energy: -261.835 Base-Backbone interact. energy: -0.787 local terms energy: -337.979389 where: bonds (distance) C4'-P energy: -73.731 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -76.891 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: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -743.111775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.111775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.111775 (E_RNA) where: Base-Base interactions energy: -467.474 where: short stacking energy: -196.137 Base-Backbone interact. energy: -1.193 local terms energy: -274.444695 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -39.434 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: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -501.232021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.232021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.232021 (E_RNA) where: Base-Base interactions energy: -262.176 where: short stacking energy: -119.758 Base-Backbone interact. energy: 0.592 local terms energy: -239.647821 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -58.683 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -17.413 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: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -469.317286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.317286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.317286 (E_RNA) where: Base-Base interactions energy: -237.925 where: short stacking energy: -128.326 Base-Backbone interact. energy: 0.166 local terms energy: -231.558609 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -61.017 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -37.291 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: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -297.858659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.858659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.858659 (E_RNA) where: Base-Base interactions energy: -108.609 where: short stacking energy: -61.801 Base-Backbone interact. energy: 2.970 local terms energy: -192.219308 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -63.736 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -35.921 tors. eta vs tors. theta energy: 26.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1205.919434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.919434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.919434 (E_RNA) where: Base-Base interactions energy: -805.998 where: short stacking energy: -361.557 Base-Backbone interact. energy: -2.897 local terms energy: -397.024837 where: bonds (distance) C4'-P energy: -73.398 bonds (distance) P-C4' energy: -83.849 flat angles C4'-P-C4' energy: -77.883 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -117.983 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: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1191.581775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.581775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.581775 (E_RNA) where: Base-Base interactions energy: -792.373 where: short stacking energy: -352.492 Base-Backbone interact. energy: -0.174 local terms energy: -399.034350 where: bonds (distance) C4'-P energy: -75.456 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -86.127 flat angles P-C4'-P energy: -54.947 tors. eta vs tors. theta energy: -106.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1123.174421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.174421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.174421 (E_RNA) where: Base-Base interactions energy: -765.575 where: short stacking energy: -314.806 Base-Backbone interact. energy: -0.694 local terms energy: -356.904768 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -74.519 flat angles C4'-P-C4' energy: -69.308 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: -92.772 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: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1012.271910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.271910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.271910 (E_RNA) where: Base-Base interactions energy: -677.147 where: short stacking energy: -290.851 Base-Backbone interact. energy: -0.985 local terms energy: -334.140482 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -77.444 flat angles P-C4'-P energy: -45.144 tors. eta vs tors. theta energy: -85.527 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: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -969.236991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.236991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.236991 (E_RNA) where: Base-Base interactions energy: -661.744 where: short stacking energy: -263.944 Base-Backbone interact. energy: -2.039 local terms energy: -305.453908 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -71.485 flat angles C4'-P-C4' energy: -59.085 flat angles P-C4'-P energy: -41.500 tors. eta vs tors. theta energy: -70.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -944.966328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.966328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.966328 (E_RNA) where: Base-Base interactions energy: -617.521 where: short stacking energy: -258.498 Base-Backbone interact. energy: -0.297 local terms energy: -327.148038 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -67.910 flat angles P-C4'-P energy: -51.625 tors. eta vs tors. theta energy: -82.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -668.013470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.013470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.013470 (E_RNA) where: Base-Base interactions energy: -395.946 where: short stacking energy: -184.922 Base-Backbone interact. energy: 0.684 local terms energy: -272.751307 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -60.991 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -49.146 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: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -492.827415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.827415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.827415 (E_RNA) where: Base-Base interactions energy: -250.218 where: short stacking energy: -153.925 Base-Backbone interact. energy: -1.621 local terms energy: -240.988476 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -67.159 flat angles C4'-P-C4' energy: -41.342 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -27.985 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: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -496.543504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.543504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.543504 (E_RNA) where: Base-Base interactions energy: -277.961 where: short stacking energy: -131.819 Base-Backbone interact. energy: -0.904 local terms energy: -217.678907 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -73.756 flat angles P-C4'-P energy: -28.616 tors. eta vs tors. theta energy: 2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -281.403005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.403005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.403005 (E_RNA) where: Base-Base interactions energy: -102.129 where: short stacking energy: -75.042 Base-Backbone interact. energy: -1.016 local terms energy: -178.258586 where: bonds (distance) C4'-P energy: -48.100 bonds (distance) P-C4' energy: -59.073 flat angles C4'-P-C4' energy: -56.572 flat angles P-C4'-P energy: -24.801 tors. eta vs tors. theta energy: 10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1214.970402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.970402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.970402 (E_RNA) where: Base-Base interactions energy: -816.934 where: short stacking energy: -346.491 Base-Backbone interact. energy: -2.180 local terms energy: -395.856262 where: bonds (distance) C4'-P energy: -84.851 bonds (distance) P-C4' energy: -71.632 flat angles C4'-P-C4' energy: -76.518 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -110.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1177.033383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.033383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.033383 (E_RNA) where: Base-Base interactions energy: -801.944 where: short stacking energy: -352.280 Base-Backbone interact. energy: -1.305 local terms energy: -373.784231 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -61.924 flat angles C4'-P-C4' energy: -77.754 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -114.963 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: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1132.729955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.729955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.729955 (E_RNA) where: Base-Base interactions energy: -779.392 where: short stacking energy: -302.540 Base-Backbone interact. energy: -2.289 local terms energy: -351.049388 where: bonds (distance) C4'-P energy: -62.479 bonds (distance) P-C4' energy: -79.791 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: -98.580 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: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1055.408117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.408117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.408117 (E_RNA) where: Base-Base interactions energy: -694.825 where: short stacking energy: -307.545 Base-Backbone interact. energy: 1.956 local terms energy: -362.539026 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -72.156 flat angles C4'-P-C4' energy: -79.358 flat angles P-C4'-P energy: -58.381 tors. eta vs tors. theta energy: -93.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1005.872295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.872295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.872295 (E_RNA) where: Base-Base interactions energy: -682.090 where: short stacking energy: -273.691 Base-Backbone interact. energy: 0.195 local terms energy: -323.977165 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -79.854 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -39.906 tors. eta vs tors. theta energy: -69.727 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: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -845.434175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.434175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.434175 (E_RNA) where: Base-Base interactions energy: -536.047 where: short stacking energy: -233.138 Base-Backbone interact. energy: -0.777 local terms energy: -308.609392 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -78.803 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -60.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -693.471787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.471787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.471787 (E_RNA) where: Base-Base interactions energy: -427.182 where: short stacking energy: -183.870 Base-Backbone interact. energy: -1.326 local terms energy: -264.963080 where: bonds (distance) C4'-P energy: -65.411 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -35.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -504.222027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.222027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.222027 (E_RNA) where: Base-Base interactions energy: -257.789 where: short stacking energy: -145.132 Base-Backbone interact. energy: -1.108 local terms energy: -245.324886 where: bonds (distance) C4'-P energy: -70.058 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -56.124 flat angles P-C4'-P energy: -34.072 tors. eta vs tors. theta energy: -23.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -474.692133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.692133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.692133 (E_RNA) where: Base-Base interactions energy: -255.913 where: short stacking energy: -142.012 Base-Backbone interact. energy: 1.235 local terms energy: -220.013673 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -18.959 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: 312 Temperature: 1.350000 Total energy: -289.875231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.875231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.875231 (E_RNA) where: Base-Base interactions energy: -81.437 where: short stacking energy: -59.556 Base-Backbone interact. energy: 0.588 local terms energy: -209.026686 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -32.567 tors. eta vs tors. theta energy: 7.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1219.549809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.549809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.549809 (E_RNA) where: Base-Base interactions energy: -834.897 where: short stacking energy: -372.237 Base-Backbone interact. energy: -1.354 local terms energy: -383.298510 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -79.113 flat angles C4'-P-C4' energy: -76.757 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -112.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1155.951616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.951616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.951616 (E_RNA) where: Base-Base interactions energy: -770.170 where: short stacking energy: -336.734 Base-Backbone interact. energy: -1.370 local terms energy: -384.411881 where: bonds (distance) C4'-P energy: -74.599 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -83.733 flat angles P-C4'-P energy: -55.723 tors. eta vs tors. theta energy: -99.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1151.538375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.538375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.538375 (E_RNA) where: Base-Base interactions energy: -779.944 where: short stacking energy: -325.169 Base-Backbone interact. energy: -0.782 local terms energy: -370.811870 where: bonds (distance) C4'-P energy: -71.316 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -78.200 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -103.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1045.667386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.667386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.667386 (E_RNA) where: Base-Base interactions energy: -710.959 where: short stacking energy: -316.612 Base-Backbone interact. energy: -1.092 local terms energy: -333.616060 where: bonds (distance) C4'-P energy: -67.857 bonds (distance) P-C4' energy: -52.872 flat angles C4'-P-C4' energy: -86.102 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -87.394 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: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -976.229579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.229579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.229579 (E_RNA) where: Base-Base interactions energy: -665.458 where: short stacking energy: -259.224 Base-Backbone interact. energy: -1.957 local terms energy: -308.813854 where: bonds (distance) C4'-P energy: -53.822 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -68.481 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -64.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -849.714974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.714974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.714974 (E_RNA) where: Base-Base interactions energy: -547.245 where: short stacking energy: -266.105 Base-Backbone interact. energy: -0.596 local terms energy: -301.873959 where: bonds (distance) C4'-P energy: -60.349 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -67.324 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -68.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -682.337021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.337021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.337021 (E_RNA) where: Base-Base interactions energy: -440.608 where: short stacking energy: -216.345 Base-Backbone interact. energy: -1.954 local terms energy: -239.774766 where: bonds (distance) C4'-P energy: -51.962 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -26.373 tors. eta vs tors. theta energy: -37.212 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: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -498.723594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.723594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.723594 (E_RNA) where: Base-Base interactions energy: -254.287 where: short stacking energy: -130.560 Base-Backbone interact. energy: 0.931 local terms energy: -245.367377 where: bonds (distance) C4'-P energy: -62.190 bonds (distance) P-C4' energy: -62.044 flat angles C4'-P-C4' energy: -60.024 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -20.640 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: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -528.528208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.528208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.528208 (E_RNA) where: Base-Base interactions energy: -276.188 where: short stacking energy: -143.064 Base-Backbone interact. energy: -0.300 local terms energy: -252.039826 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -66.051 flat angles C4'-P-C4' energy: -59.951 flat angles P-C4'-P energy: -36.282 tors. eta vs tors. theta energy: -21.316 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: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -290.743243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.743243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.743243 (E_RNA) where: Base-Base interactions energy: -97.290 where: short stacking energy: -80.517 Base-Backbone interact. energy: -1.712 local terms energy: -191.741753 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -47.348 flat angles P-C4'-P energy: -30.757 tors. eta vs tors. theta energy: 7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1217.841752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.841752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.841752 (E_RNA) where: Base-Base interactions energy: -841.033 where: short stacking energy: -362.891 Base-Backbone interact. energy: -1.205 local terms energy: -375.603392 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -84.552 flat angles P-C4'-P energy: -46.186 tors. eta vs tors. theta energy: -102.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1146.118840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.118840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.118840 (E_RNA) where: Base-Base interactions energy: -769.981 where: short stacking energy: -343.198 Base-Backbone interact. energy: -2.040 local terms energy: -374.096917 where: bonds (distance) C4'-P energy: -68.050 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -82.785 flat angles P-C4'-P energy: -49.824 tors. eta vs tors. theta energy: -101.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1157.693524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.693524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.693524 (E_RNA) where: Base-Base interactions energy: -801.199 where: short stacking energy: -326.657 Base-Backbone interact. energy: -1.419 local terms energy: -355.075755 where: bonds (distance) C4'-P energy: -74.086 bonds (distance) P-C4' energy: -64.634 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -100.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1064.448334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.448334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.448334 (E_RNA) where: Base-Base interactions energy: -723.367 where: short stacking energy: -303.590 Base-Backbone interact. energy: -1.585 local terms energy: -339.496180 where: bonds (distance) C4'-P energy: -62.604 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -72.967 flat angles P-C4'-P energy: -51.279 tors. eta vs tors. theta energy: -85.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1011.342587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.342587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.342587 (E_RNA) where: Base-Base interactions energy: -709.299 where: short stacking energy: -266.846 Base-Backbone interact. energy: -0.999 local terms energy: -301.044505 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -65.451 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -55.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -894.744817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.744817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.744817 (E_RNA) where: Base-Base interactions energy: -575.748 where: short stacking energy: -261.125 Base-Backbone interact. energy: -1.565 local terms energy: -317.432196 where: bonds (distance) C4'-P energy: -63.174 bonds (distance) P-C4' energy: -66.995 flat angles C4'-P-C4' energy: -70.903 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -70.759 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: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -694.359606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.359606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.359606 (E_RNA) where: Base-Base interactions energy: -421.179 where: short stacking energy: -191.726 Base-Backbone interact. energy: -1.493 local terms energy: -271.688234 where: bonds (distance) C4'-P energy: -55.354 bonds (distance) P-C4' energy: -67.557 flat angles C4'-P-C4' energy: -72.393 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -38.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -504.812730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.812730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.812730 (E_RNA) where: Base-Base interactions energy: -259.718 where: short stacking energy: -134.344 Base-Backbone interact. energy: -0.346 local terms energy: -244.748149 where: bonds (distance) C4'-P energy: -59.972 bonds (distance) P-C4' energy: -64.453 flat angles C4'-P-C4' energy: -60.180 flat angles P-C4'-P energy: -37.071 tors. eta vs tors. theta energy: -23.072 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: 314 Temperature: 1.300000 Total energy: -469.195702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.195702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.195702 (E_RNA) where: Base-Base interactions energy: -244.832 where: short stacking energy: -130.471 Base-Backbone interact. energy: 1.839 local terms energy: -226.202454 where: bonds (distance) C4'-P energy: -50.192 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -58.668 flat angles P-C4'-P energy: -31.140 tors. eta vs tors. theta energy: -20.849 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: 314 Temperature: 1.350000 Total energy: -296.016098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.016098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.016098 (E_RNA) where: Base-Base interactions energy: -118.676 where: short stacking energy: -96.766 Base-Backbone interact. energy: 2.003 local terms energy: -179.343066 where: bonds (distance) C4'-P energy: -34.549 bonds (distance) P-C4' energy: -71.589 flat angles C4'-P-C4' energy: -34.030 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: 1.834 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: 315 Temperature: 0.900000 Total energy: -1234.996974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.996974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.996974 (E_RNA) where: Base-Base interactions energy: -858.710 where: short stacking energy: -356.502 Base-Backbone interact. energy: 2.320 local terms energy: -378.606642 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -82.264 flat angles P-C4'-P energy: -57.847 tors. eta vs tors. theta energy: -103.923 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: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1182.879304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.879304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.879304 (E_RNA) where: Base-Base interactions energy: -807.515 where: short stacking energy: -359.011 Base-Backbone interact. energy: -1.359 local terms energy: -374.005567 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -81.062 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -109.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1114.164264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.164264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.164264 (E_RNA) where: Base-Base interactions energy: -754.872 where: short stacking energy: -311.944 Base-Backbone interact. energy: 0.796 local terms energy: -360.088425 where: bonds (distance) C4'-P energy: -67.229 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -51.334 tors. eta vs tors. theta energy: -102.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1069.257031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.257031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.257031 (E_RNA) where: Base-Base interactions energy: -734.741 where: short stacking energy: -265.984 Base-Backbone interact. energy: -2.334 local terms energy: -332.181927 where: bonds (distance) C4'-P energy: -67.683 bonds (distance) P-C4' energy: -69.265 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -63.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1044.260232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.260232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.260232 (E_RNA) where: Base-Base interactions energy: -725.038 where: short stacking energy: -304.598 Base-Backbone interact. energy: -0.927 local terms energy: -318.294445 where: bonds (distance) C4'-P energy: -56.357 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -71.171 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: -81.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -916.829377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.829377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.829377 (E_RNA) where: Base-Base interactions energy: -607.082 where: short stacking energy: -274.887 Base-Backbone interact. energy: -0.523 local terms energy: -309.224340 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -63.002 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -69.704 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: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -680.027797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.027797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.027797 (E_RNA) where: Base-Base interactions energy: -433.369 where: short stacking energy: -204.042 Base-Backbone interact. energy: -0.928 local terms energy: -245.729962 where: bonds (distance) C4'-P energy: -52.926 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -24.687 tors. eta vs tors. theta energy: -32.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -487.323823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.323823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.323823 (E_RNA) where: Base-Base interactions energy: -266.642 where: short stacking energy: -150.094 Base-Backbone interact. energy: -0.724 local terms energy: -219.957306 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -55.530 flat angles P-C4'-P energy: -30.209 tors. eta vs tors. theta energy: -13.816 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -459.089526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.089526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.089526 (E_RNA) where: Base-Base interactions energy: -245.517 where: short stacking energy: -125.395 Base-Backbone interact. energy: -0.601 local terms energy: -212.970812 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -56.031 flat angles P-C4'-P energy: -34.336 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -333.053701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.053701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.053701 (E_RNA) where: Base-Base interactions energy: -121.758 where: short stacking energy: -97.218 Base-Backbone interact. energy: -1.315 local terms energy: -209.980466 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -75.384 flat angles C4'-P-C4' energy: -52.321 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1230.788595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.788595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.788595 (E_RNA) where: Base-Base interactions energy: -844.538 where: short stacking energy: -363.610 Base-Backbone interact. energy: -1.655 local terms energy: -384.595236 where: bonds (distance) C4'-P energy: -71.077 bonds (distance) P-C4' energy: -73.304 flat angles C4'-P-C4' energy: -78.208 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -111.701 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: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1178.004936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.004936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.004936 (E_RNA) where: Base-Base interactions energy: -804.046 where: short stacking energy: -353.446 Base-Backbone interact. energy: -0.527 local terms energy: -373.432029 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -46.632 tors. eta vs tors. theta energy: -108.363 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: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1133.220385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.220385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.220385 (E_RNA) where: Base-Base interactions energy: -745.815 where: short stacking energy: -318.893 Base-Backbone interact. energy: -4.159 local terms energy: -383.246091 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -72.111 flat angles C4'-P-C4' energy: -87.666 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -106.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1074.851848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.851848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.851848 (E_RNA) where: Base-Base interactions energy: -767.239 where: short stacking energy: -313.676 Base-Backbone interact. energy: -0.401 local terms energy: -307.211641 where: bonds (distance) C4'-P energy: -69.121 bonds (distance) P-C4' energy: -58.486 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -41.204 tors. eta vs tors. theta energy: -72.271 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: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1015.643997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.643997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.643997 (E_RNA) where: Base-Base interactions energy: -698.643 where: short stacking energy: -287.117 Base-Backbone interact. energy: -1.464 local terms energy: -315.537278 where: bonds (distance) C4'-P energy: -67.094 bonds (distance) P-C4' energy: -62.311 flat angles C4'-P-C4' energy: -82.131 flat angles P-C4'-P energy: -21.054 tors. eta vs tors. theta energy: -82.947 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: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -880.936673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.936673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.936673 (E_RNA) where: Base-Base interactions energy: -570.918 where: short stacking energy: -261.524 Base-Backbone interact. energy: 0.530 local terms energy: -310.549172 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -63.854 flat angles C4'-P-C4' energy: -66.336 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -62.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -684.242219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.242219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.242219 (E_RNA) where: Base-Base interactions energy: -411.280 where: short stacking energy: -195.559 Base-Backbone interact. energy: -1.395 local terms energy: -271.567548 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -64.961 flat angles C4'-P-C4' energy: -67.751 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -29.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -492.705501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.705501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.705501 (E_RNA) where: Base-Base interactions energy: -266.998 where: short stacking energy: -144.738 Base-Backbone interact. energy: 1.080 local terms energy: -226.787723 where: bonds (distance) C4'-P energy: -53.699 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -67.857 flat angles P-C4'-P energy: -33.926 tors. eta vs tors. theta energy: -8.719 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: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -437.826926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.826926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.826926 (E_RNA) where: Base-Base interactions energy: -224.158 where: short stacking energy: -127.179 Base-Backbone interact. energy: -1.793 local terms energy: -211.875564 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -59.060 flat angles C4'-P-C4' energy: -52.915 flat angles P-C4'-P energy: -33.100 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -330.619222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.619222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.619222 (E_RNA) where: Base-Base interactions energy: -145.701 where: short stacking energy: -103.451 Base-Backbone interact. energy: 1.492 local terms energy: -186.410211 where: bonds (distance) C4'-P energy: -48.638 bonds (distance) P-C4' energy: -68.444 flat angles C4'-P-C4' energy: -43.325 flat angles P-C4'-P energy: -31.370 tors. eta vs tors. theta energy: 5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1235.121440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.121440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.121440 (E_RNA) where: Base-Base interactions energy: -845.611 where: short stacking energy: -352.365 Base-Backbone interact. energy: -2.738 local terms energy: -386.771926 where: bonds (distance) C4'-P energy: -68.182 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -81.519 flat angles P-C4'-P energy: -54.724 tors. eta vs tors. theta energy: -109.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1188.898304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.898304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.898304 (E_RNA) where: Base-Base interactions energy: -797.497 where: short stacking energy: -342.579 Base-Backbone interact. energy: -2.257 local terms energy: -389.144322 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -76.345 flat angles C4'-P-C4' energy: -86.067 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -109.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1130.299506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.299506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.299506 (E_RNA) where: Base-Base interactions energy: -775.190 where: short stacking energy: -312.171 Base-Backbone interact. energy: -1.739 local terms energy: -353.370769 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -104.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1100.680490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.680490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.680490 (E_RNA) where: Base-Base interactions energy: -775.938 where: short stacking energy: -287.117 Base-Backbone interact. energy: -0.300 local terms energy: -324.441558 where: bonds (distance) C4'-P energy: -52.970 bonds (distance) P-C4' energy: -72.748 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -77.587 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: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -998.100442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.100442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.100442 (E_RNA) where: Base-Base interactions energy: -683.841 where: short stacking energy: -293.532 Base-Backbone interact. energy: -0.372 local terms energy: -313.888086 where: bonds (distance) C4'-P energy: -60.116 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -71.400 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: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -874.270666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.270666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.270666 (E_RNA) where: Base-Base interactions energy: -589.064 where: short stacking energy: -242.236 Base-Backbone interact. energy: -0.069 local terms energy: -285.137721 where: bonds (distance) C4'-P energy: -59.986 bonds (distance) P-C4' energy: -71.086 flat angles C4'-P-C4' energy: -56.123 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -50.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -686.653724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.653724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.653724 (E_RNA) where: Base-Base interactions energy: -432.433 where: short stacking energy: -176.730 Base-Backbone interact. energy: -0.531 local terms energy: -253.689796 where: bonds (distance) C4'-P energy: -57.349 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -51.380 flat angles P-C4'-P energy: -40.698 tors. eta vs tors. theta energy: -41.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -502.823793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.823793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.823793 (E_RNA) where: Base-Base interactions energy: -278.006 where: short stacking energy: -133.407 Base-Backbone interact. energy: 1.521 local terms energy: -226.339325 where: bonds (distance) C4'-P energy: -56.980 bonds (distance) P-C4' energy: -65.125 flat angles C4'-P-C4' energy: -51.201 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -9.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -456.360079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.360079 (E_RNA) where: Base-Base interactions energy: -232.931 where: short stacking energy: -134.144 Base-Backbone interact. energy: 0.199 local terms energy: -223.628065 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -56.924 flat angles C4'-P-C4' energy: -53.414 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: -11.343 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -337.141107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.141107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.141107 (E_RNA) where: Base-Base interactions energy: -131.475 where: short stacking energy: -78.597 Base-Backbone interact. energy: 2.499 local terms energy: -208.164300 where: bonds (distance) C4'-P energy: -65.995 bonds (distance) P-C4' energy: -62.659 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -41.869 tors. eta vs tors. theta energy: 15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1188.157281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.157281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.157281 (E_RNA) where: Base-Base interactions energy: -808.094 where: short stacking energy: -351.790 Base-Backbone interact. energy: 0.203 local terms energy: -380.266503 where: bonds (distance) C4'-P energy: -73.006 bonds (distance) P-C4' energy: -69.979 flat angles C4'-P-C4' energy: -86.461 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -101.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1221.152845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.152845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.152845 (E_RNA) where: Base-Base interactions energy: -840.874 where: short stacking energy: -362.545 Base-Backbone interact. energy: -3.632 local terms energy: -376.646926 where: bonds (distance) C4'-P energy: -76.119 bonds (distance) P-C4' energy: -75.939 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -43.575 tors. eta vs tors. theta energy: -107.501 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: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1141.336146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.336146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.336146 (E_RNA) where: Base-Base interactions energy: -764.965 where: short stacking energy: -308.772 Base-Backbone interact. energy: -3.377 local terms energy: -372.994311 where: bonds (distance) C4'-P energy: -73.050 bonds (distance) P-C4' energy: -60.541 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -100.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1099.640132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.640132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.640132 (E_RNA) where: Base-Base interactions energy: -758.469 where: short stacking energy: -295.716 Base-Backbone interact. energy: 1.696 local terms energy: -342.866286 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -71.239 flat angles C4'-P-C4' energy: -78.974 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -80.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -998.586011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.586011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.586011 (E_RNA) where: Base-Base interactions energy: -674.445 where: short stacking energy: -271.858 Base-Backbone interact. energy: -1.040 local terms energy: -323.100497 where: bonds (distance) C4'-P energy: -48.688 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -77.598 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -75.955 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: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -882.398256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.398256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.398256 (E_RNA) where: Base-Base interactions energy: -569.026 where: short stacking energy: -247.325 Base-Backbone interact. energy: 0.657 local terms energy: -314.028970 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -80.187 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: -66.555 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: 318 Temperature: 1.200000 Total energy: -684.574512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.574512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.574512 (E_RNA) where: Base-Base interactions energy: -445.722 where: short stacking energy: -216.131 Base-Backbone interact. energy: -1.709 local terms energy: -237.143167 where: bonds (distance) C4'-P energy: -33.282 bonds (distance) P-C4' energy: -53.584 flat angles C4'-P-C4' energy: -63.203 flat angles P-C4'-P energy: -48.307 tors. eta vs tors. theta energy: -38.767 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: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -536.714227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.714227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.714227 (E_RNA) where: Base-Base interactions energy: -293.402 where: short stacking energy: -171.939 Base-Backbone interact. energy: -0.193 local terms energy: -243.119086 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -57.791 flat angles C4'-P-C4' energy: -49.967 flat angles P-C4'-P energy: -37.817 tors. eta vs tors. theta energy: -34.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -471.443107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.443107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.443107 (E_RNA) where: Base-Base interactions energy: -268.316 where: short stacking energy: -144.719 Base-Backbone interact. energy: 2.028 local terms energy: -205.154632 where: bonds (distance) C4'-P energy: -52.066 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -49.965 flat angles P-C4'-P energy: -33.236 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -291.775921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.775921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.775921 (E_RNA) where: Base-Base interactions energy: -96.993 where: short stacking energy: -41.557 Base-Backbone interact. energy: -4.092 local terms energy: -190.690894 where: bonds (distance) C4'-P energy: -62.101 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -59.441 flat angles P-C4'-P energy: -30.695 tors. eta vs tors. theta energy: 21.041 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: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1199.438237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.438237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.438237 (E_RNA) where: Base-Base interactions energy: -814.576 where: short stacking energy: -364.657 Base-Backbone interact. energy: -1.621 local terms energy: -383.241566 where: bonds (distance) C4'-P energy: -68.589 bonds (distance) P-C4' energy: -73.228 flat angles C4'-P-C4' energy: -82.247 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -103.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1233.627282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.627282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.627282 (E_RNA) where: Base-Base interactions energy: -848.443 where: short stacking energy: -364.059 Base-Backbone interact. energy: -2.069 local terms energy: -383.114942 where: bonds (distance) C4'-P energy: -69.090 bonds (distance) P-C4' energy: -74.577 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: -109.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1145.867142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.867142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.867142 (E_RNA) where: Base-Base interactions energy: -783.041 where: short stacking energy: -326.465 Base-Backbone interact. energy: -0.213 local terms energy: -362.613066 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -74.213 flat angles C4'-P-C4' energy: -73.576 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -93.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1083.151526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.151526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.151526 (E_RNA) where: Base-Base interactions energy: -752.994 where: short stacking energy: -277.082 Base-Backbone interact. energy: -0.860 local terms energy: -329.297377 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -75.812 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -68.590 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: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1009.059427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.059427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.059427 (E_RNA) where: Base-Base interactions energy: -684.309 where: short stacking energy: -283.425 Base-Backbone interact. energy: 0.326 local terms energy: -325.076544 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -81.045 flat angles P-C4'-P energy: -40.298 tors. eta vs tors. theta energy: -73.831 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: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -894.172058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.172058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.172058 (E_RNA) where: Base-Base interactions energy: -606.545 where: short stacking energy: -269.198 Base-Backbone interact. energy: 0.236 local terms energy: -287.863233 where: bonds (distance) C4'-P energy: -51.001 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -65.808 flat angles P-C4'-P energy: -48.772 tors. eta vs tors. theta energy: -66.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -709.045049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.045049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.045049 (E_RNA) where: Base-Base interactions energy: -422.337 where: short stacking energy: -175.302 Base-Backbone interact. energy: -2.641 local terms energy: -284.067050 where: bonds (distance) C4'-P energy: -71.087 bonds (distance) P-C4' energy: -72.571 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -42.365 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: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -490.881090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.881090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.881090 (E_RNA) where: Base-Base interactions energy: -264.420 where: short stacking energy: -148.718 Base-Backbone interact. energy: 3.590 local terms energy: -230.051068 where: bonds (distance) C4'-P energy: -45.950 bonds (distance) P-C4' energy: -68.127 flat angles C4'-P-C4' energy: -60.944 flat angles P-C4'-P energy: -30.994 tors. eta vs tors. theta energy: -24.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -498.734405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.734405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.734405 (E_RNA) where: Base-Base interactions energy: -284.529 where: short stacking energy: -145.322 Base-Backbone interact. energy: 0.721 local terms energy: -214.927022 where: bonds (distance) C4'-P energy: -52.645 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -62.801 flat angles P-C4'-P energy: -23.271 tors. eta vs tors. theta energy: -13.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -285.011492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.011492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.011492 (E_RNA) where: Base-Base interactions energy: -119.371 where: short stacking energy: -88.232 Base-Backbone interact. energy: -1.516 local terms energy: -164.124306 where: bonds (distance) C4'-P energy: -68.947 bonds (distance) P-C4' energy: -41.281 flat angles C4'-P-C4' energy: -43.817 flat angles P-C4'-P energy: -14.523 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: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1257.979858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.979858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.979858 (E_RNA) where: Base-Base interactions energy: -846.088 where: short stacking energy: -372.608 Base-Backbone interact. energy: 0.397 local terms energy: -412.289166 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -87.462 flat angles P-C4'-P energy: -58.414 tors. eta vs tors. theta energy: -112.211 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: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1163.473745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.473745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.473745 (E_RNA) where: Base-Base interactions energy: -792.861 where: short stacking energy: -357.762 Base-Backbone interact. energy: 1.042 local terms energy: -371.654647 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -63.861 flat angles C4'-P-C4' energy: -79.732 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -110.334 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: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1113.084608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.084608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.084608 (E_RNA) where: Base-Base interactions energy: -763.628 where: short stacking energy: -320.001 Base-Backbone interact. energy: -0.655 local terms energy: -348.801721 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -68.300 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -89.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1075.665905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.665905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.665905 (E_RNA) where: Base-Base interactions energy: -725.504 where: short stacking energy: -292.302 Base-Backbone interact. energy: -1.545 local terms energy: -348.616914 where: bonds (distance) C4'-P energy: -70.400 bonds (distance) P-C4' energy: -70.304 flat angles C4'-P-C4' energy: -85.165 flat angles P-C4'-P energy: -45.375 tors. eta vs tors. theta energy: -77.373 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: 320 Temperature: 1.100000 Total energy: -992.634885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.634885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.634885 (E_RNA) where: Base-Base interactions energy: -664.730 where: short stacking energy: -274.450 Base-Backbone interact. energy: -1.985 local terms energy: -325.920061 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -72.823 flat angles C4'-P-C4' energy: -67.292 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -74.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -906.462477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.462477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.462477 (E_RNA) where: Base-Base interactions energy: -603.842 where: short stacking energy: -269.313 Base-Backbone interact. energy: -1.301 local terms energy: -301.319859 where: bonds (distance) C4'-P energy: -66.417 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -64.633 flat angles P-C4'-P energy: -32.901 tors. eta vs tors. theta energy: -72.712 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: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -739.085773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.085773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.085773 (E_RNA) where: Base-Base interactions energy: -470.103 where: short stacking energy: -206.704 Base-Backbone interact. energy: 0.846 local terms energy: -269.828627 where: bonds (distance) C4'-P energy: -54.616 bonds (distance) P-C4' energy: -62.170 flat angles C4'-P-C4' energy: -68.261 flat angles P-C4'-P energy: -34.682 tors. eta vs tors. theta energy: -50.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -540.751517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.751517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.751517 (E_RNA) where: Base-Base interactions energy: -291.881 where: short stacking energy: -143.157 Base-Backbone interact. energy: -3.478 local terms energy: -245.392177 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -64.287 flat angles C4'-P-C4' energy: -67.223 flat angles P-C4'-P energy: -24.511 tors. eta vs tors. theta energy: -34.469 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: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -479.771464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.771464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.771464 (E_RNA) where: Base-Base interactions energy: -256.402 where: short stacking energy: -128.582 Base-Backbone interact. energy: 3.632 local terms energy: -227.002029 where: bonds (distance) C4'-P energy: -50.274 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -53.454 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -14.323 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: 320 Temperature: 1.350000 Total energy: -282.508092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.508092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.508092 (E_RNA) where: Base-Base interactions energy: -99.320 where: short stacking energy: -76.065 Base-Backbone interact. energy: -1.479 local terms energy: -181.709418 where: bonds (distance) C4'-P energy: -61.567 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -50.234 flat angles P-C4'-P energy: -33.153 tors. eta vs tors. theta energy: 20.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1257.245050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.245050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.245050 (E_RNA) where: Base-Base interactions energy: -861.283 where: short stacking energy: -352.431 Base-Backbone interact. energy: 0.937 local terms energy: -396.899027 where: bonds (distance) C4'-P energy: -74.337 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -85.077 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -108.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1158.949565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.949565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.949565 (E_RNA) where: Base-Base interactions energy: -775.890 where: short stacking energy: -348.363 Base-Backbone interact. energy: -1.188 local terms energy: -381.871128 where: bonds (distance) C4'-P energy: -79.829 bonds (distance) P-C4' energy: -61.679 flat angles C4'-P-C4' energy: -77.071 flat angles P-C4'-P energy: -55.825 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: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1147.213083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.213083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.213083 (E_RNA) where: Base-Base interactions energy: -784.644 where: short stacking energy: -341.068 Base-Backbone interact. energy: 0.601 local terms energy: -363.170853 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -55.510 flat angles C4'-P-C4' energy: -81.581 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -102.742 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: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1088.562209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.562209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.562209 (E_RNA) where: Base-Base interactions energy: -757.452 where: short stacking energy: -293.985 Base-Backbone interact. energy: -1.689 local terms energy: -329.421548 where: bonds (distance) C4'-P energy: -59.217 bonds (distance) P-C4' energy: -65.975 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: -82.648 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: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1002.894841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.894841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.894841 (E_RNA) where: Base-Base interactions energy: -672.572 where: short stacking energy: -273.471 Base-Backbone interact. energy: -2.448 local terms energy: -327.874826 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -74.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -851.081518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.081518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.081518 (E_RNA) where: Base-Base interactions energy: -553.933 where: short stacking energy: -229.409 Base-Backbone interact. energy: -0.748 local terms energy: -296.400602 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -81.282 flat angles P-C4'-P energy: -38.717 tors. eta vs tors. theta energy: -55.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -693.580431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.580431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.580431 (E_RNA) where: Base-Base interactions energy: -420.783 where: short stacking energy: -178.386 Base-Backbone interact. energy: -0.787 local terms energy: -272.010817 where: bonds (distance) C4'-P energy: -68.106 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -58.490 flat angles P-C4'-P energy: -35.952 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: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -563.815648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.815648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.815648 (E_RNA) where: Base-Base interactions energy: -317.088 where: short stacking energy: -164.823 Base-Backbone interact. energy: 2.132 local terms energy: -248.860251 where: bonds (distance) C4'-P energy: -50.607 bonds (distance) P-C4' energy: -71.886 flat angles C4'-P-C4' energy: -51.459 flat angles P-C4'-P energy: -45.867 tors. eta vs tors. theta energy: -29.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -457.982053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.982053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.982053 (E_RNA) where: Base-Base interactions energy: -238.442 where: short stacking energy: -131.204 Base-Backbone interact. energy: -0.964 local terms energy: -218.576052 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -54.833 flat angles C4'-P-C4' energy: -62.615 flat angles P-C4'-P energy: -30.340 tors. eta vs tors. theta energy: -14.143 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -277.600121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.600121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.600121 (E_RNA) where: Base-Base interactions energy: -95.626 where: short stacking energy: -77.508 Base-Backbone interact. energy: -0.607 local terms energy: -181.367970 where: bonds (distance) C4'-P energy: -61.153 bonds (distance) P-C4' energy: -62.869 flat angles C4'-P-C4' energy: -44.760 flat angles P-C4'-P energy: -22.036 tors. eta vs tors. theta energy: 9.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1256.415959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.415959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.415959 (E_RNA) where: Base-Base interactions energy: -853.870 where: short stacking energy: -364.141 Base-Backbone interact. energy: -0.620 local terms energy: -401.925948 where: bonds (distance) C4'-P energy: -75.600 bonds (distance) P-C4' energy: -75.733 flat angles C4'-P-C4' energy: -79.908 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -116.303 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: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1168.466387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.466387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.466387 (E_RNA) where: Base-Base interactions energy: -788.716 where: short stacking energy: -338.984 Base-Backbone interact. energy: -1.502 local terms energy: -378.248861 where: bonds (distance) C4'-P energy: -80.375 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -74.426 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -96.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1122.804997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.804997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.804997 (E_RNA) where: Base-Base interactions energy: -760.431 where: short stacking energy: -317.404 Base-Backbone interact. energy: -1.163 local terms energy: -361.210569 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -79.677 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -95.329 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: 322 Temperature: 1.050000 Total energy: -1091.772843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.772843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.772843 (E_RNA) where: Base-Base interactions energy: -758.899 where: short stacking energy: -295.433 Base-Backbone interact. energy: -2.057 local terms energy: -330.816840 where: bonds (distance) C4'-P energy: -61.002 bonds (distance) P-C4' energy: -64.960 flat angles C4'-P-C4' energy: -76.483 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -75.910 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: 322 Temperature: 1.100000 Total energy: -1010.986829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.986829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.986829 (E_RNA) where: Base-Base interactions energy: -693.448 where: short stacking energy: -290.580 Base-Backbone interact. energy: -0.030 local terms energy: -317.508368 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -71.812 flat angles C4'-P-C4' energy: -68.094 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -77.563 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: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -895.610222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.610222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.610222 (E_RNA) where: Base-Base interactions energy: -589.642 where: short stacking energy: -254.120 Base-Backbone interact. energy: -0.704 local terms energy: -305.264273 where: bonds (distance) C4'-P energy: -51.176 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -73.691 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -62.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -768.189105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.189105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.189105 (E_RNA) where: Base-Base interactions energy: -467.402 where: short stacking energy: -203.327 Base-Backbone interact. energy: -2.589 local terms energy: -298.197908 where: bonds (distance) C4'-P energy: -65.346 bonds (distance) P-C4' energy: -69.742 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -45.603 tors. eta vs tors. theta energy: -52.647 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: 322 Temperature: 1.250000 Total energy: -575.123610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.123610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.123610 (E_RNA) where: Base-Base interactions energy: -339.053 where: short stacking energy: -161.493 Base-Backbone interact. energy: -1.755 local terms energy: -234.315922 where: bonds (distance) C4'-P energy: -57.351 bonds (distance) P-C4' energy: -60.875 flat angles C4'-P-C4' energy: -49.794 flat angles P-C4'-P energy: -33.771 tors. eta vs tors. theta energy: -32.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -458.154231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.154231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.154231 (E_RNA) where: Base-Base interactions energy: -225.212 where: short stacking energy: -116.139 Base-Backbone interact. energy: -3.325 local terms energy: -229.617675 where: bonds (distance) C4'-P energy: -69.933 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -42.635 flat angles P-C4'-P energy: -45.955 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -314.515808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.515808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.515808 (E_RNA) where: Base-Base interactions energy: -109.239 where: short stacking energy: -102.401 Base-Backbone interact. energy: 2.181 local terms energy: -207.458086 where: bonds (distance) C4'-P energy: -53.131 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -46.474 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: -11.434 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: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1238.752335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.752335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.752335 (E_RNA) where: Base-Base interactions energy: -839.303 where: short stacking energy: -361.268 Base-Backbone interact. energy: -2.983 local terms energy: -396.466410 where: bonds (distance) C4'-P energy: -75.610 bonds (distance) P-C4' energy: -81.741 flat angles C4'-P-C4' energy: -76.420 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: -111.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1160.154059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.154059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.154059 (E_RNA) where: Base-Base interactions energy: -783.375 where: short stacking energy: -347.363 Base-Backbone interact. energy: -0.960 local terms energy: -375.818887 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -75.608 flat angles P-C4'-P energy: -55.723 tors. eta vs tors. theta energy: -116.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1120.915106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.915106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.915106 (E_RNA) where: Base-Base interactions energy: -766.982 where: short stacking energy: -311.141 Base-Backbone interact. energy: -0.004 local terms energy: -353.929582 where: bonds (distance) C4'-P energy: -75.090 bonds (distance) P-C4' energy: -70.919 flat angles C4'-P-C4' energy: -67.855 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -90.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1085.828506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.828506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.828506 (E_RNA) where: Base-Base interactions energy: -737.704 where: short stacking energy: -280.550 Base-Backbone interact. energy: -1.184 local terms energy: -346.940538 where: bonds (distance) C4'-P energy: -65.322 bonds (distance) P-C4' energy: -78.075 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -78.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1026.460645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.460645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.460645 (E_RNA) where: Base-Base interactions energy: -701.558 where: short stacking energy: -270.315 Base-Backbone interact. energy: -1.562 local terms energy: -323.340933 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -63.633 flat angles C4'-P-C4' energy: -75.772 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -79.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -902.675915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.675915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.675915 (E_RNA) where: Base-Base interactions energy: -600.999 where: short stacking energy: -266.883 Base-Backbone interact. energy: -1.226 local terms energy: -300.450884 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -64.732 flat angles P-C4'-P energy: -37.702 tors. eta vs tors. theta energy: -70.528 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: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -781.120564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.120564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.120564 (E_RNA) where: Base-Base interactions energy: -488.092 where: short stacking energy: -223.675 Base-Backbone interact. energy: -0.664 local terms energy: -292.364705 where: bonds (distance) C4'-P energy: -61.382 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -70.164 flat angles P-C4'-P energy: -31.895 tors. eta vs tors. theta energy: -61.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -546.168907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.168907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.168907 (E_RNA) where: Base-Base interactions energy: -320.336 where: short stacking energy: -145.469 Base-Backbone interact. energy: 5.961 local terms energy: -231.793998 where: bonds (distance) C4'-P energy: -54.438 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -58.944 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -474.644676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.644676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.644676 (E_RNA) where: Base-Base interactions energy: -246.205 where: short stacking energy: -122.326 Base-Backbone interact. energy: -1.131 local terms energy: -227.308482 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -64.827 flat angles C4'-P-C4' energy: -51.148 flat angles P-C4'-P energy: -35.638 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -300.785855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.785855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.785855 (E_RNA) where: Base-Base interactions energy: -102.030 where: short stacking energy: -92.390 Base-Backbone interact. energy: 3.450 local terms energy: -202.205823 where: bonds (distance) C4'-P energy: -61.695 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -45.053 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1233.794904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.794904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.794904 (E_RNA) where: Base-Base interactions energy: -852.357 where: short stacking energy: -370.891 Base-Backbone interact. energy: 0.470 local terms energy: -381.907477 where: bonds (distance) C4'-P energy: -66.621 bonds (distance) P-C4' energy: -72.646 flat angles C4'-P-C4' energy: -79.828 flat angles P-C4'-P energy: -52.564 tors. eta vs tors. theta energy: -110.249 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: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1166.037908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.037908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.037908 (E_RNA) where: Base-Base interactions energy: -778.672 where: short stacking energy: -333.831 Base-Backbone interact. energy: -2.117 local terms energy: -385.249125 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -78.884 flat angles C4'-P-C4' energy: -83.493 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -102.630 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: 324 Temperature: 1.000000 Total energy: -1110.745398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.745398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.745398 (E_RNA) where: Base-Base interactions energy: -799.497 where: short stacking energy: -320.411 Base-Backbone interact. energy: -3.519 local terms energy: -307.728586 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -69.611 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -83.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1052.997505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.997505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.997505 (E_RNA) where: Base-Base interactions energy: -742.541 where: short stacking energy: -280.847 Base-Backbone interact. energy: -0.391 local terms energy: -310.065322 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -69.107 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -39.789 tors. eta vs tors. theta energy: -67.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1045.658498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.658498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.658498 (E_RNA) where: Base-Base interactions energy: -689.634 where: short stacking energy: -285.942 Base-Backbone interact. energy: 0.892 local terms energy: -356.916558 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -72.277 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -84.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -879.699734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.699734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.699734 (E_RNA) where: Base-Base interactions energy: -587.430 where: short stacking energy: -244.045 Base-Backbone interact. energy: -2.025 local terms energy: -290.245587 where: bonds (distance) C4'-P energy: -54.365 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -73.129 flat angles P-C4'-P energy: -31.075 tors. eta vs tors. theta energy: -57.332 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: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -762.428561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.428561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.428561 (E_RNA) where: Base-Base interactions energy: -483.325 where: short stacking energy: -215.946 Base-Backbone interact. energy: -1.069 local terms energy: -278.034685 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -58.964 flat angles C4'-P-C4' energy: -71.374 flat angles P-C4'-P energy: -38.129 tors. eta vs tors. theta energy: -49.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -580.668206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.668206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.668206 (E_RNA) where: Base-Base interactions energy: -323.947 where: short stacking energy: -157.369 Base-Backbone interact. energy: -0.242 local terms energy: -256.479086 where: bonds (distance) C4'-P energy: -64.622 bonds (distance) P-C4' energy: -68.011 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -32.707 tors. eta vs tors. theta energy: -23.449 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: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -487.787437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.787437 (E_RNA) where: Base-Base interactions energy: -275.811 where: short stacking energy: -117.049 Base-Backbone interact. energy: 2.203 local terms energy: -214.179737 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -56.744 flat angles C4'-P-C4' energy: -52.507 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -11.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -278.355108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.355108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.355108 (E_RNA) where: Base-Base interactions energy: -104.063 where: short stacking energy: -66.215 Base-Backbone interact. energy: -4.292 local terms energy: -170.000710 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -52.298 flat angles C4'-P-C4' energy: -40.088 flat angles P-C4'-P energy: -33.756 tors. eta vs tors. theta energy: 9.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1239.914190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.914190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.914190 (E_RNA) where: Base-Base interactions energy: -855.595 where: short stacking energy: -366.910 Base-Backbone interact. energy: -1.661 local terms energy: -382.657887 where: bonds (distance) C4'-P energy: -66.069 bonds (distance) P-C4' energy: -72.924 flat angles C4'-P-C4' energy: -86.534 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -107.326 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1148.410000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.410000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.410000 (E_RNA) where: Base-Base interactions energy: -782.965 where: short stacking energy: -326.567 Base-Backbone interact. energy: -4.041 local terms energy: -361.404535 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -52.942 tors. eta vs tors. theta energy: -93.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1127.939878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.939878 (E_RNA) where: Base-Base interactions energy: -760.377 where: short stacking energy: -318.335 Base-Backbone interact. energy: -2.934 local terms energy: -364.628239 where: bonds (distance) C4'-P energy: -72.600 bonds (distance) P-C4' energy: -82.913 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -94.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1050.106893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.106893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.106893 (E_RNA) where: Base-Base interactions energy: -720.389 where: short stacking energy: -271.023 Base-Backbone interact. energy: 0.472 local terms energy: -330.189900 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -48.002 tors. eta vs tors. theta energy: -79.656 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: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -994.054150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.054150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.054150 (E_RNA) where: Base-Base interactions energy: -668.093 where: short stacking energy: -292.081 Base-Backbone interact. energy: -1.971 local terms energy: -323.989803 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -67.787 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -43.429 tors. eta vs tors. theta energy: -77.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -944.934247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.934247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.934247 (E_RNA) where: Base-Base interactions energy: -621.292 where: short stacking energy: -284.370 Base-Backbone interact. energy: 2.742 local terms energy: -326.384283 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -81.792 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: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -716.667176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.667176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.667176 (E_RNA) where: Base-Base interactions energy: -422.572 where: short stacking energy: -208.491 Base-Backbone interact. energy: -1.201 local terms energy: -292.894149 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -74.586 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -35.039 tors. eta vs tors. theta energy: -52.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -536.650428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.650428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.650428 (E_RNA) where: Base-Base interactions energy: -300.693 where: short stacking energy: -159.954 Base-Backbone interact. energy: 1.666 local terms energy: -237.623608 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -60.219 flat angles P-C4'-P energy: -32.595 tors. eta vs tors. theta energy: -17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -477.063325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.063325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.063325 (E_RNA) where: Base-Base interactions energy: -256.895 where: short stacking energy: -138.001 Base-Backbone interact. energy: -0.630 local terms energy: -219.538136 where: bonds (distance) C4'-P energy: -51.658 bonds (distance) P-C4' energy: -71.741 flat angles C4'-P-C4' energy: -56.922 flat angles P-C4'-P energy: -33.158 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -306.628415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.628415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.628415 (E_RNA) where: Base-Base interactions energy: -119.835 where: short stacking energy: -94.146 Base-Backbone interact. energy: 2.383 local terms energy: -189.176756 where: bonds (distance) C4'-P energy: -44.898 bonds (distance) P-C4' energy: -73.099 flat angles C4'-P-C4' energy: -51.772 flat angles P-C4'-P energy: -21.134 tors. eta vs tors. theta energy: 1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1232.875671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.875671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.875671 (E_RNA) where: Base-Base interactions energy: -852.863 where: short stacking energy: -371.686 Base-Backbone interact. energy: -1.146 local terms energy: -378.867349 where: bonds (distance) C4'-P energy: -77.094 bonds (distance) P-C4' energy: -55.695 flat angles C4'-P-C4' energy: -81.029 flat angles P-C4'-P energy: -58.737 tors. eta vs tors. theta energy: -106.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1132.130463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.130463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.130463 (E_RNA) where: Base-Base interactions energy: -750.278 where: short stacking energy: -309.718 Base-Backbone interact. energy: -0.967 local terms energy: -380.885488 where: bonds (distance) C4'-P energy: -83.410 bonds (distance) P-C4' energy: -72.493 flat angles C4'-P-C4' energy: -74.435 flat angles P-C4'-P energy: -59.639 tors. eta vs tors. theta energy: -90.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1174.244302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.244302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.244302 (E_RNA) where: Base-Base interactions energy: -796.463 where: short stacking energy: -339.788 Base-Backbone interact. energy: -3.707 local terms energy: -374.074544 where: bonds (distance) C4'-P energy: -67.672 bonds (distance) P-C4' energy: -80.303 flat angles C4'-P-C4' energy: -76.770 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -99.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1041.413092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.413092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.413092 (E_RNA) where: Base-Base interactions energy: -707.468 where: short stacking energy: -291.067 Base-Backbone interact. energy: -0.733 local terms energy: -333.211930 where: bonds (distance) C4'-P energy: -66.540 bonds (distance) P-C4' energy: -62.897 flat angles C4'-P-C4' energy: -72.675 flat angles P-C4'-P energy: -53.569 tors. eta vs tors. theta energy: -77.531 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: 326 Temperature: 1.100000 Total energy: -992.289035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.289035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.289035 (E_RNA) where: Base-Base interactions energy: -681.613 where: short stacking energy: -281.682 Base-Backbone interact. energy: 1.784 local terms energy: -312.460064 where: bonds (distance) C4'-P energy: -67.592 bonds (distance) P-C4' energy: -57.360 flat angles C4'-P-C4' energy: -69.945 flat angles P-C4'-P energy: -44.087 tors. eta vs tors. theta energy: -73.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -876.250860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.250860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.250860 (E_RNA) where: Base-Base interactions energy: -580.622 where: short stacking energy: -252.670 Base-Backbone interact. energy: 2.040 local terms energy: -297.668912 where: bonds (distance) C4'-P energy: -59.092 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -65.824 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -56.174 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: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -756.253043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.253043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.253043 (E_RNA) where: Base-Base interactions energy: -490.479 where: short stacking energy: -221.684 Base-Backbone interact. energy: 0.738 local terms energy: -266.511979 where: bonds (distance) C4'-P energy: -50.376 bonds (distance) P-C4' energy: -54.108 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -57.955 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -500.588345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.588345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.588345 (E_RNA) where: Base-Base interactions energy: -271.915 where: short stacking energy: -147.062 Base-Backbone interact. energy: -0.784 local terms energy: -227.889400 where: bonds (distance) C4'-P energy: -52.510 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -55.084 flat angles P-C4'-P energy: -31.200 tors. eta vs tors. theta energy: -22.658 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: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -468.062982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.062982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.062982 (E_RNA) where: Base-Base interactions energy: -269.957 where: short stacking energy: -134.394 Base-Backbone interact. energy: -1.270 local terms energy: -196.836191 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -50.935 flat angles C4'-P-C4' energy: -44.192 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -309.952856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.952856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.952856 (E_RNA) where: Base-Base interactions energy: -111.864 where: short stacking energy: -82.416 Base-Backbone interact. energy: 0.496 local terms energy: -198.585357 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -58.702 flat angles C4'-P-C4' energy: -46.906 flat angles P-C4'-P energy: -36.046 tors. eta vs tors. theta energy: 10.109 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: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1236.448253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.448253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.448253 (E_RNA) where: Base-Base interactions energy: -853.550 where: short stacking energy: -345.250 Base-Backbone interact. energy: -1.971 local terms energy: -380.926898 where: bonds (distance) C4'-P energy: -73.186 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -71.899 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -112.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1182.323785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.323785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.323785 (E_RNA) where: Base-Base interactions energy: -803.505 where: short stacking energy: -343.540 Base-Backbone interact. energy: -0.723 local terms energy: -378.095562 where: bonds (distance) C4'-P energy: -72.587 bonds (distance) P-C4' energy: -63.850 flat angles C4'-P-C4' energy: -82.197 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -107.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1112.094151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.094151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.094151 (E_RNA) where: Base-Base interactions energy: -748.621 where: short stacking energy: -303.875 Base-Backbone interact. energy: 0.296 local terms energy: -363.769653 where: bonds (distance) C4'-P energy: -76.638 bonds (distance) P-C4' energy: -73.268 flat angles C4'-P-C4' energy: -75.247 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -92.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1061.087046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.087046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.087046 (E_RNA) where: Base-Base interactions energy: -730.199 where: short stacking energy: -274.776 Base-Backbone interact. energy: 1.184 local terms energy: -332.071460 where: bonds (distance) C4'-P energy: -64.648 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -81.877 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -75.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -998.842372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.842372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.842372 (E_RNA) where: Base-Base interactions energy: -671.138 where: short stacking energy: -266.227 Base-Backbone interact. energy: -0.326 local terms energy: -327.378402 where: bonds (distance) C4'-P energy: -68.540 bonds (distance) P-C4' energy: -68.842 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -47.685 tors. eta vs tors. theta energy: -72.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -900.398520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.398520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.398520 (E_RNA) where: Base-Base interactions energy: -603.830 where: short stacking energy: -272.834 Base-Backbone interact. energy: 6.260 local terms energy: -302.828306 where: bonds (distance) C4'-P energy: -62.566 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -73.672 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -72.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -747.276948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.276948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.276948 (E_RNA) where: Base-Base interactions energy: -502.978 where: short stacking energy: -214.582 Base-Backbone interact. energy: 8.664 local terms energy: -252.963325 where: bonds (distance) C4'-P energy: -75.064 bonds (distance) P-C4' energy: -54.215 flat angles C4'-P-C4' energy: -57.204 flat angles P-C4'-P energy: -24.530 tors. eta vs tors. theta energy: -41.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -521.661160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.661160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.661160 (E_RNA) where: Base-Base interactions energy: -281.342 where: short stacking energy: -146.107 Base-Backbone interact. energy: -1.901 local terms energy: -238.417770 where: bonds (distance) C4'-P energy: -55.742 bonds (distance) P-C4' energy: -54.155 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -42.922 tors. eta vs tors. theta energy: -20.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -484.495998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.495998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.495998 (E_RNA) where: Base-Base interactions energy: -294.108 where: short stacking energy: -150.262 Base-Backbone interact. energy: -0.344 local terms energy: -190.043993 where: bonds (distance) C4'-P energy: -48.199 bonds (distance) P-C4' energy: -60.634 flat angles C4'-P-C4' energy: -45.022 flat angles P-C4'-P energy: -29.356 tors. eta vs tors. theta energy: -6.833 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: 327 Temperature: 1.350000 Total energy: -304.201797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.201797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.201797 (E_RNA) where: Base-Base interactions energy: -109.321 where: short stacking energy: -92.304 Base-Backbone interact. energy: 2.987 local terms energy: -197.867922 where: bonds (distance) C4'-P energy: -41.532 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -45.206 flat angles P-C4'-P energy: -30.374 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1189.174195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.174195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.174195 (E_RNA) where: Base-Base interactions energy: -817.758 where: short stacking energy: -350.205 Base-Backbone interact. energy: 0.071 local terms energy: -371.487423 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -72.505 flat angles C4'-P-C4' energy: -78.174 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -102.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1210.517936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.517936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.517936 (E_RNA) where: Base-Base interactions energy: -850.023 where: short stacking energy: -350.171 Base-Backbone interact. energy: -2.026 local terms energy: -358.468512 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -80.797 flat angles P-C4'-P energy: -37.536 tors. eta vs tors. theta energy: -104.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1103.674526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.674526 (E_RNA) where: Base-Base interactions energy: -770.432 where: short stacking energy: -295.624 Base-Backbone interact. energy: -3.007 local terms energy: -330.235734 where: bonds (distance) C4'-P energy: -68.914 bonds (distance) P-C4' energy: -66.341 flat angles C4'-P-C4' energy: -76.311 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: -77.388 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: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1084.641394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.641394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.641394 (E_RNA) where: Base-Base interactions energy: -722.825 where: short stacking energy: -310.013 Base-Backbone interact. energy: -1.069 local terms energy: -360.748119 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -76.243 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -94.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1014.857759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.857759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.857759 (E_RNA) where: Base-Base interactions energy: -688.505 where: short stacking energy: -290.212 Base-Backbone interact. energy: -1.543 local terms energy: -324.809404 where: bonds (distance) C4'-P energy: -57.455 bonds (distance) P-C4' energy: -65.946 flat angles C4'-P-C4' energy: -69.428 flat angles P-C4'-P energy: -49.937 tors. eta vs tors. theta energy: -82.044 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: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -887.730285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.730285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.730285 (E_RNA) where: Base-Base interactions energy: -581.924 where: short stacking energy: -258.451 Base-Backbone interact. energy: -1.383 local terms energy: -304.422864 where: bonds (distance) C4'-P energy: -59.842 bonds (distance) P-C4' energy: -62.020 flat angles C4'-P-C4' energy: -62.550 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: -73.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -766.126587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.126587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.126587 (E_RNA) where: Base-Base interactions energy: -490.642 where: short stacking energy: -195.696 Base-Backbone interact. energy: 0.428 local terms energy: -275.913265 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -57.243 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -48.238 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: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -481.292714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.292714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.292714 (E_RNA) where: Base-Base interactions energy: -236.287 where: short stacking energy: -134.827 Base-Backbone interact. energy: -0.244 local terms energy: -244.761759 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -82.101 flat angles C4'-P-C4' energy: -45.480 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -9.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -488.942353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.942353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.942353 (E_RNA) where: Base-Base interactions energy: -250.665 where: short stacking energy: -126.275 Base-Backbone interact. energy: 0.586 local terms energy: -238.863306 where: bonds (distance) C4'-P energy: -58.926 bonds (distance) P-C4' energy: -72.288 flat angles C4'-P-C4' energy: -59.941 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -10.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -310.633959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.633959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.633959 (E_RNA) where: Base-Base interactions energy: -127.790 where: short stacking energy: -91.752 Base-Backbone interact. energy: -1.354 local terms energy: -181.489676 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -48.682 flat angles P-C4'-P energy: -26.393 tors. eta vs tors. theta energy: 11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1208.369202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.369202 (E_RNA) where: Base-Base interactions energy: -835.192 where: short stacking energy: -346.932 Base-Backbone interact. energy: -2.401 local terms energy: -370.776416 where: bonds (distance) C4'-P energy: -72.771 bonds (distance) P-C4' energy: -68.222 flat angles C4'-P-C4' energy: -80.197 flat angles P-C4'-P energy: -42.978 tors. eta vs tors. theta energy: -106.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1200.987812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.987812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.987812 (E_RNA) where: Base-Base interactions energy: -832.300 where: short stacking energy: -338.628 Base-Backbone interact. energy: 0.338 local terms energy: -369.025363 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -73.117 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -99.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1107.331309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.331309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.331309 (E_RNA) where: Base-Base interactions energy: -778.203 where: short stacking energy: -317.074 Base-Backbone interact. energy: -0.201 local terms energy: -328.927564 where: bonds (distance) C4'-P energy: -63.008 bonds (distance) P-C4' energy: -58.751 flat angles C4'-P-C4' energy: -67.546 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -92.730 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: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1027.877842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.877842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.877842 (E_RNA) where: Base-Base interactions energy: -679.082 where: short stacking energy: -280.470 Base-Backbone interact. energy: 0.280 local terms energy: -349.076301 where: bonds (distance) C4'-P energy: -71.510 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -75.076 flat angles P-C4'-P energy: -45.640 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: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1065.224255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.224255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.224255 (E_RNA) where: Base-Base interactions energy: -740.868 where: short stacking energy: -305.383 Base-Backbone interact. energy: -2.447 local terms energy: -321.909028 where: bonds (distance) C4'-P energy: -60.239 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -75.487 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -88.433 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: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -879.888118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.888118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.888118 (E_RNA) where: Base-Base interactions energy: -560.132 where: short stacking energy: -241.483 Base-Backbone interact. energy: 0.126 local terms energy: -319.882507 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -72.985 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -56.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -735.969893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.969893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.969893 (E_RNA) where: Base-Base interactions energy: -460.326 where: short stacking energy: -186.826 Base-Backbone interact. energy: -1.720 local terms energy: -273.924211 where: bonds (distance) C4'-P energy: -72.034 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -70.074 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -29.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -489.958377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.958377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.958377 (E_RNA) where: Base-Base interactions energy: -253.051 where: short stacking energy: -132.804 Base-Backbone interact. energy: -3.815 local terms energy: -233.093231 where: bonds (distance) C4'-P energy: -54.575 bonds (distance) P-C4' energy: -63.826 flat angles C4'-P-C4' energy: -68.058 flat angles P-C4'-P energy: -37.752 tors. eta vs tors. theta energy: -8.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -477.046343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.046343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.046343 (E_RNA) where: Base-Base interactions energy: -262.833 where: short stacking energy: -148.141 Base-Backbone interact. energy: -2.338 local terms energy: -211.874426 where: bonds (distance) C4'-P energy: -60.801 bonds (distance) P-C4' energy: -49.378 flat angles C4'-P-C4' energy: -61.988 flat angles P-C4'-P energy: -30.971 tors. eta vs tors. theta energy: -8.737 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: 329 Temperature: 1.350000 Total energy: -304.891935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.891935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.891935 (E_RNA) where: Base-Base interactions energy: -110.626 where: short stacking energy: -107.031 Base-Backbone interact. energy: 1.855 local terms energy: -196.120290 where: bonds (distance) C4'-P energy: -49.006 bonds (distance) P-C4' energy: -63.550 flat angles C4'-P-C4' energy: -52.059 flat angles P-C4'-P energy: -33.761 tors. eta vs tors. theta energy: 2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1202.472434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.472434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.472434 (E_RNA) where: Base-Base interactions energy: -802.170 where: short stacking energy: -351.544 Base-Backbone interact. energy: -2.399 local terms energy: -397.903439 where: bonds (distance) C4'-P energy: -71.835 bonds (distance) P-C4' energy: -77.786 flat angles C4'-P-C4' energy: -77.632 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: -111.128 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: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1194.413205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.413205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.413205 (E_RNA) where: Base-Base interactions energy: -818.436 where: short stacking energy: -333.257 Base-Backbone interact. energy: 0.466 local terms energy: -376.443227 where: bonds (distance) C4'-P energy: -67.254 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -82.313 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -104.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1097.594611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.594611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.594611 (E_RNA) where: Base-Base interactions energy: -729.743 where: short stacking energy: -302.123 Base-Backbone interact. energy: -1.735 local terms energy: -366.116893 where: bonds (distance) C4'-P energy: -82.874 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -69.717 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -83.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1078.843264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.843264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.843264 (E_RNA) where: Base-Base interactions energy: -746.184 where: short stacking energy: -297.065 Base-Backbone interact. energy: 1.606 local terms energy: -334.265478 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -72.006 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -53.664 tors. eta vs tors. theta energy: -76.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1039.053106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.053106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.053106 (E_RNA) where: Base-Base interactions energy: -696.968 where: short stacking energy: -305.911 Base-Backbone interact. energy: -0.016 local terms energy: -342.069543 where: bonds (distance) C4'-P energy: -59.195 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -75.859 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -84.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -873.171111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.171111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.171111 (E_RNA) where: Base-Base interactions energy: -569.797 where: short stacking energy: -246.203 Base-Backbone interact. energy: -0.497 local terms energy: -302.876668 where: bonds (distance) C4'-P energy: -59.005 bonds (distance) P-C4' energy: -69.558 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -45.373 tors. eta vs tors. theta energy: -64.162 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: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -822.040807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.040807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.040807 (E_RNA) where: Base-Base interactions energy: -527.184 where: short stacking energy: -212.590 Base-Backbone interact. energy: -1.551 local terms energy: -293.305725 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -42.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -493.939070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.939070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.939070 (E_RNA) where: Base-Base interactions energy: -282.389 where: short stacking energy: -145.455 Base-Backbone interact. energy: -1.437 local terms energy: -210.113161 where: bonds (distance) C4'-P energy: -47.359 bonds (distance) P-C4' energy: -45.918 flat angles C4'-P-C4' energy: -60.484 flat angles P-C4'-P energy: -29.145 tors. eta vs tors. theta energy: -27.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -483.114552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.114552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.114552 (E_RNA) where: Base-Base interactions energy: -253.961 where: short stacking energy: -120.601 Base-Backbone interact. energy: -0.781 local terms energy: -228.371961 where: bonds (distance) C4'-P energy: -53.969 bonds (distance) P-C4' energy: -70.381 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -13.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -338.745622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.745622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.745622 (E_RNA) where: Base-Base interactions energy: -138.777 where: short stacking energy: -88.162 Base-Backbone interact. energy: 2.243 local terms energy: -202.210983 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -50.616 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: 10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1232.889876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.889876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.889876 (E_RNA) where: Base-Base interactions energy: -839.547 where: short stacking energy: -364.635 Base-Backbone interact. energy: -2.360 local terms energy: -390.982302 where: bonds (distance) C4'-P energy: -71.865 bonds (distance) P-C4' energy: -67.543 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -110.226 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: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1196.542006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.542006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.542006 (E_RNA) where: Base-Base interactions energy: -824.405 where: short stacking energy: -350.440 Base-Backbone interact. energy: 2.664 local terms energy: -374.801516 where: bonds (distance) C4'-P energy: -67.439 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -82.341 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -100.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1080.910338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.910338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.910338 (E_RNA) where: Base-Base interactions energy: -735.157 where: short stacking energy: -290.216 Base-Backbone interact. energy: -1.984 local terms energy: -343.769479 where: bonds (distance) C4'-P energy: -75.020 bonds (distance) P-C4' energy: -77.994 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -68.429 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: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1059.226426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.226426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.226426 (E_RNA) where: Base-Base interactions energy: -721.330 where: short stacking energy: -307.713 Base-Backbone interact. energy: 0.368 local terms energy: -338.264237 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -71.662 flat angles C4'-P-C4' energy: -67.715 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -93.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1034.872608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.872608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.872608 (E_RNA) where: Base-Base interactions energy: -734.737 where: short stacking energy: -270.526 Base-Backbone interact. energy: -2.740 local terms energy: -297.395824 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -65.068 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -69.855 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: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -867.083791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.083791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.083791 (E_RNA) where: Base-Base interactions energy: -569.931 where: short stacking energy: -239.317 Base-Backbone interact. energy: -1.901 local terms energy: -295.252521 where: bonds (distance) C4'-P energy: -62.832 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -68.715 flat angles P-C4'-P energy: -48.798 tors. eta vs tors. theta energy: -53.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -756.644676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.644676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.644676 (E_RNA) where: Base-Base interactions energy: -490.518 where: short stacking energy: -196.121 Base-Backbone interact. energy: 2.099 local terms energy: -268.225995 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -34.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -532.466195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.466195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.466195 (E_RNA) where: Base-Base interactions energy: -288.735 where: short stacking energy: -157.807 Base-Backbone interact. energy: 2.210 local terms energy: -245.941066 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -31.842 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: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -468.051950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.051950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.051950 (E_RNA) where: Base-Base interactions energy: -234.866 where: short stacking energy: -110.842 Base-Backbone interact. energy: 5.382 local terms energy: -238.568352 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -57.030 flat angles P-C4'-P energy: -26.509 tors. eta vs tors. theta energy: -20.151 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: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -330.583068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.583068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.583068 (E_RNA) where: Base-Base interactions energy: -135.348 where: short stacking energy: -89.645 Base-Backbone interact. energy: -0.700 local terms energy: -194.535369 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -54.836 flat angles C4'-P-C4' energy: -57.682 flat angles P-C4'-P energy: -35.407 tors. eta vs tors. theta energy: 15.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1209.739920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.739920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.739920 (E_RNA) where: Base-Base interactions energy: -810.993 where: short stacking energy: -368.827 Base-Backbone interact. energy: -1.080 local terms energy: -397.666405 where: bonds (distance) C4'-P energy: -67.150 bonds (distance) P-C4' energy: -79.880 flat angles C4'-P-C4' energy: -85.914 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -108.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1202.983768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.983768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.983768 (E_RNA) where: Base-Base interactions energy: -827.194 where: short stacking energy: -356.257 Base-Backbone interact. energy: 0.567 local terms energy: -376.357393 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -71.783 flat angles C4'-P-C4' energy: -78.390 flat angles P-C4'-P energy: -51.340 tors. eta vs tors. theta energy: -102.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1111.652804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.652804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.652804 (E_RNA) where: Base-Base interactions energy: -755.648 where: short stacking energy: -318.848 Base-Backbone interact. energy: 2.895 local terms energy: -358.899228 where: bonds (distance) C4'-P energy: -65.677 bonds (distance) P-C4' energy: -73.808 flat angles C4'-P-C4' energy: -73.904 flat angles P-C4'-P energy: -52.021 tors. eta vs tors. theta energy: -93.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1037.245836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.245836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.245836 (E_RNA) where: Base-Base interactions energy: -715.547 where: short stacking energy: -304.870 Base-Backbone interact. energy: 1.297 local terms energy: -322.995850 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -77.164 flat angles P-C4'-P energy: -41.233 tors. eta vs tors. theta energy: -84.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1042.641978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.641978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.641978 (E_RNA) where: Base-Base interactions energy: -715.578 where: short stacking energy: -270.668 Base-Backbone interact. energy: 4.689 local terms energy: -331.753480 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -50.411 tors. eta vs tors. theta energy: -73.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -904.109641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.109641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.109641 (E_RNA) where: Base-Base interactions energy: -584.624 where: short stacking energy: -269.196 Base-Backbone interact. energy: -0.283 local terms energy: -319.202823 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -54.265 flat angles C4'-P-C4' energy: -67.693 flat angles P-C4'-P energy: -45.232 tors. eta vs tors. theta energy: -81.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -810.285356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.285356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.285356 (E_RNA) where: Base-Base interactions energy: -536.075 where: short stacking energy: -219.412 Base-Backbone interact. energy: 2.553 local terms energy: -276.762635 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -71.858 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -29.926 tors. eta vs tors. theta energy: -45.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -503.319815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.319815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.319815 (E_RNA) where: Base-Base interactions energy: -256.660 where: short stacking energy: -126.807 Base-Backbone interact. energy: 2.037 local terms energy: -248.697077 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -73.199 flat angles C4'-P-C4' energy: -65.182 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -12.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -473.563220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.563220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.563220 (E_RNA) where: Base-Base interactions energy: -237.038 where: short stacking energy: -133.808 Base-Backbone interact. energy: 2.929 local terms energy: -239.454963 where: bonds (distance) C4'-P energy: -70.351 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -59.652 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: -5.446 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: 332 Temperature: 1.350000 Total energy: -290.694911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.694911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.694911 (E_RNA) where: Base-Base interactions energy: -91.039 where: short stacking energy: -74.670 Base-Backbone interact. energy: -1.093 local terms energy: -198.562901 where: bonds (distance) C4'-P energy: -71.786 bonds (distance) P-C4' energy: -56.661 flat angles C4'-P-C4' energy: -50.937 flat angles P-C4'-P energy: -27.873 tors. eta vs tors. theta energy: 8.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1211.775339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.775339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.775339 (E_RNA) where: Base-Base interactions energy: -805.720 where: short stacking energy: -360.151 Base-Backbone interact. energy: 0.108 local terms energy: -406.163606 where: bonds (distance) C4'-P energy: -83.932 bonds (distance) P-C4' energy: -77.240 flat angles C4'-P-C4' energy: -82.360 flat angles P-C4'-P energy: -54.972 tors. eta vs tors. theta energy: -107.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1195.932001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.932001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.932001 (E_RNA) where: Base-Base interactions energy: -796.010 where: short stacking energy: -349.690 Base-Backbone interact. energy: -2.641 local terms energy: -397.280886 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -88.199 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -104.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1151.262066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.262066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.262066 (E_RNA) where: Base-Base interactions energy: -779.043 where: short stacking energy: -354.748 Base-Backbone interact. energy: -2.819 local terms energy: -369.399755 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -66.300 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -103.104 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: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1079.363164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.363164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.363164 (E_RNA) where: Base-Base interactions energy: -757.314 where: short stacking energy: -286.537 Base-Backbone interact. energy: 0.890 local terms energy: -322.939648 where: bonds (distance) C4'-P energy: -65.071 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -76.254 flat angles P-C4'-P energy: -40.464 tors. eta vs tors. theta energy: -75.716 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: 333 Temperature: 1.100000 Total energy: -1027.822263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.822263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.822263 (E_RNA) where: Base-Base interactions energy: -687.255 where: short stacking energy: -279.739 Base-Backbone interact. energy: 0.529 local terms energy: -341.096183 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -69.882 flat angles C4'-P-C4' energy: -78.936 flat angles P-C4'-P energy: -53.925 tors. eta vs tors. theta energy: -77.403 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: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -919.904604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.904604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.904604 (E_RNA) where: Base-Base interactions energy: -605.970 where: short stacking energy: -268.352 Base-Backbone interact. energy: 1.860 local terms energy: -315.794376 where: bonds (distance) C4'-P energy: -60.292 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: -93.224 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: 7, replica: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -785.556616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.556616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.556616 (E_RNA) where: Base-Base interactions energy: -493.300 where: short stacking energy: -211.371 Base-Backbone interact. energy: 1.338 local terms energy: -293.594760 where: bonds (distance) C4'-P energy: -53.660 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -70.218 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -52.840 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: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -542.090632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.090632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.090632 (E_RNA) where: Base-Base interactions energy: -295.246 where: short stacking energy: -147.420 Base-Backbone interact. energy: -0.344 local terms energy: -246.500535 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -60.571 flat angles P-C4'-P energy: -42.965 tors. eta vs tors. theta energy: -12.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -478.783778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.783778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.783778 (E_RNA) where: Base-Base interactions energy: -282.193 where: short stacking energy: -147.198 Base-Backbone interact. energy: -2.521 local terms energy: -194.070101 where: bonds (distance) C4'-P energy: -48.742 bonds (distance) P-C4' energy: -69.098 flat angles C4'-P-C4' energy: -48.548 flat angles P-C4'-P energy: -14.604 tors. eta vs tors. theta energy: -13.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -293.671253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.671253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.671253 (E_RNA) where: Base-Base interactions energy: -104.910 where: short stacking energy: -92.903 Base-Backbone interact. energy: -0.636 local terms energy: -188.125695 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -58.485 flat angles C4'-P-C4' energy: -52.917 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: 8.009 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: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1208.570110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.570110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.570110 (E_RNA) where: Base-Base interactions energy: -810.476 where: short stacking energy: -349.628 Base-Backbone interact. energy: -1.572 local terms energy: -396.521476 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -76.614 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -116.061 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: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1206.915778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.915778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.915778 (E_RNA) where: Base-Base interactions energy: -837.625 where: short stacking energy: -350.956 Base-Backbone interact. energy: -2.058 local terms energy: -367.232164 where: bonds (distance) C4'-P energy: -74.259 bonds (distance) P-C4' energy: -69.006 flat angles C4'-P-C4' energy: -76.554 flat angles P-C4'-P energy: -43.974 tors. eta vs tors. theta energy: -103.439 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: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1156.458340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.458340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.458340 (E_RNA) where: Base-Base interactions energy: -822.424 where: short stacking energy: -308.149 Base-Backbone interact. energy: 1.580 local terms energy: -335.614443 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -70.794 flat angles C4'-P-C4' energy: -65.717 flat angles P-C4'-P energy: -47.451 tors. eta vs tors. theta energy: -78.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1087.320314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.320314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.320314 (E_RNA) where: Base-Base interactions energy: -738.404 where: short stacking energy: -300.137 Base-Backbone interact. energy: -1.662 local terms energy: -347.254627 where: bonds (distance) C4'-P energy: -66.918 bonds (distance) P-C4' energy: -72.450 flat angles C4'-P-C4' energy: -73.161 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: -87.580 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: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1000.480839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.480839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.480839 (E_RNA) where: Base-Base interactions energy: -676.973 where: short stacking energy: -274.780 Base-Backbone interact. energy: -0.154 local terms energy: -323.354642 where: bonds (distance) C4'-P energy: -67.928 bonds (distance) P-C4' energy: -57.402 flat angles C4'-P-C4' energy: -72.242 flat angles P-C4'-P energy: -46.877 tors. eta vs tors. theta energy: -78.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -900.937554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.937554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.937554 (E_RNA) where: Base-Base interactions energy: -605.237 where: short stacking energy: -262.127 Base-Backbone interact. energy: -1.618 local terms energy: -294.081842 where: bonds (distance) C4'-P energy: -57.630 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -55.358 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: -61.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -777.872902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.872902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.872902 (E_RNA) where: Base-Base interactions energy: -514.655 where: short stacking energy: -224.122 Base-Backbone interact. energy: 0.727 local terms energy: -263.945074 where: bonds (distance) C4'-P energy: -49.596 bonds (distance) P-C4' energy: -53.479 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -36.019 tors. eta vs tors. theta energy: -62.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -589.393377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.393377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.393377 (E_RNA) where: Base-Base interactions energy: -351.061 where: short stacking energy: -167.634 Base-Backbone interact. energy: -1.966 local terms energy: -236.366672 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -66.125 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -28.198 tors. eta vs tors. theta energy: -21.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -485.506227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.506227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.506227 (E_RNA) where: Base-Base interactions energy: -253.370 where: short stacking energy: -115.344 Base-Backbone interact. energy: -0.866 local terms energy: -231.270396 where: bonds (distance) C4'-P energy: -73.498 bonds (distance) P-C4' energy: -61.712 flat angles C4'-P-C4' energy: -55.525 flat angles P-C4'-P energy: -28.629 tors. eta vs tors. theta energy: -11.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -292.033260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.033260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.033260 (E_RNA) where: Base-Base interactions energy: -99.288 where: short stacking energy: -80.336 Base-Backbone interact. energy: -0.150 local terms energy: -192.594986 where: bonds (distance) C4'-P energy: -57.400 bonds (distance) P-C4' energy: -75.905 flat angles C4'-P-C4' energy: -37.162 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: 9.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1214.779038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.779038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.779038 (E_RNA) where: Base-Base interactions energy: -831.882 where: short stacking energy: -344.478 Base-Backbone interact. energy: 2.766 local terms energy: -385.662573 where: bonds (distance) C4'-P energy: -80.915 bonds (distance) P-C4' energy: -75.982 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -99.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1192.676930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.676930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.676930 (E_RNA) where: Base-Base interactions energy: -804.575 where: short stacking energy: -340.967 Base-Backbone interact. energy: -2.030 local terms energy: -386.071943 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -67.633 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -102.355 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: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1122.496136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.496136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.496136 (E_RNA) where: Base-Base interactions energy: -792.438 where: short stacking energy: -296.062 Base-Backbone interact. energy: 0.586 local terms energy: -330.644240 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -68.120 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -70.691 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: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1067.439353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.439353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.439353 (E_RNA) where: Base-Base interactions energy: -728.184 where: short stacking energy: -303.161 Base-Backbone interact. energy: -1.647 local terms energy: -337.608210 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -65.465 flat angles C4'-P-C4' energy: -79.889 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: -85.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -979.851884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.851884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.851884 (E_RNA) where: Base-Base interactions energy: -659.752 where: short stacking energy: -285.239 Base-Backbone interact. energy: -0.417 local terms energy: -319.682774 where: bonds (distance) C4'-P energy: -67.830 bonds (distance) P-C4' energy: -55.320 flat angles C4'-P-C4' energy: -71.200 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: -78.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -906.935804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.935804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.935804 (E_RNA) where: Base-Base interactions energy: -596.098 where: short stacking energy: -262.169 Base-Backbone interact. energy: 3.068 local terms energy: -313.905271 where: bonds (distance) C4'-P energy: -58.058 bonds (distance) P-C4' energy: -66.642 flat angles C4'-P-C4' energy: -72.849 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -75.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -802.288853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.288853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.288853 (E_RNA) where: Base-Base interactions energy: -534.408 where: short stacking energy: -206.153 Base-Backbone interact. energy: -3.028 local terms energy: -264.853329 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -58.352 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: -40.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -584.572319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.572319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.572319 (E_RNA) where: Base-Base interactions energy: -322.596 where: short stacking energy: -148.637 Base-Backbone interact. energy: 2.888 local terms energy: -264.863961 where: bonds (distance) C4'-P energy: -61.290 bonds (distance) P-C4' energy: -85.261 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -33.850 tors. eta vs tors. theta energy: -20.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -469.886716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.886716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.886716 (E_RNA) where: Base-Base interactions energy: -240.918 where: short stacking energy: -118.602 Base-Backbone interact. energy: 1.406 local terms energy: -230.374564 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -56.351 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -306.622502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.622502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.622502 (E_RNA) where: Base-Base interactions energy: -115.513 where: short stacking energy: -81.406 Base-Backbone interact. energy: -0.830 local terms energy: -190.278969 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -63.074 flat angles C4'-P-C4' energy: -46.426 flat angles P-C4'-P energy: -23.538 tors. eta vs tors. theta energy: 4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1229.075505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.075505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.075505 (E_RNA) where: Base-Base interactions energy: -835.081 where: short stacking energy: -345.548 Base-Backbone interact. energy: -0.908 local terms energy: -393.086185 where: bonds (distance) C4'-P energy: -81.040 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -80.605 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -107.717 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: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1199.437829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.437829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.437829 (E_RNA) where: Base-Base interactions energy: -804.162 where: short stacking energy: -333.955 Base-Backbone interact. energy: -1.508 local terms energy: -393.768424 where: bonds (distance) C4'-P energy: -74.438 bonds (distance) P-C4' energy: -75.911 flat angles C4'-P-C4' energy: -82.077 flat angles P-C4'-P energy: -58.096 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: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1132.290979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.290979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.290979 (E_RNA) where: Base-Base interactions energy: -773.748 where: short stacking energy: -327.453 Base-Backbone interact. energy: -0.029 local terms energy: -358.513810 where: bonds (distance) C4'-P energy: -72.150 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -55.860 tors. eta vs tors. theta energy: -94.478 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: 336 Temperature: 1.050000 Total energy: -1063.387322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.387322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.387322 (E_RNA) where: Base-Base interactions energy: -743.651 where: short stacking energy: -293.797 Base-Backbone interact. energy: -1.426 local terms energy: -318.309657 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -59.421 flat angles C4'-P-C4' energy: -68.414 flat angles P-C4'-P energy: -49.310 tors. eta vs tors. theta energy: -75.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -960.827728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.827728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.827728 (E_RNA) where: Base-Base interactions energy: -646.685 where: short stacking energy: -265.342 Base-Backbone interact. energy: -1.237 local terms energy: -312.905810 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -64.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -889.855236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.855236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.855236 (E_RNA) where: Base-Base interactions energy: -599.167 where: short stacking energy: -266.169 Base-Backbone interact. energy: -0.804 local terms energy: -289.883694 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -60.899 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -68.971 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: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -853.783402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.783402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.783402 (E_RNA) where: Base-Base interactions energy: -556.528 where: short stacking energy: -235.801 Base-Backbone interact. energy: 0.991 local terms energy: -298.247079 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -70.248 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: -64.373 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: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -604.833319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.833319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.833319 (E_RNA) where: Base-Base interactions energy: -351.627 where: short stacking energy: -171.447 Base-Backbone interact. energy: 0.530 local terms energy: -253.736630 where: bonds (distance) C4'-P energy: -51.892 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -53.024 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -33.052 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: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -474.621412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.621412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.621412 (E_RNA) where: Base-Base interactions energy: -232.717 where: short stacking energy: -129.093 Base-Backbone interact. energy: -1.250 local terms energy: -240.654701 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -58.389 flat angles P-C4'-P energy: -24.320 tors. eta vs tors. theta energy: -23.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -309.737005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.737005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.737005 (E_RNA) where: Base-Base interactions energy: -115.864 where: short stacking energy: -67.426 Base-Backbone interact. energy: -0.057 local terms energy: -193.815737 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -68.829 flat angles C4'-P-C4' energy: -69.995 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: 24.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1252.104111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.104111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.104111 (E_RNA) where: Base-Base interactions energy: -873.129 where: short stacking energy: -360.322 Base-Backbone interact. energy: -2.930 local terms energy: -376.045549 where: bonds (distance) C4'-P energy: -66.333 bonds (distance) P-C4' energy: -69.647 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -59.969 tors. eta vs tors. theta energy: -106.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1169.610200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.610200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.610200 (E_RNA) where: Base-Base interactions energy: -786.448 where: short stacking energy: -335.323 Base-Backbone interact. energy: -0.460 local terms energy: -382.701448 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -71.177 flat angles C4'-P-C4' energy: -77.135 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -103.232 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: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1118.237191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.237191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.237191 (E_RNA) where: Base-Base interactions energy: -761.503 where: short stacking energy: -326.854 Base-Backbone interact. energy: -2.471 local terms energy: -354.263370 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -82.987 flat angles P-C4'-P energy: -53.993 tors. eta vs tors. theta energy: -83.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1092.334327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.334327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.334327 (E_RNA) where: Base-Base interactions energy: -750.830 where: short stacking energy: -298.323 Base-Backbone interact. energy: -2.645 local terms energy: -338.859223 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -81.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -952.564590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.564590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.564590 (E_RNA) where: Base-Base interactions energy: -648.375 where: short stacking energy: -273.979 Base-Backbone interact. energy: -1.026 local terms energy: -303.162926 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -60.768 flat angles P-C4'-P energy: -54.072 tors. eta vs tors. theta energy: -63.300 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: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -920.111652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.111652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.111652 (E_RNA) where: Base-Base interactions energy: -601.028 where: short stacking energy: -279.331 Base-Backbone interact. energy: 0.292 local terms energy: -319.376326 where: bonds (distance) C4'-P energy: -57.257 bonds (distance) P-C4' energy: -58.379 flat angles C4'-P-C4' energy: -73.465 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: -83.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -791.157502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.157502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.157502 (E_RNA) where: Base-Base interactions energy: -528.753 where: short stacking energy: -208.578 Base-Backbone interact. energy: 0.659 local terms energy: -263.064222 where: bonds (distance) C4'-P energy: -60.005 bonds (distance) P-C4' energy: -54.738 flat angles C4'-P-C4' energy: -55.609 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -44.423 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: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -594.028343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.028343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.028343 (E_RNA) where: Base-Base interactions energy: -361.812 where: short stacking energy: -166.520 Base-Backbone interact. energy: 2.795 local terms energy: -235.010669 where: bonds (distance) C4'-P energy: -60.746 bonds (distance) P-C4' energy: -54.424 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -30.617 tors. eta vs tors. theta energy: -19.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -512.828038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.828038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.828038 (E_RNA) where: Base-Base interactions energy: -271.750 where: short stacking energy: -130.539 Base-Backbone interact. energy: 3.974 local terms energy: -245.052756 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -62.373 flat angles C4'-P-C4' energy: -61.349 flat angles P-C4'-P energy: -43.371 tors. eta vs tors. theta energy: -16.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -306.876403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.876403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.876403 (E_RNA) where: Base-Base interactions energy: -139.781 where: short stacking energy: -94.457 Base-Backbone interact. energy: 0.412 local terms energy: -167.507498 where: bonds (distance) C4'-P energy: -53.241 bonds (distance) P-C4' energy: -56.236 flat angles C4'-P-C4' energy: -46.830 flat angles P-C4'-P energy: -25.794 tors. eta vs tors. theta energy: 14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1254.660292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.660292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.660292 (E_RNA) where: Base-Base interactions energy: -873.153 where: short stacking energy: -360.528 Base-Backbone interact. energy: -1.491 local terms energy: -380.015904 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -62.345 tors. eta vs tors. theta energy: -107.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1174.332863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.332863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.332863 (E_RNA) where: Base-Base interactions energy: -792.764 where: short stacking energy: -345.826 Base-Backbone interact. energy: 0.121 local terms energy: -381.689163 where: bonds (distance) C4'-P energy: -61.438 bonds (distance) P-C4' energy: -76.888 flat angles C4'-P-C4' energy: -81.795 flat angles P-C4'-P energy: -55.861 tors. eta vs tors. theta energy: -105.707 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: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1156.633669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.633669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.633669 (E_RNA) where: Base-Base interactions energy: -793.483 where: short stacking energy: -350.222 Base-Backbone interact. energy: -1.739 local terms energy: -361.411987 where: bonds (distance) C4'-P energy: -60.581 bonds (distance) P-C4' energy: -65.078 flat angles C4'-P-C4' energy: -75.949 flat angles P-C4'-P energy: -57.047 tors. eta vs tors. theta energy: -102.757 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: 338 Temperature: 1.050000 Total energy: -1069.853832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.853832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.853832 (E_RNA) where: Base-Base interactions energy: -739.631 where: short stacking energy: -302.180 Base-Backbone interact. energy: 0.249 local terms energy: -330.471645 where: bonds (distance) C4'-P energy: -64.000 bonds (distance) P-C4' energy: -63.672 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: -81.234 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: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -953.745891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.745891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.745891 (E_RNA) where: Base-Base interactions energy: -645.209 where: short stacking energy: -264.340 Base-Backbone interact. energy: 0.102 local terms energy: -308.639230 where: bonds (distance) C4'-P energy: -60.771 bonds (distance) P-C4' energy: -74.300 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -71.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -889.493940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.493940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.493940 (E_RNA) where: Base-Base interactions energy: -586.591 where: short stacking energy: -255.016 Base-Backbone interact. energy: -1.545 local terms energy: -301.357244 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -64.092 flat angles C4'-P-C4' energy: -56.950 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -71.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -826.331815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.331815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.331815 (E_RNA) where: Base-Base interactions energy: -546.218 where: short stacking energy: -231.048 Base-Backbone interact. energy: -1.281 local terms energy: -278.833443 where: bonds (distance) C4'-P energy: -66.289 bonds (distance) P-C4' energy: -66.870 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -50.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -520.206644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.206644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.206644 (E_RNA) where: Base-Base interactions energy: -285.361 where: short stacking energy: -149.735 Base-Backbone interact. energy: -1.398 local terms energy: -233.447281 where: bonds (distance) C4'-P energy: -53.332 bonds (distance) P-C4' energy: -69.631 flat angles C4'-P-C4' energy: -51.447 flat angles P-C4'-P energy: -25.766 tors. eta vs tors. theta energy: -33.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -459.839553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.839553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.839553 (E_RNA) where: Base-Base interactions energy: -229.038 where: short stacking energy: -125.620 Base-Backbone interact. energy: 1.392 local terms energy: -232.193576 where: bonds (distance) C4'-P energy: -63.594 bonds (distance) P-C4' energy: -63.739 flat angles C4'-P-C4' energy: -58.317 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -285.835138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.835138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.835138 (E_RNA) where: Base-Base interactions energy: -85.989 where: short stacking energy: -65.413 Base-Backbone interact. energy: -1.925 local terms energy: -197.920684 where: bonds (distance) C4'-P energy: -62.285 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -30.160 tors. eta vs tors. theta energy: 13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1259.994407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.994407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.994407 (E_RNA) where: Base-Base interactions energy: -883.985 where: short stacking energy: -363.047 Base-Backbone interact. energy: -2.444 local terms energy: -373.566021 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -69.954 flat angles C4'-P-C4' energy: -76.502 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -106.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1169.350300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.350300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.350300 (E_RNA) where: Base-Base interactions energy: -793.637 where: short stacking energy: -337.258 Base-Backbone interact. energy: -4.088 local terms energy: -371.625005 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -68.654 flat angles C4'-P-C4' energy: -81.488 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -100.055 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: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1164.602210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.602210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.602210 (E_RNA) where: Base-Base interactions energy: -783.718 where: short stacking energy: -338.066 Base-Backbone interact. energy: -0.921 local terms energy: -379.963246 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -70.554 flat angles C4'-P-C4' energy: -87.035 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -108.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1137.899142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.899142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.899142 (E_RNA) where: Base-Base interactions energy: -787.164 where: short stacking energy: -324.423 Base-Backbone interact. energy: -0.986 local terms energy: -349.748800 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -65.055 flat angles P-C4'-P energy: -49.207 tors. eta vs tors. theta energy: -92.826 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: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -945.370610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.370610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.370610 (E_RNA) where: Base-Base interactions energy: -601.430 where: short stacking energy: -247.458 Base-Backbone interact. energy: -2.763 local terms energy: -341.177529 where: bonds (distance) C4'-P energy: -74.134 bonds (distance) P-C4' energy: -70.996 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -51.314 tors. eta vs tors. theta energy: -64.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -902.458348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.458348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.458348 (E_RNA) where: Base-Base interactions energy: -577.987 where: short stacking energy: -252.982 Base-Backbone interact. energy: -0.811 local terms energy: -323.659944 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -68.210 flat angles C4'-P-C4' energy: -70.888 flat angles P-C4'-P energy: -46.906 tors. eta vs tors. theta energy: -64.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -830.546126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.546126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.546126 (E_RNA) where: Base-Base interactions energy: -561.860 where: short stacking energy: -221.714 Base-Backbone interact. energy: -0.362 local terms energy: -268.324257 where: bonds (distance) C4'-P energy: -50.319 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -60.857 flat angles P-C4'-P energy: -32.449 tors. eta vs tors. theta energy: -53.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -493.476881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.476881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.476881 (E_RNA) where: Base-Base interactions energy: -262.010 where: short stacking energy: -149.247 Base-Backbone interact. energy: -0.845 local terms energy: -230.621402 where: bonds (distance) C4'-P energy: -62.706 bonds (distance) P-C4' energy: -56.314 flat angles C4'-P-C4' energy: -57.358 flat angles P-C4'-P energy: -34.002 tors. eta vs tors. theta energy: -20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -550.937877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.937877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.937877 (E_RNA) where: Base-Base interactions energy: -312.556 where: short stacking energy: -167.857 Base-Backbone interact. energy: -1.097 local terms energy: -237.285379 where: bonds (distance) C4'-P energy: -37.228 bonds (distance) P-C4' energy: -76.077 flat angles C4'-P-C4' energy: -62.085 flat angles P-C4'-P energy: -39.761 tors. eta vs tors. theta energy: -22.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -303.978893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.978893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.978893 (E_RNA) where: Base-Base interactions energy: -124.487 where: short stacking energy: -72.068 Base-Backbone interact. energy: 0.646 local terms energy: -180.137326 where: bonds (distance) C4'-P energy: -58.347 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -58.654 flat angles P-C4'-P energy: -14.266 tors. eta vs tors. theta energy: 7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1240.862357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.862357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.862357 (E_RNA) where: Base-Base interactions energy: -860.702 where: short stacking energy: -365.212 Base-Backbone interact. energy: 2.159 local terms energy: -382.319476 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -77.475 flat angles C4'-P-C4' energy: -77.900 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: -109.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1194.193542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.193542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.193542 (E_RNA) where: Base-Base interactions energy: -813.041 where: short stacking energy: -331.620 Base-Backbone interact. energy: -2.466 local terms energy: -378.686163 where: bonds (distance) C4'-P energy: -77.299 bonds (distance) P-C4' energy: -76.735 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -95.397 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: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1141.741550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.741550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.741550 (E_RNA) where: Base-Base interactions energy: -765.895 where: short stacking energy: -345.866 Base-Backbone interact. energy: 1.154 local terms energy: -377.000428 where: bonds (distance) C4'-P energy: -67.273 bonds (distance) P-C4' energy: -79.709 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -101.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1086.814592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.814592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.814592 (E_RNA) where: Base-Base interactions energy: -745.197 where: short stacking energy: -306.306 Base-Backbone interact. energy: -2.581 local terms energy: -339.035865 where: bonds (distance) C4'-P energy: -67.220 bonds (distance) P-C4' energy: -71.036 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -80.651 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: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -957.883040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.883040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.883040 (E_RNA) where: Base-Base interactions energy: -655.228 where: short stacking energy: -282.931 Base-Backbone interact. energy: -1.568 local terms energy: -301.087210 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -62.005 flat angles C4'-P-C4' energy: -81.515 flat angles P-C4'-P energy: -33.470 tors. eta vs tors. theta energy: -60.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -922.939671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.939671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.939671 (E_RNA) where: Base-Base interactions energy: -586.004 where: short stacking energy: -272.451 Base-Backbone interact. energy: 1.020 local terms energy: -337.955634 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -76.479 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -42.965 tors. eta vs tors. theta energy: -77.729 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: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -841.499148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.499148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.499148 (E_RNA) where: Base-Base interactions energy: -555.562 where: short stacking energy: -224.531 Base-Backbone interact. energy: 0.932 local terms energy: -286.868957 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -59.686 flat angles C4'-P-C4' energy: -63.076 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: -59.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -485.388889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.388889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.388889 (E_RNA) where: Base-Base interactions energy: -250.397 where: short stacking energy: -144.728 Base-Backbone interact. energy: 0.741 local terms energy: -235.732684 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -66.055 flat angles C4'-P-C4' energy: -71.724 flat angles P-C4'-P energy: -21.832 tors. eta vs tors. theta energy: -12.522 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: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -534.643391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.643391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.643391 (E_RNA) where: Base-Base interactions energy: -289.460 where: short stacking energy: -165.179 Base-Backbone interact. energy: -0.197 local terms energy: -244.986773 where: bonds (distance) C4'-P energy: -72.796 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -55.122 flat angles P-C4'-P energy: -33.597 tors. eta vs tors. theta energy: -29.325 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: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -318.614571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.614571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.614571 (E_RNA) where: Base-Base interactions energy: -97.569 where: short stacking energy: -71.120 Base-Backbone interact. energy: -0.771 local terms energy: -220.274631 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -53.538 flat angles P-C4'-P energy: -40.484 tors. eta vs tors. theta energy: 2.967 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: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1268.197950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.197950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.197950 (E_RNA) where: Base-Base interactions energy: -879.015 where: short stacking energy: -351.495 Base-Backbone interact. energy: -2.184 local terms energy: -386.999571 where: bonds (distance) C4'-P energy: -75.704 bonds (distance) P-C4' energy: -69.584 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: -108.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1182.978691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.978691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.978691 (E_RNA) where: Base-Base interactions energy: -802.570 where: short stacking energy: -330.289 Base-Backbone interact. energy: 0.301 local terms energy: -380.709274 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -76.063 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -94.622 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: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1154.342429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.342429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.342429 (E_RNA) where: Base-Base interactions energy: -780.884 where: short stacking energy: -351.156 Base-Backbone interact. energy: 0.845 local terms energy: -374.304083 where: bonds (distance) C4'-P energy: -66.463 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -74.583 flat angles P-C4'-P energy: -57.787 tors. eta vs tors. theta energy: -103.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1098.660234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.660234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.660234 (E_RNA) where: Base-Base interactions energy: -747.676 where: short stacking energy: -282.997 Base-Backbone interact. energy: -0.888 local terms energy: -350.096625 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -73.827 flat angles C4'-P-C4' energy: -81.960 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -74.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -985.036970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.036970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.036970 (E_RNA) where: Base-Base interactions energy: -651.288 where: short stacking energy: -262.235 Base-Backbone interact. energy: -2.817 local terms energy: -330.931500 where: bonds (distance) C4'-P energy: -66.523 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -70.154 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -70.643 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: 341 Temperature: 1.150000 Total energy: -931.528698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.528698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.528698 (E_RNA) where: Base-Base interactions energy: -606.961 where: short stacking energy: -277.184 Base-Backbone interact. energy: 0.377 local terms energy: -324.945018 where: bonds (distance) C4'-P energy: -64.866 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -67.661 flat angles P-C4'-P energy: -53.071 tors. eta vs tors. theta energy: -77.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -773.545913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.545913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.545913 (E_RNA) where: Base-Base interactions energy: -495.559 where: short stacking energy: -200.024 Base-Backbone interact. energy: -0.349 local terms energy: -277.638018 where: bonds (distance) C4'-P energy: -55.584 bonds (distance) P-C4' energy: -65.407 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -42.573 tors. eta vs tors. theta energy: -42.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -596.830684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.830684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.830684 (E_RNA) where: Base-Base interactions energy: -349.875 where: short stacking energy: -169.563 Base-Backbone interact. energy: 1.410 local terms energy: -248.365860 where: bonds (distance) C4'-P energy: -57.393 bonds (distance) P-C4' energy: -62.027 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -35.031 tors. eta vs tors. theta energy: -25.775 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: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -474.016481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.016481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.016481 (E_RNA) where: Base-Base interactions energy: -238.582 where: short stacking energy: -135.430 Base-Backbone interact. energy: -1.451 local terms energy: -233.983821 where: bonds (distance) C4'-P energy: -61.763 bonds (distance) P-C4' energy: -69.000 flat angles C4'-P-C4' energy: -53.281 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: -14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -280.279268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.279268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.279268 (E_RNA) where: Base-Base interactions energy: -107.028 where: short stacking energy: -93.657 Base-Backbone interact. energy: 1.467 local terms energy: -174.717567 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -65.346 flat angles C4'-P-C4' energy: -48.157 flat angles P-C4'-P energy: -14.794 tors. eta vs tors. theta energy: 7.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1269.056411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.056411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.056411 (E_RNA) where: Base-Base interactions energy: -883.750 where: short stacking energy: -382.542 Base-Backbone interact. energy: 1.148 local terms energy: -386.454494 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -71.098 flat angles C4'-P-C4' energy: -84.311 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -106.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1162.835658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.835658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.835658 (E_RNA) where: Base-Base interactions energy: -776.612 where: short stacking energy: -313.880 Base-Backbone interact. energy: -1.507 local terms energy: -384.715885 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -80.630 flat angles C4'-P-C4' energy: -78.547 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -94.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1139.662172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.662172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.662172 (E_RNA) where: Base-Base interactions energy: -779.740 where: short stacking energy: -331.004 Base-Backbone interact. energy: 0.274 local terms energy: -360.195945 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -75.592 flat angles C4'-P-C4' energy: -78.550 flat angles P-C4'-P energy: -48.849 tors. eta vs tors. theta energy: -94.972 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: 342 Temperature: 1.050000 Total energy: -1084.389239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.389239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.389239 (E_RNA) where: Base-Base interactions energy: -757.000 where: short stacking energy: -289.937 Base-Backbone interact. energy: -3.747 local terms energy: -323.642247 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -39.751 tors. eta vs tors. theta energy: -87.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -970.709798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.709798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.709798 (E_RNA) where: Base-Base interactions energy: -656.019 where: short stacking energy: -274.985 Base-Backbone interact. energy: 0.198 local terms energy: -314.889019 where: bonds (distance) C4'-P energy: -68.577 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -53.601 tors. eta vs tors. theta energy: -59.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -904.380187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.380187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.380187 (E_RNA) where: Base-Base interactions energy: -588.541 where: short stacking energy: -246.807 Base-Backbone interact. energy: -1.030 local terms energy: -314.809003 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -57.641 flat angles C4'-P-C4' energy: -69.545 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -68.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -830.388587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.388587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.388587 (E_RNA) where: Base-Base interactions energy: -521.490 where: short stacking energy: -237.141 Base-Backbone interact. energy: 2.384 local terms energy: -311.282450 where: bonds (distance) C4'-P energy: -64.037 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -70.331 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: -63.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -630.880082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.880082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.880082 (E_RNA) where: Base-Base interactions energy: -396.418 where: short stacking energy: -155.399 Base-Backbone interact. energy: 1.768 local terms energy: -236.229920 where: bonds (distance) C4'-P energy: -65.295 bonds (distance) P-C4' energy: -61.035 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -24.272 tors. eta vs tors. theta energy: -16.907 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: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -474.807325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.807325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.807325 (E_RNA) where: Base-Base interactions energy: -231.179 where: short stacking energy: -131.979 Base-Backbone interact. energy: -1.602 local terms energy: -242.026816 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -61.338 flat angles P-C4'-P energy: -22.537 tors. eta vs tors. theta energy: -20.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -345.615226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.615226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.615226 (E_RNA) where: Base-Base interactions energy: -126.956 where: short stacking energy: -92.759 Base-Backbone interact. energy: -1.965 local terms energy: -216.694316 where: bonds (distance) C4'-P energy: -48.694 bonds (distance) P-C4' energy: -74.465 flat angles C4'-P-C4' energy: -56.039 flat angles P-C4'-P energy: -26.129 tors. eta vs tors. theta energy: -11.368 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: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1257.899146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.899146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.899146 (E_RNA) where: Base-Base interactions energy: -856.863 where: short stacking energy: -370.346 Base-Backbone interact. energy: -1.583 local terms energy: -399.453658 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -78.967 flat angles C4'-P-C4' energy: -87.985 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -104.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1180.043216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.043216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.043216 (E_RNA) where: Base-Base interactions energy: -796.112 where: short stacking energy: -329.434 Base-Backbone interact. energy: -0.704 local terms energy: -383.226636 where: bonds (distance) C4'-P energy: -73.183 bonds (distance) P-C4' energy: -74.334 flat angles C4'-P-C4' energy: -79.185 flat angles P-C4'-P energy: -57.617 tors. eta vs tors. theta energy: -98.908 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: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1147.416803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.416803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.416803 (E_RNA) where: Base-Base interactions energy: -779.351 where: short stacking energy: -335.424 Base-Backbone interact. energy: 0.417 local terms energy: -368.482685 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -71.180 flat angles C4'-P-C4' energy: -76.889 flat angles P-C4'-P energy: -46.071 tors. eta vs tors. theta energy: -105.597 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: 343 Temperature: 1.050000 Total energy: -1110.318701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.318701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.318701 (E_RNA) where: Base-Base interactions energy: -776.009 where: short stacking energy: -303.643 Base-Backbone interact. energy: -1.511 local terms energy: -332.798641 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -77.162 flat angles P-C4'-P energy: -48.166 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: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -966.107175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.107175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.107175 (E_RNA) where: Base-Base interactions energy: -647.122 where: short stacking energy: -254.148 Base-Backbone interact. energy: -1.305 local terms energy: -317.679743 where: bonds (distance) C4'-P energy: -57.781 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -75.787 flat angles P-C4'-P energy: -47.162 tors. eta vs tors. theta energy: -66.155 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: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -919.461582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.461582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.461582 (E_RNA) where: Base-Base interactions energy: -600.498 where: short stacking energy: -257.367 Base-Backbone interact. energy: -1.067 local terms energy: -317.897120 where: bonds (distance) C4'-P energy: -66.861 bonds (distance) P-C4' energy: -58.341 flat angles C4'-P-C4' energy: -74.070 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -68.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -851.061977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.061977 (E_RNA) where: Base-Base interactions energy: -550.936 where: short stacking energy: -243.473 Base-Backbone interact. energy: -0.932 local terms energy: -299.194534 where: bonds (distance) C4'-P energy: -61.999 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -62.373 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -64.094 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: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -559.311085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.311085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.311085 (E_RNA) where: Base-Base interactions energy: -300.459 where: short stacking energy: -142.359 Base-Backbone interact. energy: -1.971 local terms energy: -256.881866 where: bonds (distance) C4'-P energy: -77.246 bonds (distance) P-C4' energy: -70.750 flat angles C4'-P-C4' energy: -52.890 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -20.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -466.375706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.375706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.375706 (E_RNA) where: Base-Base interactions energy: -223.005 where: short stacking energy: -109.077 Base-Backbone interact. energy: -0.524 local terms energy: -242.846440 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -68.723 flat angles C4'-P-C4' energy: -50.463 flat angles P-C4'-P energy: -46.999 tors. eta vs tors. theta energy: -15.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -301.372147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.372147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.372147 (E_RNA) where: Base-Base interactions energy: -81.786 where: short stacking energy: -83.182 Base-Backbone interact. energy: -0.558 local terms energy: -219.027966 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -33.452 tors. eta vs tors. theta energy: -0.576 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: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1255.725658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.725658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.725658 (E_RNA) where: Base-Base interactions energy: -871.442 where: short stacking energy: -354.953 Base-Backbone interact. energy: -1.809 local terms energy: -382.474475 where: bonds (distance) C4'-P energy: -68.719 bonds (distance) P-C4' energy: -70.695 flat angles C4'-P-C4' energy: -83.206 flat angles P-C4'-P energy: -55.343 tors. eta vs tors. theta energy: -104.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1163.752296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.752296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.752296 (E_RNA) where: Base-Base interactions energy: -775.516 where: short stacking energy: -319.035 Base-Backbone interact. energy: 0.063 local terms energy: -388.298896 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -70.715 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -94.821 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: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1122.821270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.821270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.821270 (E_RNA) where: Base-Base interactions energy: -792.155 where: short stacking energy: -315.798 Base-Backbone interact. energy: -1.112 local terms energy: -329.553503 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -49.080 tors. eta vs tors. theta energy: -82.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1107.575930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.575930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.575930 (E_RNA) where: Base-Base interactions energy: -734.367 where: short stacking energy: -323.020 Base-Backbone interact. energy: -0.621 local terms energy: -372.587956 where: bonds (distance) C4'-P energy: -67.454 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -80.779 flat angles P-C4'-P energy: -60.789 tors. eta vs tors. theta energy: -98.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -988.349088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.349088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.349088 (E_RNA) where: Base-Base interactions energy: -665.131 where: short stacking energy: -265.430 Base-Backbone interact. energy: -1.392 local terms energy: -321.826025 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -75.848 flat angles P-C4'-P energy: -48.244 tors. eta vs tors. theta energy: -66.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -912.172477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.172477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.172477 (E_RNA) where: Base-Base interactions energy: -584.905 where: short stacking energy: -263.640 Base-Backbone interact. energy: -1.228 local terms energy: -326.039890 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -82.667 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -65.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -833.421969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.421969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.421969 (E_RNA) where: Base-Base interactions energy: -548.486 where: short stacking energy: -252.591 Base-Backbone interact. energy: -1.462 local terms energy: -283.473867 where: bonds (distance) C4'-P energy: -45.076 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -68.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -563.778987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.778987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.778987 (E_RNA) where: Base-Base interactions energy: -312.721 where: short stacking energy: -145.960 Base-Backbone interact. energy: -1.755 local terms energy: -249.303014 where: bonds (distance) C4'-P energy: -60.404 bonds (distance) P-C4' energy: -48.875 flat angles C4'-P-C4' energy: -73.078 flat angles P-C4'-P energy: -37.632 tors. eta vs tors. theta energy: -29.313 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: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -458.074729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.074729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.074729 (E_RNA) where: Base-Base interactions energy: -235.446 where: short stacking energy: -129.279 Base-Backbone interact. energy: -0.721 local terms energy: -221.908040 where: bonds (distance) C4'-P energy: -54.546 bonds (distance) P-C4' energy: -72.631 flat angles C4'-P-C4' energy: -64.539 flat angles P-C4'-P energy: -19.811 tors. eta vs tors. theta energy: -10.382 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: 344 Temperature: 1.350000 Total energy: -285.688680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.688680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.688680 (E_RNA) where: Base-Base interactions energy: -103.981 where: short stacking energy: -98.316 Base-Backbone interact. energy: 1.199 local terms energy: -182.906938 where: bonds (distance) C4'-P energy: -56.090 bonds (distance) P-C4' energy: -57.413 flat angles C4'-P-C4' energy: -50.891 flat angles P-C4'-P energy: -29.367 tors. eta vs tors. theta energy: 10.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1248.077532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.077532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.077532 (E_RNA) where: Base-Base interactions energy: -873.430 where: short stacking energy: -369.014 Base-Backbone interact. energy: 0.327 local terms energy: -374.973789 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -76.240 flat angles P-C4'-P energy: -60.235 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: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1157.969862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.969862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.969862 (E_RNA) where: Base-Base interactions energy: -809.382 where: short stacking energy: -316.843 Base-Backbone interact. energy: -3.174 local terms energy: -345.413643 where: bonds (distance) C4'-P energy: -64.846 bonds (distance) P-C4' energy: -64.752 flat angles C4'-P-C4' energy: -81.640 flat angles P-C4'-P energy: -48.108 tors. eta vs tors. theta energy: -86.069 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: 345 Temperature: 1.000000 Total energy: -1124.209374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.209374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.209374 (E_RNA) where: Base-Base interactions energy: -764.953 where: short stacking energy: -325.970 Base-Backbone interact. energy: -2.093 local terms energy: -357.163709 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -58.310 flat angles C4'-P-C4' energy: -79.673 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -93.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1108.663240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.663240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.663240 (E_RNA) where: Base-Base interactions energy: -744.361 where: short stacking energy: -314.116 Base-Backbone interact. energy: -1.104 local terms energy: -363.198065 where: bonds (distance) C4'-P energy: -61.115 bonds (distance) P-C4' energy: -71.293 flat angles C4'-P-C4' energy: -79.012 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -97.744 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: 345 Temperature: 1.100000 Total energy: -994.946053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.946053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.946053 (E_RNA) where: Base-Base interactions energy: -681.349 where: short stacking energy: -266.700 Base-Backbone interact. energy: -1.543 local terms energy: -312.054361 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -63.555 flat angles C4'-P-C4' energy: -68.807 flat angles P-C4'-P energy: -41.297 tors. eta vs tors. theta energy: -73.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -886.250451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.250451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.250451 (E_RNA) where: Base-Base interactions energy: -556.631 where: short stacking energy: -252.625 Base-Backbone interact. energy: -0.295 local terms energy: -329.324461 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -71.281 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -39.651 tors. eta vs tors. theta energy: -69.392 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: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -817.731094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.731094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.731094 (E_RNA) where: Base-Base interactions energy: -509.205 where: short stacking energy: -207.070 Base-Backbone interact. energy: -0.181 local terms energy: -308.345465 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -78.684 flat angles C4'-P-C4' energy: -69.739 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -50.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -472.451459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.451459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.451459 (E_RNA) where: Base-Base interactions energy: -241.457 where: short stacking energy: -129.629 Base-Backbone interact. energy: -0.681 local terms energy: -230.313524 where: bonds (distance) C4'-P energy: -57.163 bonds (distance) P-C4' energy: -69.495 flat angles C4'-P-C4' energy: -54.680 flat angles P-C4'-P energy: -40.349 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -525.709293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.709293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.709293 (E_RNA) where: Base-Base interactions energy: -288.363 where: short stacking energy: -146.644 Base-Backbone interact. energy: 0.196 local terms energy: -237.542484 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -59.661 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -11.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -292.648347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.648347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.648347 (E_RNA) where: Base-Base interactions energy: -101.784 where: short stacking energy: -69.232 Base-Backbone interact. energy: 3.540 local terms energy: -194.403635 where: bonds (distance) C4'-P energy: -59.385 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -55.752 flat angles P-C4'-P energy: -29.901 tors. eta vs tors. theta energy: 15.241 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: 346 Temperature: 0.900000 Total energy: -1271.051373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.051373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.051373 (E_RNA) where: Base-Base interactions energy: -877.662 where: short stacking energy: -370.635 Base-Backbone interact. energy: -2.974 local terms energy: -390.415463 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -68.205 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -62.106 tors. eta vs tors. theta energy: -108.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1148.433422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.433422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.433422 (E_RNA) where: Base-Base interactions energy: -796.777 where: short stacking energy: -305.491 Base-Backbone interact. energy: 0.272 local terms energy: -351.927776 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -72.085 flat angles C4'-P-C4' energy: -70.856 flat angles P-C4'-P energy: -53.699 tors. eta vs tors. theta energy: -80.331 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1135.644541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.644541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.644541 (E_RNA) where: Base-Base interactions energy: -772.040 where: short stacking energy: -326.896 Base-Backbone interact. energy: -0.383 local terms energy: -363.220967 where: bonds (distance) C4'-P energy: -67.671 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -74.536 flat angles P-C4'-P energy: -50.556 tors. eta vs tors. theta energy: -103.899 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: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1096.485241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.485241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.485241 (E_RNA) where: Base-Base interactions energy: -752.323 where: short stacking energy: -331.217 Base-Backbone interact. energy: -0.765 local terms energy: -343.397265 where: bonds (distance) C4'-P energy: -60.463 bonds (distance) P-C4' energy: -63.850 flat angles C4'-P-C4' energy: -67.282 flat angles P-C4'-P energy: -64.202 tors. eta vs tors. theta energy: -87.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1009.596721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.596721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.596721 (E_RNA) where: Base-Base interactions energy: -662.184 where: short stacking energy: -265.930 Base-Backbone interact. energy: -1.891 local terms energy: -345.522137 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -80.549 flat angles C4'-P-C4' energy: -77.068 flat angles P-C4'-P energy: -43.183 tors. eta vs tors. theta energy: -74.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -933.749257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.749257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.749257 (E_RNA) where: Base-Base interactions energy: -613.544 where: short stacking energy: -288.658 Base-Backbone interact. energy: -2.084 local terms energy: -318.121074 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -79.691 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -822.983403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.983403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.983403 (E_RNA) where: Base-Base interactions energy: -533.533 where: short stacking energy: -233.439 Base-Backbone interact. energy: -0.919 local terms energy: -288.531162 where: bonds (distance) C4'-P energy: -63.050 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -56.039 flat angles P-C4'-P energy: -36.865 tors. eta vs tors. theta energy: -69.749 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: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -508.266388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.266388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.266388 (E_RNA) where: Base-Base interactions energy: -276.526 where: short stacking energy: -129.810 Base-Backbone interact. energy: -0.514 local terms energy: -231.226122 where: bonds (distance) C4'-P energy: -53.167 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: -10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -513.973888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.973888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.973888 (E_RNA) where: Base-Base interactions energy: -301.561 where: short stacking energy: -139.593 Base-Backbone interact. energy: -0.049 local terms energy: -212.364025 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -63.260 flat angles C4'-P-C4' energy: -61.847 flat angles P-C4'-P energy: -23.968 tors. eta vs tors. theta energy: -9.728 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: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -296.347027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.347027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.347027 (E_RNA) where: Base-Base interactions energy: -107.360 where: short stacking energy: -97.311 Base-Backbone interact. energy: 0.637 local terms energy: -189.624701 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -43.131 flat angles P-C4'-P energy: -35.385 tors. eta vs tors. theta energy: 7.670 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: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1274.094235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.094235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.094235 (E_RNA) where: Base-Base interactions energy: -880.129 where: short stacking energy: -368.593 Base-Backbone interact. energy: -2.496 local terms energy: -391.469511 where: bonds (distance) C4'-P energy: -77.616 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -89.177 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: -105.018 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: 347 Temperature: 0.950000 Total energy: -1147.904409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.904409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.904409 (E_RNA) where: Base-Base interactions energy: -784.102 where: short stacking energy: -318.965 Base-Backbone interact. energy: 1.028 local terms energy: -364.830937 where: bonds (distance) C4'-P energy: -58.616 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -83.507 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -103.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1149.514553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.514553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.514553 (E_RNA) where: Base-Base interactions energy: -811.588 where: short stacking energy: -315.388 Base-Backbone interact. energy: 4.085 local terms energy: -342.011499 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -68.294 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -46.281 tors. eta vs tors. theta energy: -84.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1105.456468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.456468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.456468 (E_RNA) where: Base-Base interactions energy: -748.978 where: short stacking energy: -321.927 Base-Backbone interact. energy: 1.232 local terms energy: -357.710066 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -94.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -997.178048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.178048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.178048 (E_RNA) where: Base-Base interactions energy: -688.676 where: short stacking energy: -276.696 Base-Backbone interact. energy: -1.305 local terms energy: -307.197350 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: -71.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -897.994725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.994725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.994725 (E_RNA) where: Base-Base interactions energy: -599.057 where: short stacking energy: -255.313 Base-Backbone interact. energy: -1.395 local terms energy: -297.542500 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -64.050 flat angles P-C4'-P energy: -47.020 tors. eta vs tors. theta energy: -59.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -845.382756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.382756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.382756 (E_RNA) where: Base-Base interactions energy: -557.101 where: short stacking energy: -227.227 Base-Backbone interact. energy: -1.483 local terms energy: -286.798357 where: bonds (distance) C4'-P energy: -54.771 bonds (distance) P-C4' energy: -73.302 flat angles C4'-P-C4' energy: -56.599 flat angles P-C4'-P energy: -45.088 tors. eta vs tors. theta energy: -57.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -505.314461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.314461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.314461 (E_RNA) where: Base-Base interactions energy: -260.342 where: short stacking energy: -152.701 Base-Backbone interact. energy: 0.096 local terms energy: -245.068646 where: bonds (distance) C4'-P energy: -62.342 bonds (distance) P-C4' energy: -64.961 flat angles C4'-P-C4' energy: -66.852 flat angles P-C4'-P energy: -33.674 tors. eta vs tors. theta energy: -17.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -476.324995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.324995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.324995 (E_RNA) where: Base-Base interactions energy: -261.450 where: short stacking energy: -128.413 Base-Backbone interact. energy: -0.667 local terms energy: -214.207228 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -54.786 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -289.064790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.064790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.064790 (E_RNA) where: Base-Base interactions energy: -99.365 where: short stacking energy: -91.334 Base-Backbone interact. energy: 3.875 local terms energy: -193.575010 where: bonds (distance) C4'-P energy: -56.964 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -50.213 flat angles P-C4'-P energy: -33.481 tors. eta vs tors. theta energy: 6.578 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: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1285.416213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.416213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.416213 (E_RNA) where: Base-Base interactions energy: -894.172 where: short stacking energy: -373.416 Base-Backbone interact. energy: -2.277 local terms energy: -388.966804 where: bonds (distance) C4'-P energy: -69.024 bonds (distance) P-C4' energy: -77.330 flat angles C4'-P-C4' energy: -86.199 flat angles P-C4'-P energy: -54.064 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: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1165.477330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.477330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.477330 (E_RNA) where: Base-Base interactions energy: -796.451 where: short stacking energy: -322.681 Base-Backbone interact. energy: -1.248 local terms energy: -367.778035 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -80.372 flat angles P-C4'-P energy: -56.623 tors. eta vs tors. theta energy: -93.336 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: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1138.323767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.323767 (E_RNA) where: Base-Base interactions energy: -782.139 where: short stacking energy: -337.298 Base-Backbone interact. energy: 0.023 local terms energy: -356.207353 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -77.575 flat angles C4'-P-C4' energy: -78.578 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -96.061 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: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1119.141652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.141652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.141652 (E_RNA) where: Base-Base interactions energy: -749.365 where: short stacking energy: -301.043 Base-Backbone interact. energy: -0.921 local terms energy: -368.856211 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -52.294 tors. eta vs tors. theta energy: -88.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1029.530543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.530543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.530543 (E_RNA) where: Base-Base interactions energy: -682.405 where: short stacking energy: -308.692 Base-Backbone interact. energy: -1.183 local terms energy: -345.943034 where: bonds (distance) C4'-P energy: -64.748 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -89.143 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: 6, replica: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -908.612464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.612464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.612464 (E_RNA) where: Base-Base interactions energy: -602.677 where: short stacking energy: -268.539 Base-Backbone interact. energy: -0.796 local terms energy: -305.139377 where: bonds (distance) C4'-P energy: -62.012 bonds (distance) P-C4' energy: -57.096 flat angles C4'-P-C4' energy: -62.956 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -71.627 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: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -871.709787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.709787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.709787 (E_RNA) where: Base-Base interactions energy: -583.467 where: short stacking energy: -227.115 Base-Backbone interact. energy: 1.180 local terms energy: -289.422688 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -62.651 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -60.025 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: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -497.713787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.713787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.713787 (E_RNA) where: Base-Base interactions energy: -241.904 where: short stacking energy: -127.430 Base-Backbone interact. energy: -1.252 local terms energy: -254.557463 where: bonds (distance) C4'-P energy: -64.199 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -6.400 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -472.201787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.201787 (E_RNA) where: Base-Base interactions energy: -234.608 where: short stacking energy: -115.603 Base-Backbone interact. energy: -2.818 local terms energy: -234.775909 where: bonds (distance) C4'-P energy: -70.675 bonds (distance) P-C4' energy: -64.473 flat angles C4'-P-C4' energy: -59.693 flat angles P-C4'-P energy: -27.176 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -313.459198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.459198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.459198 (E_RNA) where: Base-Base interactions energy: -111.819 where: short stacking energy: -74.506 Base-Backbone interact. energy: 1.367 local terms energy: -203.007169 where: bonds (distance) C4'-P energy: -46.676 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -52.248 flat angles P-C4'-P energy: -37.302 tors. eta vs tors. theta energy: -0.066 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: 349 Temperature: 0.900000 Total energy: -1269.021657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.021657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.021657 (E_RNA) where: Base-Base interactions energy: -880.348 where: short stacking energy: -352.425 Base-Backbone interact. energy: -2.778 local terms energy: -385.896125 where: bonds (distance) C4'-P energy: -78.768 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -80.232 flat angles P-C4'-P energy: -53.688 tors. eta vs tors. theta energy: -104.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1155.354029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.354029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.354029 (E_RNA) where: Base-Base interactions energy: -791.576 where: short stacking energy: -321.715 Base-Backbone interact. energy: -1.432 local terms energy: -362.346202 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -68.628 flat angles C4'-P-C4' energy: -78.108 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -101.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1149.833092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.833092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.833092 (E_RNA) where: Base-Base interactions energy: -781.093 where: short stacking energy: -312.381 Base-Backbone interact. energy: 4.045 local terms energy: -372.784965 where: bonds (distance) C4'-P energy: -73.056 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -84.295 flat angles P-C4'-P energy: -52.806 tors. eta vs tors. theta energy: -86.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1108.892322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.892322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.892322 (E_RNA) where: Base-Base interactions energy: -784.517 where: short stacking energy: -308.632 Base-Backbone interact. energy: -1.779 local terms energy: -322.596051 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -69.177 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -77.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -998.939555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.939555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.939555 (E_RNA) where: Base-Base interactions energy: -670.281 where: short stacking energy: -280.759 Base-Backbone interact. energy: -1.153 local terms energy: -327.505101 where: bonds (distance) C4'-P energy: -62.164 bonds (distance) P-C4' energy: -53.104 flat angles C4'-P-C4' energy: -72.422 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -85.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -834.368328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.368328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.368328 (E_RNA) where: Base-Base interactions energy: -538.333 where: short stacking energy: -248.068 Base-Backbone interact. energy: 0.209 local terms energy: -296.245096 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -57.568 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -61.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -840.936425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.936425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.936425 (E_RNA) where: Base-Base interactions energy: -548.429 where: short stacking energy: -246.315 Base-Backbone interact. energy: 0.458 local terms energy: -292.966124 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -60.726 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -63.269 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: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -557.168749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.168749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.168749 (E_RNA) where: Base-Base interactions energy: -313.454 where: short stacking energy: -166.183 Base-Backbone interact. energy: -1.431 local terms energy: -242.283632 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: -23.677 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: 349 Temperature: 1.300000 Total energy: -504.261655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.261655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.261655 (E_RNA) where: Base-Base interactions energy: -252.700 where: short stacking energy: -149.392 Base-Backbone interact. energy: 1.225 local terms energy: -252.787073 where: bonds (distance) C4'-P energy: -57.823 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -66.949 flat angles P-C4'-P energy: -39.368 tors. eta vs tors. theta energy: -24.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -276.008266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.008266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.008266 (E_RNA) where: Base-Base interactions energy: -89.160 where: short stacking energy: -55.607 Base-Backbone interact. energy: -1.340 local terms energy: -185.508552 where: bonds (distance) C4'-P energy: -57.408 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -62.884 flat angles P-C4'-P energy: -23.246 tors. eta vs tors. theta energy: 22.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1243.376492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.376492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.376492 (E_RNA) where: Base-Base interactions energy: -866.984 where: short stacking energy: -371.235 Base-Backbone interact. energy: 0.207 local terms energy: -376.599954 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: -104.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1154.196980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.196980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.196980 (E_RNA) where: Base-Base interactions energy: -782.669 where: short stacking energy: -314.279 Base-Backbone interact. energy: -0.265 local terms energy: -371.263031 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -77.535 flat angles P-C4'-P energy: -51.990 tors. eta vs tors. theta energy: -98.129 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1164.302299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.302299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.302299 (E_RNA) where: Base-Base interactions energy: -789.990 where: short stacking energy: -329.113 Base-Backbone interact. energy: 1.214 local terms energy: -375.526768 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -85.586 flat angles P-C4'-P energy: -53.471 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: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1099.290701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.290701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.290701 (E_RNA) where: Base-Base interactions energy: -752.620 where: short stacking energy: -311.219 Base-Backbone interact. energy: -0.321 local terms energy: -346.349126 where: bonds (distance) C4'-P energy: -63.643 bonds (distance) P-C4' energy: -72.757 flat angles C4'-P-C4' energy: -76.081 flat angles P-C4'-P energy: -43.416 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1004.833437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.833437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.833437 (E_RNA) where: Base-Base interactions energy: -655.277 where: short stacking energy: -284.648 Base-Backbone interact. energy: -1.270 local terms energy: -348.286243 where: bonds (distance) C4'-P energy: -65.943 bonds (distance) P-C4' energy: -68.398 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -51.769 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: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -844.964790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.964790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.964790 (E_RNA) where: Base-Base interactions energy: -544.338 where: short stacking energy: -246.149 Base-Backbone interact. energy: -1.342 local terms energy: -299.284020 where: bonds (distance) C4'-P energy: -57.995 bonds (distance) P-C4' energy: -61.359 flat angles C4'-P-C4' energy: -64.582 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -68.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -839.422193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.422193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.422193 (E_RNA) where: Base-Base interactions energy: -538.783 where: short stacking energy: -232.424 Base-Backbone interact. energy: -0.161 local terms energy: -300.478254 where: bonds (distance) C4'-P energy: -55.954 bonds (distance) P-C4' energy: -72.427 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -64.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -564.416964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.416964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.416964 (E_RNA) where: Base-Base interactions energy: -313.523 where: short stacking energy: -160.578 Base-Backbone interact. energy: -0.081 local terms energy: -250.813542 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -67.770 flat angles C4'-P-C4' energy: -64.514 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -24.858 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: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -482.321219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.321219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.321219 (E_RNA) where: Base-Base interactions energy: -264.066 where: short stacking energy: -134.815 Base-Backbone interact. energy: 0.154 local terms energy: -218.408274 where: bonds (distance) C4'-P energy: -60.103 bonds (distance) P-C4' energy: -62.772 flat angles C4'-P-C4' energy: -45.686 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -317.890386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.890386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.890386 (E_RNA) where: Base-Base interactions energy: -122.601 where: short stacking energy: -83.495 Base-Backbone interact. energy: -1.458 local terms energy: -193.831791 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -62.384 flat angles C4'-P-C4' energy: -45.788 flat angles P-C4'-P energy: -26.359 tors. eta vs tors. theta energy: 3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1252.347390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.347390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.347390 (E_RNA) where: Base-Base interactions energy: -861.870 where: short stacking energy: -368.365 Base-Backbone interact. energy: -2.535 local terms energy: -387.942355 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -66.099 flat angles C4'-P-C4' energy: -83.961 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -106.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1151.537093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.537093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.537093 (E_RNA) where: Base-Base interactions energy: -780.558 where: short stacking energy: -333.257 Base-Backbone interact. energy: -2.103 local terms energy: -368.876191 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -66.817 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -50.429 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: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1140.142470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.142470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.142470 (E_RNA) where: Base-Base interactions energy: -762.384 where: short stacking energy: -339.585 Base-Backbone interact. energy: 0.153 local terms energy: -377.911703 where: bonds (distance) C4'-P energy: -71.179 bonds (distance) P-C4' energy: -69.444 flat angles C4'-P-C4' energy: -82.141 flat angles P-C4'-P energy: -53.899 tors. eta vs tors. theta energy: -101.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1056.774086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.774086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.774086 (E_RNA) where: Base-Base interactions energy: -727.295 where: short stacking energy: -286.209 Base-Backbone interact. energy: -1.268 local terms energy: -328.211255 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -54.964 flat angles C4'-P-C4' energy: -80.323 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -79.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1013.405949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.405949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.405949 (E_RNA) where: Base-Base interactions energy: -687.931 where: short stacking energy: -294.855 Base-Backbone interact. energy: -0.149 local terms energy: -325.326034 where: bonds (distance) C4'-P energy: -64.746 bonds (distance) P-C4' energy: -50.316 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: -78.525 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: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -890.624257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.624257 (E_RNA) where: Base-Base interactions energy: -596.924 where: short stacking energy: -260.240 Base-Backbone interact. energy: 0.573 local terms energy: -294.272850 where: bonds (distance) C4'-P energy: -50.098 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -71.423 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: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -793.439713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.439713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.439713 (E_RNA) where: Base-Base interactions energy: -519.468 where: short stacking energy: -219.679 Base-Backbone interact. energy: -0.598 local terms energy: -273.373713 where: bonds (distance) C4'-P energy: -59.381 bonds (distance) P-C4' energy: -66.626 flat angles C4'-P-C4' energy: -59.533 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -46.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -522.290327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.290327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.290327 (E_RNA) where: Base-Base interactions energy: -283.014 where: short stacking energy: -142.084 Base-Backbone interact. energy: 4.050 local terms energy: -243.325704 where: bonds (distance) C4'-P energy: -58.420 bonds (distance) P-C4' energy: -66.965 flat angles C4'-P-C4' energy: -54.145 flat angles P-C4'-P energy: -43.030 tors. eta vs tors. theta energy: -20.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -472.645630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.645630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.645630 (E_RNA) where: Base-Base interactions energy: -248.679 where: short stacking energy: -145.924 Base-Backbone interact. energy: -2.148 local terms energy: -221.818648 where: bonds (distance) C4'-P energy: -56.225 bonds (distance) P-C4' energy: -58.387 flat angles C4'-P-C4' energy: -52.019 flat angles P-C4'-P energy: -37.507 tors. eta vs tors. theta energy: -17.681 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: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -297.450298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.450298 (E_RNA) where: Base-Base interactions energy: -104.955 where: short stacking energy: -72.882 Base-Backbone interact. energy: -1.835 local terms energy: -190.660242 where: bonds (distance) C4'-P energy: -67.444 bonds (distance) P-C4' energy: -51.932 flat angles C4'-P-C4' energy: -54.051 flat angles P-C4'-P energy: -28.735 tors. eta vs tors. theta energy: 11.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1255.875003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.875003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.875003 (E_RNA) where: Base-Base interactions energy: -868.334 where: short stacking energy: -356.259 Base-Backbone interact. energy: -3.420 local terms energy: -384.120408 where: bonds (distance) C4'-P energy: -74.453 bonds (distance) P-C4' energy: -75.401 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -108.677 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: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1182.810106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.810106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.810106 (E_RNA) where: Base-Base interactions energy: -811.854 where: short stacking energy: -333.615 Base-Backbone interact. energy: -1.319 local terms energy: -369.636490 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -74.897 flat angles P-C4'-P energy: -53.883 tors. eta vs tors. theta energy: -104.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1135.649357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.649357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.649357 (E_RNA) where: Base-Base interactions energy: -776.089 where: short stacking energy: -320.156 Base-Backbone interact. energy: 0.592 local terms energy: -360.152302 where: bonds (distance) C4'-P energy: -68.965 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -52.388 tors. eta vs tors. theta energy: -88.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1064.277563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.277563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.277563 (E_RNA) where: Base-Base interactions energy: -703.591 where: short stacking energy: -291.419 Base-Backbone interact. energy: -1.539 local terms energy: -359.148339 where: bonds (distance) C4'-P energy: -75.176 bonds (distance) P-C4' energy: -78.616 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -74.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1012.708346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.708346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.708346 (E_RNA) where: Base-Base interactions energy: -663.033 where: short stacking energy: -293.220 Base-Backbone interact. energy: -1.986 local terms energy: -347.689859 where: bonds (distance) C4'-P energy: -75.908 bonds (distance) P-C4' energy: -68.054 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -83.847 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: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -902.247988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.247988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.247988 (E_RNA) where: Base-Base interactions energy: -577.335 where: short stacking energy: -252.926 Base-Backbone interact. energy: -1.889 local terms energy: -323.023597 where: bonds (distance) C4'-P energy: -62.860 bonds (distance) P-C4' energy: -59.106 flat angles C4'-P-C4' energy: -74.418 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -71.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -780.181082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.181082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.181082 (E_RNA) where: Base-Base interactions energy: -504.316 where: short stacking energy: -210.592 Base-Backbone interact. energy: -0.217 local terms energy: -275.648274 where: bonds (distance) C4'-P energy: -66.095 bonds (distance) P-C4' energy: -54.400 flat angles C4'-P-C4' energy: -60.806 flat angles P-C4'-P energy: -45.337 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: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -556.823430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.823430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.823430 (E_RNA) where: Base-Base interactions energy: -303.498 where: short stacking energy: -155.852 Base-Backbone interact. energy: -1.123 local terms energy: -252.203224 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -74.154 flat angles P-C4'-P energy: -30.657 tors. eta vs tors. theta energy: -25.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -483.408091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.408091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.408091 (E_RNA) where: Base-Base interactions energy: -241.572 where: short stacking energy: -120.703 Base-Backbone interact. energy: 0.759 local terms energy: -242.595741 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -58.326 flat angles P-C4'-P energy: -25.870 tors. eta vs tors. theta energy: -20.487 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: 352 Temperature: 1.350000 Total energy: -326.286280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.286280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.286280 (E_RNA) where: Base-Base interactions energy: -108.351 where: short stacking energy: -83.999 Base-Backbone interact. energy: 0.544 local terms energy: -218.479195 where: bonds (distance) C4'-P energy: -75.361 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -60.377 flat angles P-C4'-P energy: -25.146 tors. eta vs tors. theta energy: 2.852 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: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1255.260323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.260323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.260323 (E_RNA) where: Base-Base interactions energy: -859.987 where: short stacking energy: -366.163 Base-Backbone interact. energy: -2.206 local terms energy: -393.067284 where: bonds (distance) C4'-P energy: -75.541 bonds (distance) P-C4' energy: -78.760 flat angles C4'-P-C4' energy: -82.544 flat angles P-C4'-P energy: -52.824 tors. eta vs tors. theta energy: -103.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1173.828784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.828784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.828784 (E_RNA) where: Base-Base interactions energy: -812.809 where: short stacking energy: -339.266 Base-Backbone interact. energy: 3.792 local terms energy: -364.812171 where: bonds (distance) C4'-P energy: -69.320 bonds (distance) P-C4' energy: -69.350 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -46.758 tors. eta vs tors. theta energy: -103.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1153.469429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.469429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.469429 (E_RNA) where: Base-Base interactions energy: -793.804 where: short stacking energy: -315.095 Base-Backbone interact. energy: -3.340 local terms energy: -356.326093 where: bonds (distance) C4'-P energy: -69.766 bonds (distance) P-C4' energy: -58.229 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: -94.246 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: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1072.849254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.849254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.849254 (E_RNA) where: Base-Base interactions energy: -756.648 where: short stacking energy: -290.457 Base-Backbone interact. energy: -0.245 local terms energy: -315.956073 where: bonds (distance) C4'-P energy: -46.849 bonds (distance) P-C4' energy: -75.936 flat angles C4'-P-C4' energy: -69.899 flat angles P-C4'-P energy: -51.387 tors. eta vs tors. theta energy: -71.884 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: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1014.087096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.087096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.087096 (E_RNA) where: Base-Base interactions energy: -701.064 where: short stacking energy: -294.438 Base-Backbone interact. energy: 1.566 local terms energy: -314.589600 where: bonds (distance) C4'-P energy: -64.695 bonds (distance) P-C4' energy: -62.649 flat angles C4'-P-C4' energy: -58.680 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -84.845 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: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -903.838499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.838499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.838499 (E_RNA) where: Base-Base interactions energy: -602.307 where: short stacking energy: -259.337 Base-Backbone interact. energy: -0.775 local terms energy: -300.756282 where: bonds (distance) C4'-P energy: -53.360 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -45.692 tors. eta vs tors. theta energy: -69.921 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: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -779.251136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.251136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.251136 (E_RNA) where: Base-Base interactions energy: -513.058 where: short stacking energy: -207.717 Base-Backbone interact. energy: 2.226 local terms energy: -268.419600 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -53.604 flat angles C4'-P-C4' energy: -58.678 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -45.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -562.549817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.549817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.549817 (E_RNA) where: Base-Base interactions energy: -298.375 where: short stacking energy: -134.277 Base-Backbone interact. energy: -0.697 local terms energy: -263.477911 where: bonds (distance) C4'-P energy: -64.135 bonds (distance) P-C4' energy: -76.544 flat angles C4'-P-C4' energy: -69.370 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -503.242628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.242628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.242628 (E_RNA) where: Base-Base interactions energy: -263.570 where: short stacking energy: -137.885 Base-Backbone interact. energy: 1.584 local terms energy: -241.256783 where: bonds (distance) C4'-P energy: -70.567 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -56.562 flat angles P-C4'-P energy: -34.086 tors. eta vs tors. theta energy: -16.486 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: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -279.523621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.523621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.523621 (E_RNA) where: Base-Base interactions energy: -90.182 where: short stacking energy: -79.175 Base-Backbone interact. energy: -0.137 local terms energy: -189.204384 where: bonds (distance) C4'-P energy: -65.084 bonds (distance) P-C4' energy: -69.255 flat angles C4'-P-C4' energy: -41.130 flat angles P-C4'-P energy: -27.976 tors. eta vs tors. theta energy: 14.241 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: 354 Temperature: 0.900000 Total energy: -1264.449923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.449923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.449923 (E_RNA) where: Base-Base interactions energy: -870.497 where: short stacking energy: -367.083 Base-Backbone interact. energy: -0.441 local terms energy: -393.512062 where: bonds (distance) C4'-P energy: -71.093 bonds (distance) P-C4' energy: -76.684 flat angles C4'-P-C4' energy: -83.771 flat angles P-C4'-P energy: -52.578 tors. eta vs tors. theta energy: -109.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1170.737040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.737040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.737040 (E_RNA) where: Base-Base interactions energy: -794.109 where: short stacking energy: -338.265 Base-Backbone interact. energy: -0.694 local terms energy: -375.933718 where: bonds (distance) C4'-P energy: -71.152 bonds (distance) P-C4' energy: -78.383 flat angles C4'-P-C4' energy: -80.914 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -100.815 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: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1129.842509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.842509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.842509 (E_RNA) where: Base-Base interactions energy: -761.457 where: short stacking energy: -316.089 Base-Backbone interact. energy: 0.559 local terms energy: -368.944373 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -70.830 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -95.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1109.387023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.387023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.387023 (E_RNA) where: Base-Base interactions energy: -767.341 where: short stacking energy: -318.291 Base-Backbone interact. energy: -0.260 local terms energy: -341.785337 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -71.110 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -81.452 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: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -976.501974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.501974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.501974 (E_RNA) where: Base-Base interactions energy: -649.978 where: short stacking energy: -272.542 Base-Backbone interact. energy: -1.662 local terms energy: -324.862157 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -79.346 flat angles C4'-P-C4' energy: -67.380 flat angles P-C4'-P energy: -40.624 tors. eta vs tors. theta energy: -68.900 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: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -909.617726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.617726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.617726 (E_RNA) where: Base-Base interactions energy: -592.917 where: short stacking energy: -259.301 Base-Backbone interact. energy: 0.707 local terms energy: -317.407779 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -81.868 flat angles P-C4'-P energy: -43.868 tors. eta vs tors. theta energy: -78.538 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: 354 Temperature: 1.200000 Total energy: -810.269798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.269798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.269798 (E_RNA) where: Base-Base interactions energy: -547.250 where: short stacking energy: -227.581 Base-Backbone interact. energy: -1.097 local terms energy: -261.922679 where: bonds (distance) C4'-P energy: -49.293 bonds (distance) P-C4' energy: -64.372 flat angles C4'-P-C4' energy: -63.791 flat angles P-C4'-P energy: -34.586 tors. eta vs tors. theta energy: -49.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -540.376260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.376260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.376260 (E_RNA) where: Base-Base interactions energy: -314.468 where: short stacking energy: -166.226 Base-Backbone interact. energy: -0.186 local terms energy: -225.722722 where: bonds (distance) C4'-P energy: -62.906 bonds (distance) P-C4' energy: -68.913 flat angles C4'-P-C4' energy: -52.539 flat angles P-C4'-P energy: -13.495 tors. eta vs tors. theta energy: -27.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -477.070941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.070941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.070941 (E_RNA) where: Base-Base interactions energy: -250.495 where: short stacking energy: -134.704 Base-Backbone interact. energy: -2.383 local terms energy: -224.193691 where: bonds (distance) C4'-P energy: -51.877 bonds (distance) P-C4' energy: -58.911 flat angles C4'-P-C4' energy: -65.103 flat angles P-C4'-P energy: -33.705 tors. eta vs tors. theta energy: -14.598 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: 354 Temperature: 1.350000 Total energy: -277.049139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.049139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.049139 (E_RNA) where: Base-Base interactions energy: -95.187 where: short stacking energy: -76.769 Base-Backbone interact. energy: 2.015 local terms energy: -183.877688 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -34.450 flat angles P-C4'-P energy: -40.424 tors. eta vs tors. theta energy: 13.686 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: 1, replica: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1259.499026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.499026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.499026 (E_RNA) where: Base-Base interactions energy: -889.074 where: short stacking energy: -350.386 Base-Backbone interact. energy: 5.814 local terms energy: -376.238619 where: bonds (distance) C4'-P energy: -72.658 bonds (distance) P-C4' energy: -78.537 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -103.079 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: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1175.516438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.516438 (E_RNA) where: Base-Base interactions energy: -819.776 where: short stacking energy: -323.511 Base-Backbone interact. energy: -1.070 local terms energy: -354.670397 where: bonds (distance) C4'-P energy: -70.240 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -75.020 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: -96.585 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: 355 Temperature: 1.000000 Total energy: -1119.471104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.471104 (E_RNA) where: Base-Base interactions energy: -777.090 where: short stacking energy: -312.229 Base-Backbone interact. energy: -2.403 local terms energy: -339.977877 where: bonds (distance) C4'-P energy: -55.262 bonds (distance) P-C4' energy: -73.194 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -46.150 tors. eta vs tors. theta energy: -94.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1123.490192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.490192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.490192 (E_RNA) where: Base-Base interactions energy: -783.913 where: short stacking energy: -305.304 Base-Backbone interact. energy: -1.176 local terms energy: -338.400945 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -68.040 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -45.369 tors. eta vs tors. theta energy: -87.800 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -960.267438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.267438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.267438 (E_RNA) where: Base-Base interactions energy: -664.517 where: short stacking energy: -289.683 Base-Backbone interact. energy: -1.842 local terms energy: -293.908102 where: bonds (distance) C4'-P energy: -53.108 bonds (distance) P-C4' energy: -62.204 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: -72.270 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: 355 Temperature: 1.150000 Total energy: -886.285393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.285393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.285393 (E_RNA) where: Base-Base interactions energy: -578.756 where: short stacking energy: -254.689 Base-Backbone interact. energy: -0.045 local terms energy: -307.484281 where: bonds (distance) C4'-P energy: -55.672 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -70.532 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -69.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -842.912466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.912466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.912466 (E_RNA) where: Base-Base interactions energy: -561.169 where: short stacking energy: -223.338 Base-Backbone interact. energy: -0.046 local terms energy: -281.697754 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -36.888 tors. eta vs tors. theta energy: -54.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -476.189203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.189203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.189203 (E_RNA) where: Base-Base interactions energy: -243.145 where: short stacking energy: -144.996 Base-Backbone interact. energy: -0.285 local terms energy: -232.759522 where: bonds (distance) C4'-P energy: -58.704 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -49.279 flat angles P-C4'-P energy: -39.117 tors. eta vs tors. theta energy: -24.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -497.217111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.217111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.217111 (E_RNA) where: Base-Base interactions energy: -275.986 where: short stacking energy: -136.557 Base-Backbone interact. energy: -1.233 local terms energy: -219.997664 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -60.681 flat angles C4'-P-C4' energy: -45.268 flat angles P-C4'-P energy: -28.632 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -305.175266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.175266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.175266 (E_RNA) where: Base-Base interactions energy: -107.124 where: short stacking energy: -79.743 Base-Backbone interact. energy: -0.787 local terms energy: -197.264287 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -61.440 flat angles C4'-P-C4' energy: -51.909 flat angles P-C4'-P energy: -21.625 tors. eta vs tors. theta energy: 7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1265.744024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.744024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.744024 (E_RNA) where: Base-Base interactions energy: -888.216 where: short stacking energy: -372.914 Base-Backbone interact. energy: -0.527 local terms energy: -377.001145 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -79.942 flat angles P-C4'-P energy: -46.702 tors. eta vs tors. theta energy: -110.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1175.947584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.947584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.947584 (E_RNA) where: Base-Base interactions energy: -808.680 where: short stacking energy: -334.754 Base-Backbone interact. energy: 0.980 local terms energy: -368.247448 where: bonds (distance) C4'-P energy: -78.673 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -82.123 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -90.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1118.228225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.228225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.228225 (E_RNA) where: Base-Base interactions energy: -779.281 where: short stacking energy: -320.486 Base-Backbone interact. energy: -5.195 local terms energy: -333.753047 where: bonds (distance) C4'-P energy: -67.623 bonds (distance) P-C4' energy: -60.161 flat angles C4'-P-C4' energy: -66.497 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -91.246 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: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1113.215407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.215407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.215407 (E_RNA) where: Base-Base interactions energy: -791.380 where: short stacking energy: -328.567 Base-Backbone interact. energy: -2.619 local terms energy: -319.216180 where: bonds (distance) C4'-P energy: -45.493 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -84.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -975.149110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.149110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.149110 (E_RNA) where: Base-Base interactions energy: -674.250 where: short stacking energy: -262.613 Base-Backbone interact. energy: -2.066 local terms energy: -298.833025 where: bonds (distance) C4'-P energy: -58.431 bonds (distance) P-C4' energy: -60.728 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -67.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -920.519702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.519702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.519702 (E_RNA) where: Base-Base interactions energy: -590.652 where: short stacking energy: -232.253 Base-Backbone interact. energy: 0.608 local terms energy: -330.474792 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -48.551 tors. eta vs tors. theta energy: -74.126 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: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -809.007314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.007314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.007314 (E_RNA) where: Base-Base interactions energy: -526.759 where: short stacking energy: -220.095 Base-Backbone interact. energy: -0.878 local terms energy: -281.370430 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -74.753 flat angles C4'-P-C4' energy: -64.956 flat angles P-C4'-P energy: -30.901 tors. eta vs tors. theta energy: -50.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -520.385752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.385752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.385752 (E_RNA) where: Base-Base interactions energy: -302.842 where: short stacking energy: -128.442 Base-Backbone interact. energy: 4.448 local terms energy: -221.991439 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -61.175 flat angles C4'-P-C4' energy: -60.031 flat angles P-C4'-P energy: -25.900 tors. eta vs tors. theta energy: -19.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -465.108136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.108136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.108136 (E_RNA) where: Base-Base interactions energy: -252.987 where: short stacking energy: -125.711 Base-Backbone interact. energy: 0.135 local terms energy: -212.255375 where: bonds (distance) C4'-P energy: -55.455 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: 2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -279.756998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.756998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.756998 (E_RNA) where: Base-Base interactions energy: -111.536 where: short stacking energy: -102.878 Base-Backbone interact. energy: -1.297 local terms energy: -166.924035 where: bonds (distance) C4'-P energy: -55.294 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -39.451 flat angles P-C4'-P energy: -24.216 tors. eta vs tors. theta energy: 12.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1255.299864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.299864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.299864 (E_RNA) where: Base-Base interactions energy: -871.625 where: short stacking energy: -362.575 Base-Backbone interact. energy: -1.077 local terms energy: -382.597134 where: bonds (distance) C4'-P energy: -77.541 bonds (distance) P-C4' energy: -72.354 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -54.780 tors. eta vs tors. theta energy: -99.295 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: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1167.308575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.308575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.308575 (E_RNA) where: Base-Base interactions energy: -797.673 where: short stacking energy: -341.880 Base-Backbone interact. energy: 0.964 local terms energy: -370.599849 where: bonds (distance) C4'-P energy: -72.007 bonds (distance) P-C4' energy: -74.949 flat angles C4'-P-C4' energy: -71.931 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -101.356 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: 357 Temperature: 1.000000 Total energy: -1136.130223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.130223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.130223 (E_RNA) where: Base-Base interactions energy: -777.790 where: short stacking energy: -326.482 Base-Backbone interact. energy: -0.827 local terms energy: -357.512792 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -74.455 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: -89.601 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: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -996.159762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.159762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.159762 (E_RNA) where: Base-Base interactions energy: -671.831 where: short stacking energy: -303.355 Base-Backbone interact. energy: 0.707 local terms energy: -325.035184 where: bonds (distance) C4'-P energy: -69.965 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -50.428 tors. eta vs tors. theta energy: -77.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1056.313181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.313181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.313181 (E_RNA) where: Base-Base interactions energy: -735.300 where: short stacking energy: -287.250 Base-Backbone interact. energy: -1.755 local terms energy: -319.258153 where: bonds (distance) C4'-P energy: -57.246 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -38.838 tors. eta vs tors. theta energy: -78.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -910.449697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.449697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.449697 (E_RNA) where: Base-Base interactions energy: -590.245 where: short stacking energy: -252.346 Base-Backbone interact. energy: -2.252 local terms energy: -317.952129 where: bonds (distance) C4'-P energy: -63.019 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -76.805 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -54.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -804.883042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.883042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.883042 (E_RNA) where: Base-Base interactions energy: -516.367 where: short stacking energy: -205.342 Base-Backbone interact. energy: -1.967 local terms energy: -286.548898 where: bonds (distance) C4'-P energy: -63.497 bonds (distance) P-C4' energy: -63.927 flat angles C4'-P-C4' energy: -57.394 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -51.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -547.561564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.561564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.561564 (E_RNA) where: Base-Base interactions energy: -304.840 where: short stacking energy: -136.841 Base-Backbone interact. energy: -1.547 local terms energy: -241.174532 where: bonds (distance) C4'-P energy: -54.570 bonds (distance) P-C4' energy: -73.930 flat angles C4'-P-C4' energy: -57.459 flat angles P-C4'-P energy: -37.633 tors. eta vs tors. theta energy: -17.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -486.871939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.871939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.871939 (E_RNA) where: Base-Base interactions energy: -254.571 where: short stacking energy: -151.993 Base-Backbone interact. energy: 8.295 local terms energy: -240.596145 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -64.396 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -17.218 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: 357 Temperature: 1.350000 Total energy: -302.609888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.609888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.609888 (E_RNA) where: Base-Base interactions energy: -114.726 where: short stacking energy: -69.350 Base-Backbone interact. energy: 3.795 local terms energy: -191.679509 where: bonds (distance) C4'-P energy: -71.558 bonds (distance) P-C4' energy: -59.782 flat angles C4'-P-C4' energy: -42.313 flat angles P-C4'-P energy: -24.640 tors. eta vs tors. theta energy: 6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1261.995391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.995391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.995391 (E_RNA) where: Base-Base interactions energy: -880.805 where: short stacking energy: -371.966 Base-Backbone interact. energy: -0.687 local terms energy: -380.502910 where: bonds (distance) C4'-P energy: -65.638 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -79.115 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -108.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1164.207319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.207319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.207319 (E_RNA) where: Base-Base interactions energy: -802.146 where: short stacking energy: -332.932 Base-Backbone interact. energy: -3.282 local terms energy: -358.779749 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -73.710 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -52.381 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: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1130.708449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.708449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.708449 (E_RNA) where: Base-Base interactions energy: -778.783 where: short stacking energy: -313.447 Base-Backbone interact. energy: -3.067 local terms energy: -348.858600 where: bonds (distance) C4'-P energy: -60.623 bonds (distance) P-C4' energy: -70.763 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -52.183 tors. eta vs tors. theta energy: -94.999 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: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1003.117097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.117097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.117097 (E_RNA) where: Base-Base interactions energy: -658.853 where: short stacking energy: -273.320 Base-Backbone interact. energy: -1.387 local terms energy: -342.876908 where: bonds (distance) C4'-P energy: -65.474 bonds (distance) P-C4' energy: -65.237 flat angles C4'-P-C4' energy: -73.552 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -80.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1064.653223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.653223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.653223 (E_RNA) where: Base-Base interactions energy: -735.602 where: short stacking energy: -291.871 Base-Backbone interact. energy: 1.225 local terms energy: -330.276821 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -76.224 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: -82.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -879.754362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.754362 (E_RNA) where: Base-Base interactions energy: -557.528 where: short stacking energy: -252.833 Base-Backbone interact. energy: -1.555 local terms energy: -320.671223 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -64.209 flat angles C4'-P-C4' energy: -70.556 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -67.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -807.920994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.920994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.920994 (E_RNA) where: Base-Base interactions energy: -502.524 where: short stacking energy: -218.264 Base-Backbone interact. energy: -2.753 local terms energy: -302.644109 where: bonds (distance) C4'-P energy: -69.666 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -63.173 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: -66.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -553.940730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.940730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.940730 (E_RNA) where: Base-Base interactions energy: -302.673 where: short stacking energy: -166.929 Base-Backbone interact. energy: 2.173 local terms energy: -253.440881 where: bonds (distance) C4'-P energy: -62.542 bonds (distance) P-C4' energy: -63.828 flat angles C4'-P-C4' energy: -61.950 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -24.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -485.520510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.520510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.520510 (E_RNA) where: Base-Base interactions energy: -247.568 where: short stacking energy: -143.339 Base-Backbone interact. energy: 7.227 local terms energy: -245.179690 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -49.863 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -21.220 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: 358 Temperature: 1.350000 Total energy: -322.149339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.149339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.149339 (E_RNA) where: Base-Base interactions energy: -142.874 where: short stacking energy: -80.045 Base-Backbone interact. energy: -1.170 local terms energy: -178.105301 where: bonds (distance) C4'-P energy: -57.260 bonds (distance) P-C4' energy: -62.752 flat angles C4'-P-C4' energy: -47.009 flat angles P-C4'-P energy: -21.942 tors. eta vs tors. theta energy: 10.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1249.298218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.298218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.298218 (E_RNA) where: Base-Base interactions energy: -862.134 where: short stacking energy: -355.347 Base-Backbone interact. energy: -2.516 local terms energy: -384.647537 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -77.304 flat angles C4'-P-C4' energy: -82.798 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -107.753 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: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1157.529868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.529868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.529868 (E_RNA) where: Base-Base interactions energy: -773.440 where: short stacking energy: -342.292 Base-Backbone interact. energy: 0.039 local terms energy: -384.128443 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -76.152 flat angles C4'-P-C4' energy: -86.731 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -105.752 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: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1110.754998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.754998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.754998 (E_RNA) where: Base-Base interactions energy: -761.044 where: short stacking energy: -321.614 Base-Backbone interact. energy: -0.920 local terms energy: -348.791152 where: bonds (distance) C4'-P energy: -56.828 bonds (distance) P-C4' energy: -71.630 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -88.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1084.358904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.358904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.358904 (E_RNA) where: Base-Base interactions energy: -734.948 where: short stacking energy: -306.243 Base-Backbone interact. energy: -1.194 local terms energy: -348.217665 where: bonds (distance) C4'-P energy: -70.395 bonds (distance) P-C4' energy: -72.282 flat angles C4'-P-C4' energy: -78.120 flat angles P-C4'-P energy: -45.208 tors. eta vs tors. theta energy: -82.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -973.580414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.580414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.580414 (E_RNA) where: Base-Base interactions energy: -624.233 where: short stacking energy: -272.772 Base-Backbone interact. energy: -0.211 local terms energy: -349.136308 where: bonds (distance) C4'-P energy: -76.256 bonds (distance) P-C4' energy: -76.873 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -66.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -858.076675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.076675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.076675 (E_RNA) where: Base-Base interactions energy: -566.593 where: short stacking energy: -232.588 Base-Backbone interact. energy: -0.770 local terms energy: -290.713336 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -58.068 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -42.158 tors. eta vs tors. theta energy: -57.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -801.142713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.142713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.142713 (E_RNA) where: Base-Base interactions energy: -518.897 where: short stacking energy: -241.281 Base-Backbone interact. energy: -0.367 local terms energy: -281.878688 where: bonds (distance) C4'-P energy: -55.366 bonds (distance) P-C4' energy: -66.022 flat angles C4'-P-C4' energy: -70.501 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -46.577 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: 359 Temperature: 1.250000 Total energy: -537.288923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.288923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.288923 (E_RNA) where: Base-Base interactions energy: -315.664 where: short stacking energy: -156.571 Base-Backbone interact. energy: -1.055 local terms energy: -220.569859 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -50.445 flat angles P-C4'-P energy: -29.222 tors. eta vs tors. theta energy: -16.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -505.232684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.232684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.232684 (E_RNA) where: Base-Base interactions energy: -251.994 where: short stacking energy: -139.768 Base-Backbone interact. energy: 0.725 local terms energy: -253.963461 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -59.814 flat angles C4'-P-C4' energy: -71.273 flat angles P-C4'-P energy: -38.210 tors. eta vs tors. theta energy: -14.273 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: 359 Temperature: 1.350000 Total energy: -302.068019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.068019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.068019 (E_RNA) where: Base-Base interactions energy: -108.203 where: short stacking energy: -69.839 Base-Backbone interact. energy: -1.238 local terms energy: -192.626856 where: bonds (distance) C4'-P energy: -57.219 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -64.855 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: 17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1267.952390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.952390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.952390 (E_RNA) where: Base-Base interactions energy: -897.365 where: short stacking energy: -362.165 Base-Backbone interact. energy: -4.932 local terms energy: -365.654749 where: bonds (distance) C4'-P energy: -55.726 bonds (distance) P-C4' energy: -68.511 flat angles C4'-P-C4' energy: -77.129 flat angles P-C4'-P energy: -52.180 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: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1181.162490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.162490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.162490 (E_RNA) where: Base-Base interactions energy: -791.900 where: short stacking energy: -351.412 Base-Backbone interact. energy: -1.247 local terms energy: -388.015502 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -68.511 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -105.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1116.790874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.790874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.790874 (E_RNA) where: Base-Base interactions energy: -765.950 where: short stacking energy: -308.102 Base-Backbone interact. energy: -0.487 local terms energy: -350.354225 where: bonds (distance) C4'-P energy: -74.202 bonds (distance) P-C4' energy: -66.558 flat angles C4'-P-C4' energy: -79.161 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -88.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1088.106304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.106304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.106304 (E_RNA) where: Base-Base interactions energy: -746.288 where: short stacking energy: -316.001 Base-Backbone interact. energy: -1.179 local terms energy: -340.639319 where: bonds (distance) C4'-P energy: -52.904 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -71.823 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -89.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -974.099060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.099060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.099060 (E_RNA) where: Base-Base interactions energy: -654.974 where: short stacking energy: -288.334 Base-Backbone interact. energy: -1.035 local terms energy: -318.089705 where: bonds (distance) C4'-P energy: -54.668 bonds (distance) P-C4' energy: -65.215 flat angles C4'-P-C4' energy: -73.455 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -74.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -892.621605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.621605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.621605 (E_RNA) where: Base-Base interactions energy: -582.116 where: short stacking energy: -245.138 Base-Backbone interact. energy: 2.198 local terms energy: -312.703345 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -64.603 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: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -811.615719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.615719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.615719 (E_RNA) where: Base-Base interactions energy: -537.351 where: short stacking energy: -245.407 Base-Backbone interact. energy: -1.308 local terms energy: -272.956156 where: bonds (distance) C4'-P energy: -59.246 bonds (distance) P-C4' energy: -58.905 flat angles C4'-P-C4' energy: -54.825 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: -63.274 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: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -541.383339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.383339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.383339 (E_RNA) where: Base-Base interactions energy: -289.784 where: short stacking energy: -162.898 Base-Backbone interact. energy: -0.103 local terms energy: -251.497137 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -58.936 flat angles C4'-P-C4' energy: -69.434 flat angles P-C4'-P energy: -31.032 tors. eta vs tors. theta energy: -29.734 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: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -546.809957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.809957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.809957 (E_RNA) where: Base-Base interactions energy: -311.171 where: short stacking energy: -150.441 Base-Backbone interact. energy: -1.124 local terms energy: -234.514163 where: bonds (distance) C4'-P energy: -52.690 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -34.697 tors. eta vs tors. theta energy: -18.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -275.807748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.807748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.807748 (E_RNA) where: Base-Base interactions energy: -86.059 where: short stacking energy: -75.360 Base-Backbone interact. energy: 7.485 local terms energy: -197.234609 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -62.258 flat angles C4'-P-C4' energy: -42.314 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: 5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1268.102876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.102876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.102876 (E_RNA) where: Base-Base interactions energy: -889.880 where: short stacking energy: -365.532 Base-Backbone interact. energy: -2.265 local terms energy: -375.957724 where: bonds (distance) C4'-P energy: -69.513 bonds (distance) P-C4' energy: -74.876 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -46.402 tors. eta vs tors. theta energy: -113.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1161.627409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.627409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.627409 (E_RNA) where: Base-Base interactions energy: -791.328 where: short stacking energy: -312.071 Base-Backbone interact. energy: -2.928 local terms energy: -367.371144 where: bonds (distance) C4'-P energy: -73.644 bonds (distance) P-C4' energy: -78.160 flat angles C4'-P-C4' energy: -74.209 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -93.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1161.906058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.906058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.906058 (E_RNA) where: Base-Base interactions energy: -780.762 where: short stacking energy: -335.725 Base-Backbone interact. energy: -2.180 local terms energy: -378.964033 where: bonds (distance) C4'-P energy: -65.476 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -76.624 flat angles P-C4'-P energy: -60.167 tors. eta vs tors. theta energy: -100.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1109.290146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.290146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.290146 (E_RNA) where: Base-Base interactions energy: -756.832 where: short stacking energy: -308.999 Base-Backbone interact. energy: -1.138 local terms energy: -351.319779 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -71.484 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -41.276 tors. eta vs tors. theta energy: -86.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -970.776582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.776582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.776582 (E_RNA) where: Base-Base interactions energy: -647.226 where: short stacking energy: -269.096 Base-Backbone interact. energy: -1.770 local terms energy: -321.780440 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -64.930 flat angles P-C4'-P energy: -53.080 tors. eta vs tors. theta energy: -74.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -842.999049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.999049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.999049 (E_RNA) where: Base-Base interactions energy: -548.392 where: short stacking energy: -250.033 Base-Backbone interact. energy: -1.549 local terms energy: -293.057845 where: bonds (distance) C4'-P energy: -55.762 bonds (distance) P-C4' energy: -58.118 flat angles C4'-P-C4' energy: -68.095 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -63.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -872.232307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.232307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.232307 (E_RNA) where: Base-Base interactions energy: -569.307 where: short stacking energy: -240.174 Base-Backbone interact. energy: 0.662 local terms energy: -303.587357 where: bonds (distance) C4'-P energy: -72.729 bonds (distance) P-C4' energy: -73.152 flat angles C4'-P-C4' energy: -67.559 flat angles P-C4'-P energy: -35.834 tors. eta vs tors. theta energy: -54.314 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: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -523.121167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.121167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.121167 (E_RNA) where: Base-Base interactions energy: -287.371 where: short stacking energy: -166.004 Base-Backbone interact. energy: 1.791 local terms energy: -237.541648 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -57.517 flat angles C4'-P-C4' energy: -58.340 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -26.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -455.071372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.071372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.071372 (E_RNA) where: Base-Base interactions energy: -231.592 where: short stacking energy: -120.414 Base-Backbone interact. energy: -1.253 local terms energy: -222.226603 where: bonds (distance) C4'-P energy: -53.135 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -38.643 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -287.511385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.511385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.511385 (E_RNA) where: Base-Base interactions energy: -96.596 where: short stacking energy: -74.498 Base-Backbone interact. energy: -2.794 local terms energy: -188.121867 where: bonds (distance) C4'-P energy: -49.483 bonds (distance) P-C4' energy: -63.247 flat angles C4'-P-C4' energy: -56.001 flat angles P-C4'-P energy: -19.665 tors. eta vs tors. theta energy: 0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1252.179819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.179819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.179819 (E_RNA) where: Base-Base interactions energy: -872.168 where: short stacking energy: -355.675 Base-Backbone interact. energy: 1.380 local terms energy: -381.391849 where: bonds (distance) C4'-P energy: -65.640 bonds (distance) P-C4' energy: -69.242 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -107.724 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1182.179006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.179006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.179006 (E_RNA) where: Base-Base interactions energy: -816.114 where: short stacking energy: -334.476 Base-Backbone interact. energy: -0.145 local terms energy: -365.919154 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -72.291 flat angles C4'-P-C4' energy: -80.934 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -92.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1166.379073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.379073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.379073 (E_RNA) where: Base-Base interactions energy: -793.324 where: short stacking energy: -344.772 Base-Backbone interact. energy: -1.585 local terms energy: -371.469480 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -46.979 tors. eta vs tors. theta energy: -103.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1070.401501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.401501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.401501 (E_RNA) where: Base-Base interactions energy: -727.897 where: short stacking energy: -306.286 Base-Backbone interact. energy: 0.796 local terms energy: -343.299910 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -77.998 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -82.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -964.701693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.701693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.701693 (E_RNA) where: Base-Base interactions energy: -646.882 where: short stacking energy: -256.162 Base-Backbone interact. energy: -0.435 local terms energy: -317.384984 where: bonds (distance) C4'-P energy: -71.154 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -70.896 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -70.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -881.423331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.423331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.423331 (E_RNA) where: Base-Base interactions energy: -593.079 where: short stacking energy: -253.513 Base-Backbone interact. energy: -2.116 local terms energy: -286.227712 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -39.507 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: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -871.085369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.085369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.085369 (E_RNA) where: Base-Base interactions energy: -570.181 where: short stacking energy: -259.818 Base-Backbone interact. energy: 4.947 local terms energy: -305.851867 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -49.057 tors. eta vs tors. theta energy: -73.021 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: 362 Temperature: 1.250000 Total energy: -505.166331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.166331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.166331 (E_RNA) where: Base-Base interactions energy: -253.346 where: short stacking energy: -147.249 Base-Backbone interact. energy: -0.647 local terms energy: -251.174102 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -51.453 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: -28.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -501.595740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.595740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.595740 (E_RNA) where: Base-Base interactions energy: -274.520 where: short stacking energy: -132.855 Base-Backbone interact. energy: 3.888 local terms energy: -230.963445 where: bonds (distance) C4'-P energy: -57.662 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -56.666 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: -16.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -310.787241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.787241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.787241 (E_RNA) where: Base-Base interactions energy: -108.450 where: short stacking energy: -71.601 Base-Backbone interact. energy: -1.250 local terms energy: -201.086555 where: bonds (distance) C4'-P energy: -60.880 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -50.227 flat angles P-C4'-P energy: -38.264 tors. eta vs tors. theta energy: 7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1253.367343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.367343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.367343 (E_RNA) where: Base-Base interactions energy: -882.582 where: short stacking energy: -357.315 Base-Backbone interact. energy: 0.186 local terms energy: -370.971209 where: bonds (distance) C4'-P energy: -70.142 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -77.665 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: -101.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1182.133659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.133659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.133659 (E_RNA) where: Base-Base interactions energy: -806.439 where: short stacking energy: -357.743 Base-Backbone interact. energy: -1.177 local terms energy: -374.517315 where: bonds (distance) C4'-P energy: -80.717 bonds (distance) P-C4' energy: -65.545 flat angles C4'-P-C4' energy: -71.770 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: -106.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1129.788439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.788439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.788439 (E_RNA) where: Base-Base interactions energy: -784.799 where: short stacking energy: -307.362 Base-Backbone interact. energy: -0.315 local terms energy: -344.674527 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -70.193 flat angles C4'-P-C4' energy: -78.430 flat angles P-C4'-P energy: -52.862 tors. eta vs tors. theta energy: -84.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1091.224535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.224535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.224535 (E_RNA) where: Base-Base interactions energy: -754.256 where: short stacking energy: -316.524 Base-Backbone interact. energy: -0.300 local terms energy: -336.668829 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -73.932 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -89.359 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: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -966.900214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.900214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.900214 (E_RNA) where: Base-Base interactions energy: -630.096 where: short stacking energy: -265.793 Base-Backbone interact. energy: 0.939 local terms energy: -337.743849 where: bonds (distance) C4'-P energy: -74.029 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -72.314 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -73.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -932.525682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.525682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.525682 (E_RNA) where: Base-Base interactions energy: -601.235 where: short stacking energy: -266.232 Base-Backbone interact. energy: 1.250 local terms energy: -332.541176 where: bonds (distance) C4'-P energy: -68.107 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -75.434 flat angles P-C4'-P energy: -44.325 tors. eta vs tors. theta energy: -78.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -828.457711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.457711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.457711 (E_RNA) where: Base-Base interactions energy: -543.329 where: short stacking energy: -242.395 Base-Backbone interact. energy: -0.260 local terms energy: -284.869224 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -56.788 flat angles C4'-P-C4' energy: -65.298 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -67.893 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: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -519.370829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.370829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.370829 (E_RNA) where: Base-Base interactions energy: -266.919 where: short stacking energy: -148.456 Base-Backbone interact. energy: -1.245 local terms energy: -251.206314 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -65.963 flat angles C4'-P-C4' energy: -69.658 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -475.297938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.297938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.297938 (E_RNA) where: Base-Base interactions energy: -240.265 where: short stacking energy: -135.241 Base-Backbone interact. energy: -1.369 local terms energy: -233.664469 where: bonds (distance) C4'-P energy: -59.950 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -65.452 flat angles P-C4'-P energy: -23.022 tors. eta vs tors. theta energy: -17.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -298.274521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.274521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.274521 (E_RNA) where: Base-Base interactions energy: -112.886 where: short stacking energy: -97.003 Base-Backbone interact. energy: 0.406 local terms energy: -185.794550 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -47.947 flat angles P-C4'-P energy: -28.252 tors. eta vs tors. theta energy: 9.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1263.330761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.330761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.330761 (E_RNA) where: Base-Base interactions energy: -872.421 where: short stacking energy: -362.116 Base-Backbone interact. energy: -2.806 local terms energy: -388.103924 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -74.551 flat angles C4'-P-C4' energy: -79.802 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -101.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1185.964819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.964819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.964819 (E_RNA) where: Base-Base interactions energy: -799.746 where: short stacking energy: -342.694 Base-Backbone interact. energy: -1.589 local terms energy: -384.629907 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -86.298 flat angles P-C4'-P energy: -55.428 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: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1124.235320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.235320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.235320 (E_RNA) where: Base-Base interactions energy: -771.971 where: short stacking energy: -302.027 Base-Backbone interact. energy: -3.043 local terms energy: -349.221220 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -74.251 flat angles P-C4'-P energy: -50.319 tors. eta vs tors. theta energy: -92.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1072.595688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.595688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.595688 (E_RNA) where: Base-Base interactions energy: -734.796 where: short stacking energy: -300.024 Base-Backbone interact. energy: -2.531 local terms energy: -335.268930 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -62.650 flat angles C4'-P-C4' energy: -65.039 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -94.733 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -932.544226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.544226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.544226 (E_RNA) where: Base-Base interactions energy: -606.996 where: short stacking energy: -274.635 Base-Backbone interact. energy: -0.432 local terms energy: -325.116581 where: bonds (distance) C4'-P energy: -63.564 bonds (distance) P-C4' energy: -60.465 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -78.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -964.804053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.804053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.804053 (E_RNA) where: Base-Base interactions energy: -639.546 where: short stacking energy: -291.192 Base-Backbone interact. energy: 1.106 local terms energy: -326.363343 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -64.206 flat angles C4'-P-C4' energy: -73.515 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -80.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -826.093862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.093862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.093862 (E_RNA) where: Base-Base interactions energy: -530.927 where: short stacking energy: -230.464 Base-Backbone interact. energy: -1.459 local terms energy: -293.707862 where: bonds (distance) C4'-P energy: -68.228 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -65.455 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -62.820 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: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -475.832209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.832209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.832209 (E_RNA) where: Base-Base interactions energy: -251.240 where: short stacking energy: -123.450 Base-Backbone interact. energy: -0.250 local terms energy: -224.342336 where: bonds (distance) C4'-P energy: -70.520 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -63.213 flat angles P-C4'-P energy: -30.788 tors. eta vs tors. theta energy: -2.820 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: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -468.615758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.615758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.615758 (E_RNA) where: Base-Base interactions energy: -254.547 where: short stacking energy: -128.998 Base-Backbone interact. energy: 0.175 local terms energy: -214.243010 where: bonds (distance) C4'-P energy: -53.242 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -27.930 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -323.883274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.883274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.883274 (E_RNA) where: Base-Base interactions energy: -135.861 where: short stacking energy: -84.624 Base-Backbone interact. energy: 6.195 local terms energy: -194.216470 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -50.771 flat angles P-C4'-P energy: -24.853 tors. eta vs tors. theta energy: 7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1251.699285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.699285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.699285 (E_RNA) where: Base-Base interactions energy: -872.403 where: short stacking energy: -352.025 Base-Backbone interact. energy: 4.560 local terms energy: -383.856262 where: bonds (distance) C4'-P energy: -69.873 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -84.210 flat angles P-C4'-P energy: -54.296 tors. eta vs tors. theta energy: -103.077 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: 9 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1198.772199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.772199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.772199 (E_RNA) where: Base-Base interactions energy: -816.623 where: short stacking energy: -337.958 Base-Backbone interact. energy: -2.124 local terms energy: -380.025725 where: bonds (distance) C4'-P energy: -80.336 bonds (distance) P-C4' energy: -69.922 flat angles C4'-P-C4' energy: -77.917 flat angles P-C4'-P energy: -54.291 tors. eta vs tors. theta energy: -97.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1170.116064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.116064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.116064 (E_RNA) where: Base-Base interactions energy: -796.083 where: short stacking energy: -346.241 Base-Backbone interact. energy: -4.032 local terms energy: -370.001940 where: bonds (distance) C4'-P energy: -62.964 bonds (distance) P-C4' energy: -63.002 flat angles C4'-P-C4' energy: -79.536 flat angles P-C4'-P energy: -59.484 tors. eta vs tors. theta energy: -105.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1098.222043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.222043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.222043 (E_RNA) where: Base-Base interactions energy: -728.451 where: short stacking energy: -326.565 Base-Backbone interact. energy: -0.106 local terms energy: -369.665160 where: bonds (distance) C4'-P energy: -66.014 bonds (distance) P-C4' energy: -71.054 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -100.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -917.136312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.136312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.136312 (E_RNA) where: Base-Base interactions energy: -583.929 where: short stacking energy: -262.234 Base-Backbone interact. energy: -1.426 local terms energy: -331.781848 where: bonds (distance) C4'-P energy: -59.995 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -75.757 flat angles P-C4'-P energy: -49.664 tors. eta vs tors. theta energy: -75.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -949.488363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.488363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.488363 (E_RNA) where: Base-Base interactions energy: -636.298 where: short stacking energy: -281.599 Base-Backbone interact. energy: -0.573 local terms energy: -312.617431 where: bonds (distance) C4'-P energy: -50.969 bonds (distance) P-C4' energy: -75.896 flat angles C4'-P-C4' energy: -74.497 flat angles P-C4'-P energy: -40.835 tors. eta vs tors. theta energy: -70.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -842.218105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.218105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.218105 (E_RNA) where: Base-Base interactions energy: -556.065 where: short stacking energy: -239.104 Base-Backbone interact. energy: -0.823 local terms energy: -285.329580 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -53.422 flat angles C4'-P-C4' energy: -59.253 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -58.049 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: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -464.881887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.881887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.881887 (E_RNA) where: Base-Base interactions energy: -236.234 where: short stacking energy: -109.697 Base-Backbone interact. energy: -4.393 local terms energy: -224.255049 where: bonds (distance) C4'-P energy: -55.490 bonds (distance) P-C4' energy: -71.856 flat angles C4'-P-C4' energy: -50.527 flat angles P-C4'-P energy: -35.363 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -476.645584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.645584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.645584 (E_RNA) where: Base-Base interactions energy: -240.972 where: short stacking energy: -136.357 Base-Backbone interact. energy: -1.482 local terms energy: -234.191305 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -62.025 flat angles P-C4'-P energy: -28.221 tors. eta vs tors. theta energy: -21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -294.306135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.306135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.306135 (E_RNA) where: Base-Base interactions energy: -112.236 where: short stacking energy: -91.953 Base-Backbone interact. energy: -0.538 local terms energy: -181.532237 where: bonds (distance) C4'-P energy: -54.973 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -51.211 flat angles P-C4'-P energy: -27.865 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: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1284.267950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.267950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.267950 (E_RNA) where: Base-Base interactions energy: -894.445 where: short stacking energy: -375.690 Base-Backbone interact. energy: -3.419 local terms energy: -386.403554 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -77.756 flat angles C4'-P-C4' energy: -86.236 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -110.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1188.078425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.078425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.078425 (E_RNA) where: Base-Base interactions energy: -807.023 where: short stacking energy: -338.255 Base-Backbone interact. energy: 0.546 local terms energy: -381.601771 where: bonds (distance) C4'-P energy: -73.171 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: -103.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1169.301032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.301032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.301032 (E_RNA) where: Base-Base interactions energy: -797.719 where: short stacking energy: -303.397 Base-Backbone interact. energy: -1.621 local terms energy: -369.961264 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -62.365 flat angles C4'-P-C4' energy: -85.182 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -88.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1067.051037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.051037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.051037 (E_RNA) where: Base-Base interactions energy: -712.598 where: short stacking energy: -284.267 Base-Backbone interact. energy: -1.365 local terms energy: -353.087838 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -81.889 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: 366 Temperature: 1.100000 Total energy: -954.254447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.254447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.254447 (E_RNA) where: Base-Base interactions energy: -640.793 where: short stacking energy: -280.234 Base-Backbone interact. energy: 3.464 local terms energy: -316.926334 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -73.313 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: -72.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -912.035873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.035873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.035873 (E_RNA) where: Base-Base interactions energy: -600.092 where: short stacking energy: -250.918 Base-Backbone interact. energy: 0.428 local terms energy: -312.371778 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -66.929 flat angles P-C4'-P energy: -45.883 tors. eta vs tors. theta energy: -76.464 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: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -910.669513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.669513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.669513 (E_RNA) where: Base-Base interactions energy: -593.451 where: short stacking energy: -256.668 Base-Backbone interact. energy: 0.829 local terms energy: -318.047447 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -67.177 flat angles P-C4'-P energy: -32.028 tors. eta vs tors. theta energy: -76.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -514.890298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.890298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.890298 (E_RNA) where: Base-Base interactions energy: -280.006 where: short stacking energy: -139.731 Base-Backbone interact. energy: 0.639 local terms energy: -235.523705 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -57.722 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -484.468939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.468939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.468939 (E_RNA) where: Base-Base interactions energy: -270.904 where: short stacking energy: -142.253 Base-Backbone interact. energy: -1.951 local terms energy: -211.613836 where: bonds (distance) C4'-P energy: -41.974 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -50.563 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -9.874 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: 366 Temperature: 1.350000 Total energy: -283.518706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.518706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.518706 (E_RNA) where: Base-Base interactions energy: -82.341 where: short stacking energy: -64.294 Base-Backbone interact. energy: 3.973 local terms energy: -205.150670 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -65.711 flat angles C4'-P-C4' energy: -47.459 flat angles P-C4'-P energy: -25.510 tors. eta vs tors. theta energy: 7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1259.296701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.296701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.296701 (E_RNA) where: Base-Base interactions energy: -882.193 where: short stacking energy: -368.497 Base-Backbone interact. energy: -2.977 local terms energy: -374.125937 where: bonds (distance) C4'-P energy: -68.478 bonds (distance) P-C4' energy: -71.022 flat angles C4'-P-C4' energy: -76.323 flat angles P-C4'-P energy: -54.773 tors. eta vs tors. theta energy: -103.530 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: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1182.600677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.600677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.600677 (E_RNA) where: Base-Base interactions energy: -795.594 where: short stacking energy: -332.318 Base-Backbone interact. energy: -0.223 local terms energy: -386.783284 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -81.094 flat angles C4'-P-C4' energy: -84.729 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -101.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1177.853563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.853563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.853563 (E_RNA) where: Base-Base interactions energy: -805.802 where: short stacking energy: -313.495 Base-Backbone interact. energy: -1.913 local terms energy: -370.138366 where: bonds (distance) C4'-P energy: -78.353 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -83.074 flat angles P-C4'-P energy: -55.820 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: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -982.849949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.849949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.849949 (E_RNA) where: Base-Base interactions energy: -661.014 where: short stacking energy: -285.039 Base-Backbone interact. energy: -1.840 local terms energy: -319.996299 where: bonds (distance) C4'-P energy: -69.596 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -69.283 flat angles P-C4'-P energy: -45.711 tors. eta vs tors. theta energy: -68.572 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: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1029.132917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.132917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.132917 (E_RNA) where: Base-Base interactions energy: -685.871 where: short stacking energy: -287.022 Base-Backbone interact. energy: -0.568 local terms energy: -342.694057 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -60.387 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -89.107 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: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -943.545098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.545098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.545098 (E_RNA) where: Base-Base interactions energy: -628.681 where: short stacking energy: -277.568 Base-Backbone interact. energy: -2.622 local terms energy: -312.242307 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -67.030 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -36.283 tors. eta vs tors. theta energy: -79.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -860.450877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.450877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.450877 (E_RNA) where: Base-Base interactions energy: -572.270 where: short stacking energy: -234.312 Base-Backbone interact. energy: -0.290 local terms energy: -287.890887 where: bonds (distance) C4'-P energy: -56.392 bonds (distance) P-C4' energy: -66.706 flat angles C4'-P-C4' energy: -64.191 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: -64.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -491.340665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.340665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.340665 (E_RNA) where: Base-Base interactions energy: -236.139 where: short stacking energy: -139.355 Base-Backbone interact. energy: -0.430 local terms energy: -254.771623 where: bonds (distance) C4'-P energy: -75.178 bonds (distance) P-C4' energy: -73.332 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -14.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -461.603643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.603643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.603643 (E_RNA) where: Base-Base interactions energy: -231.291 where: short stacking energy: -124.024 Base-Backbone interact. energy: 2.744 local terms energy: -233.055901 where: bonds (distance) C4'-P energy: -62.781 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -50.898 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -11.078 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: 367 Temperature: 1.350000 Total energy: -295.898039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.898039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.898039 (E_RNA) where: Base-Base interactions energy: -91.687 where: short stacking energy: -72.257 Base-Backbone interact. energy: -0.822 local terms energy: -203.388181 where: bonds (distance) C4'-P energy: -65.146 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -58.097 flat angles P-C4'-P energy: -29.870 tors. eta vs tors. theta energy: 18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1193.167337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.167337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.167337 (E_RNA) where: Base-Base interactions energy: -808.512 where: short stacking energy: -342.483 Base-Backbone interact. energy: -0.073 local terms energy: -384.582033 where: bonds (distance) C4'-P energy: -75.181 bonds (distance) P-C4' energy: -77.297 flat angles C4'-P-C4' energy: -77.743 flat angles P-C4'-P energy: -54.119 tors. eta vs tors. theta energy: -100.242 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: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1213.720466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.720466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.720466 (E_RNA) where: Base-Base interactions energy: -858.069 where: short stacking energy: -351.944 Base-Backbone interact. energy: -1.645 local terms energy: -354.006536 where: bonds (distance) C4'-P energy: -66.336 bonds (distance) P-C4' energy: -63.152 flat angles C4'-P-C4' energy: -76.424 flat angles P-C4'-P energy: -39.705 tors. eta vs tors. theta energy: -108.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1140.927669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.927669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.927669 (E_RNA) where: Base-Base interactions energy: -791.031 where: short stacking energy: -315.973 Base-Backbone interact. energy: -1.338 local terms energy: -348.558342 where: bonds (distance) C4'-P energy: -71.087 bonds (distance) P-C4' energy: -58.092 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -89.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1031.863083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.863083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.863083 (E_RNA) where: Base-Base interactions energy: -666.192 where: short stacking energy: -276.114 Base-Backbone interact. energy: -0.926 local terms energy: -364.744688 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -85.569 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -45.012 tors. eta vs tors. theta energy: -83.909 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: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1049.595886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.595886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.595886 (E_RNA) where: Base-Base interactions energy: -728.091 where: short stacking energy: -300.746 Base-Backbone interact. energy: -1.058 local terms energy: -320.446393 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -46.266 flat angles C4'-P-C4' energy: -74.422 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -80.639 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: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -934.195047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.195047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.195047 (E_RNA) where: Base-Base interactions energy: -601.725 where: short stacking energy: -282.528 Base-Backbone interact. energy: -1.052 local terms energy: -331.418392 where: bonds (distance) C4'-P energy: -64.594 bonds (distance) P-C4' energy: -59.615 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -49.694 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: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -905.051700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.051700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.051700 (E_RNA) where: Base-Base interactions energy: -601.812 where: short stacking energy: -264.930 Base-Backbone interact. energy: -2.874 local terms energy: -300.365384 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -57.003 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -46.624 tors. eta vs tors. theta energy: -71.138 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: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -510.977865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.977865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.977865 (E_RNA) where: Base-Base interactions energy: -262.524 where: short stacking energy: -141.522 Base-Backbone interact. energy: -0.818 local terms energy: -247.635529 where: bonds (distance) C4'-P energy: -60.312 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -63.184 flat angles P-C4'-P energy: -34.697 tors. eta vs tors. theta energy: -22.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -475.084109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.084109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.084109 (E_RNA) where: Base-Base interactions energy: -242.258 where: short stacking energy: -114.841 Base-Backbone interact. energy: 1.787 local terms energy: -234.612204 where: bonds (distance) C4'-P energy: -67.266 bonds (distance) P-C4' energy: -70.369 flat angles C4'-P-C4' energy: -59.659 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -280.408419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.408419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.408419 (E_RNA) where: Base-Base interactions energy: -88.656 where: short stacking energy: -74.566 Base-Backbone interact. energy: 4.775 local terms energy: -196.527900 where: bonds (distance) C4'-P energy: -60.489 bonds (distance) P-C4' energy: -55.490 flat angles C4'-P-C4' energy: -58.437 flat angles P-C4'-P energy: -30.023 tors. eta vs tors. theta energy: 7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1205.234083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.234083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.234083 (E_RNA) where: Base-Base interactions energy: -818.065 where: short stacking energy: -351.149 Base-Backbone interact. energy: 1.678 local terms energy: -388.847327 where: bonds (distance) C4'-P energy: -71.417 bonds (distance) P-C4' energy: -72.918 flat angles C4'-P-C4' energy: -82.677 flat angles P-C4'-P energy: -56.216 tors. eta vs tors. theta energy: -105.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1242.835517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.835517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.835517 (E_RNA) where: Base-Base interactions energy: -866.185 where: short stacking energy: -359.656 Base-Backbone interact. energy: -1.998 local terms energy: -374.651934 where: bonds (distance) C4'-P energy: -71.180 bonds (distance) P-C4' energy: -75.220 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -42.517 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: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1136.253644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.253644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.253644 (E_RNA) where: Base-Base interactions energy: -790.664 where: short stacking energy: -299.771 Base-Backbone interact. energy: -0.868 local terms energy: -344.721839 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -70.606 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -78.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1062.161754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.161754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.161754 (E_RNA) where: Base-Base interactions energy: -738.307 where: short stacking energy: -285.069 Base-Backbone interact. energy: -1.858 local terms energy: -321.996866 where: bonds (distance) C4'-P energy: -63.997 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -70.864 flat angles P-C4'-P energy: -47.951 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: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -979.304313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.304313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.304313 (E_RNA) where: Base-Base interactions energy: -670.557 where: short stacking energy: -286.662 Base-Backbone interact. energy: -1.124 local terms energy: -307.623749 where: bonds (distance) C4'-P energy: -51.542 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -63.070 flat angles P-C4'-P energy: -49.877 tors. eta vs tors. theta energy: -83.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -959.422588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.422588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.422588 (E_RNA) where: Base-Base interactions energy: -643.843 where: short stacking energy: -286.220 Base-Backbone interact. energy: -0.405 local terms energy: -315.174469 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -61.689 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -88.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -882.064816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.064816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.064816 (E_RNA) where: Base-Base interactions energy: -574.191 where: short stacking energy: -254.979 Base-Backbone interact. energy: -1.181 local terms energy: -306.693032 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -60.602 flat angles C4'-P-C4' energy: -67.428 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -79.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -589.079226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.079226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.079226 (E_RNA) where: Base-Base interactions energy: -351.813 where: short stacking energy: -180.456 Base-Backbone interact. energy: -3.247 local terms energy: -234.018990 where: bonds (distance) C4'-P energy: -53.968 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -58.801 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -24.158 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: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -466.632786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.632786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.632786 (E_RNA) where: Base-Base interactions energy: -224.903 where: short stacking energy: -121.322 Base-Backbone interact. energy: 1.141 local terms energy: -242.870133 where: bonds (distance) C4'-P energy: -59.080 bonds (distance) P-C4' energy: -77.233 flat angles C4'-P-C4' energy: -56.641 flat angles P-C4'-P energy: -38.205 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -288.953850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.953850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.953850 (E_RNA) where: Base-Base interactions energy: -97.396 where: short stacking energy: -84.344 Base-Backbone interact. energy: -1.019 local terms energy: -190.538806 where: bonds (distance) C4'-P energy: -49.501 bonds (distance) P-C4' energy: -70.718 flat angles C4'-P-C4' energy: -47.714 flat angles P-C4'-P energy: -19.809 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1211.766388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.766388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.766388 (E_RNA) where: Base-Base interactions energy: -840.190 where: short stacking energy: -355.281 Base-Backbone interact. energy: -1.764 local terms energy: -369.812850 where: bonds (distance) C4'-P energy: -67.793 bonds (distance) P-C4' energy: -65.810 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -105.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1221.258991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.258991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.258991 (E_RNA) where: Base-Base interactions energy: -841.979 where: short stacking energy: -362.023 Base-Backbone interact. energy: -0.334 local terms energy: -378.945602 where: bonds (distance) C4'-P energy: -69.383 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -82.179 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -107.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1132.809306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.809306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.809306 (E_RNA) where: Base-Base interactions energy: -777.007 where: short stacking energy: -316.831 Base-Backbone interact. energy: 0.633 local terms energy: -356.435803 where: bonds (distance) C4'-P energy: -69.585 bonds (distance) P-C4' energy: -73.473 flat angles C4'-P-C4' energy: -81.980 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -88.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1063.356182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.356182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.356182 (E_RNA) where: Base-Base interactions energy: -718.900 where: short stacking energy: -297.547 Base-Backbone interact. energy: 0.904 local terms energy: -345.360573 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -74.097 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -996.841392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.841392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.841392 (E_RNA) where: Base-Base interactions energy: -657.113 where: short stacking energy: -266.423 Base-Backbone interact. energy: 1.853 local terms energy: -341.581413 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -74.923 flat angles P-C4'-P energy: -53.190 tors. eta vs tors. theta energy: -82.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -982.180891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.180891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.180891 (E_RNA) where: Base-Base interactions energy: -654.600 where: short stacking energy: -279.510 Base-Backbone interact. energy: -0.153 local terms energy: -327.427666 where: bonds (distance) C4'-P energy: -69.022 bonds (distance) P-C4' energy: -73.247 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -72.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -832.205926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.205926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.205926 (E_RNA) where: Base-Base interactions energy: -533.521 where: short stacking energy: -224.204 Base-Backbone interact. energy: -3.071 local terms energy: -295.613956 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -77.363 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: -46.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -577.998627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.998627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.998627 (E_RNA) where: Base-Base interactions energy: -301.921 where: short stacking energy: -140.035 Base-Backbone interact. energy: -1.826 local terms energy: -274.251835 where: bonds (distance) C4'-P energy: -62.373 bonds (distance) P-C4' energy: -71.171 flat angles C4'-P-C4' energy: -61.252 flat angles P-C4'-P energy: -63.745 tors. eta vs tors. theta energy: -15.711 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: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -459.707134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.707134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.707134 (E_RNA) where: Base-Base interactions energy: -230.523 where: short stacking energy: -127.911 Base-Backbone interact. energy: 0.181 local terms energy: -229.364781 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -64.160 flat angles C4'-P-C4' energy: -53.143 flat angles P-C4'-P energy: -28.629 tors. eta vs tors. theta energy: -23.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -288.607185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.607185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.607185 (E_RNA) where: Base-Base interactions energy: -92.364 where: short stacking energy: -84.432 Base-Backbone interact. energy: 1.987 local terms energy: -198.230337 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -50.251 flat angles P-C4'-P energy: -24.211 tors. eta vs tors. theta energy: 11.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1210.046541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.046541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.046541 (E_RNA) where: Base-Base interactions energy: -830.026 where: short stacking energy: -358.598 Base-Backbone interact. energy: -1.647 local terms energy: -378.373518 where: bonds (distance) C4'-P energy: -68.402 bonds (distance) P-C4' energy: -70.689 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -102.046 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: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1242.110864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.110864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.110864 (E_RNA) where: Base-Base interactions energy: -867.898 where: short stacking energy: -355.549 Base-Backbone interact. energy: -1.691 local terms energy: -372.521764 where: bonds (distance) C4'-P energy: -78.777 bonds (distance) P-C4' energy: -70.843 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -46.692 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: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1103.079480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.079480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.079480 (E_RNA) where: Base-Base interactions energy: -761.266 where: short stacking energy: -305.962 Base-Backbone interact. energy: -4.673 local terms energy: -337.140381 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -74.870 flat angles P-C4'-P energy: -44.169 tors. eta vs tors. theta energy: -87.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1093.291776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.291776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.291776 (E_RNA) where: Base-Base interactions energy: -736.774 where: short stacking energy: -309.855 Base-Backbone interact. energy: 1.910 local terms energy: -358.427718 where: bonds (distance) C4'-P energy: -75.511 bonds (distance) P-C4' energy: -65.131 flat angles C4'-P-C4' energy: -70.147 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -91.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -977.114827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.114827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.114827 (E_RNA) where: Base-Base interactions energy: -650.002 where: short stacking energy: -287.672 Base-Backbone interact. energy: -0.612 local terms energy: -326.500899 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -32.890 tors. eta vs tors. theta energy: -81.479 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: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -924.844952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.844952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.844952 (E_RNA) where: Base-Base interactions energy: -624.135 where: short stacking energy: -263.969 Base-Backbone interact. energy: 0.038 local terms energy: -300.748310 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -79.794 flat angles C4'-P-C4' energy: -61.251 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -58.848 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: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -808.065408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.065408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.065408 (E_RNA) where: Base-Base interactions energy: -537.272 where: short stacking energy: -236.956 Base-Backbone interact. energy: -0.340 local terms energy: -270.453356 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -58.883 flat angles C4'-P-C4' energy: -58.127 flat angles P-C4'-P energy: -37.600 tors. eta vs tors. theta energy: -53.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -565.432981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.432981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.432981 (E_RNA) where: Base-Base interactions energy: -323.863 where: short stacking energy: -156.614 Base-Backbone interact. energy: -0.617 local terms energy: -240.952493 where: bonds (distance) C4'-P energy: -49.779 bonds (distance) P-C4' energy: -66.914 flat angles C4'-P-C4' energy: -53.344 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -18.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -463.072161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.072161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.072161 (E_RNA) where: Base-Base interactions energy: -256.736 where: short stacking energy: -154.455 Base-Backbone interact. energy: -3.195 local terms energy: -203.141209 where: bonds (distance) C4'-P energy: -47.408 bonds (distance) P-C4' energy: -55.863 flat angles C4'-P-C4' energy: -57.224 flat angles P-C4'-P energy: -39.419 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -288.877332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.877332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.877332 (E_RNA) where: Base-Base interactions energy: -92.784 where: short stacking energy: -74.322 Base-Backbone interact. energy: 5.473 local terms energy: -201.566282 where: bonds (distance) C4'-P energy: -62.998 bonds (distance) P-C4' energy: -64.693 flat angles C4'-P-C4' energy: -53.114 flat angles P-C4'-P energy: -32.782 tors. eta vs tors. theta energy: 12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1251.578494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.578494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.578494 (E_RNA) where: Base-Base interactions energy: -886.984 where: short stacking energy: -373.551 Base-Backbone interact. energy: -1.038 local terms energy: -363.556872 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -75.954 flat angles C4'-P-C4' energy: -79.011 flat angles P-C4'-P energy: -48.666 tors. eta vs tors. theta energy: -103.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1166.608522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.608522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.608522 (E_RNA) where: Base-Base interactions energy: -798.689 where: short stacking energy: -347.130 Base-Backbone interact. energy: 0.626 local terms energy: -368.545071 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -99.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1134.390529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.390529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.390529 (E_RNA) where: Base-Base interactions energy: -775.260 where: short stacking energy: -301.355 Base-Backbone interact. energy: -1.143 local terms energy: -357.987172 where: bonds (distance) C4'-P energy: -79.207 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -67.983 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -88.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1104.923751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.923751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.923751 (E_RNA) where: Base-Base interactions energy: -742.422 where: short stacking energy: -321.963 Base-Backbone interact. energy: 1.228 local terms energy: -363.729218 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -67.816 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -88.911 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: 372 Temperature: 1.100000 Total energy: -979.489585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.489585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.489585 (E_RNA) where: Base-Base interactions energy: -648.121 where: short stacking energy: -286.993 Base-Backbone interact. energy: 1.294 local terms energy: -332.663313 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -72.623 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -70.409 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: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -928.638620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.638620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.638620 (E_RNA) where: Base-Base interactions energy: -612.414 where: short stacking energy: -269.852 Base-Backbone interact. energy: -0.876 local terms energy: -315.348716 where: bonds (distance) C4'-P energy: -61.406 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -74.467 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -76.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -819.858367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.858367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.858367 (E_RNA) where: Base-Base interactions energy: -530.836 where: short stacking energy: -246.655 Base-Backbone interact. energy: -2.054 local terms energy: -286.968632 where: bonds (distance) C4'-P energy: -61.374 bonds (distance) P-C4' energy: -57.479 flat angles C4'-P-C4' energy: -67.077 flat angles P-C4'-P energy: -43.129 tors. eta vs tors. theta energy: -57.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -510.182211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.182211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.182211 (E_RNA) where: Base-Base interactions energy: -267.582 where: short stacking energy: -149.290 Base-Backbone interact. energy: -1.123 local terms energy: -241.477128 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -60.954 flat angles P-C4'-P energy: -30.242 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -477.366883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.366883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.366883 (E_RNA) where: Base-Base interactions energy: -250.775 where: short stacking energy: -138.691 Base-Backbone interact. energy: 4.831 local terms energy: -231.423651 where: bonds (distance) C4'-P energy: -61.675 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -30.115 tors. eta vs tors. theta energy: -18.842 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: 372 Temperature: 1.350000 Total energy: -286.361922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.361922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.361922 (E_RNA) where: Base-Base interactions energy: -99.938 where: short stacking energy: -77.712 Base-Backbone interact. energy: -1.027 local terms energy: -185.396999 where: bonds (distance) C4'-P energy: -50.174 bonds (distance) P-C4' energy: -55.672 flat angles C4'-P-C4' energy: -54.976 flat angles P-C4'-P energy: -34.417 tors. eta vs tors. theta energy: 9.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1241.340787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.340787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.340787 (E_RNA) where: Base-Base interactions energy: -851.292 where: short stacking energy: -347.794 Base-Backbone interact. energy: 3.951 local terms energy: -393.999105 where: bonds (distance) C4'-P energy: -78.561 bonds (distance) P-C4' energy: -72.760 flat angles C4'-P-C4' energy: -80.202 flat angles P-C4'-P energy: -59.300 tors. eta vs tors. theta energy: -103.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1189.178914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.178914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.178914 (E_RNA) where: Base-Base interactions energy: -812.972 where: short stacking energy: -350.569 Base-Backbone interact. energy: -1.296 local terms energy: -374.910824 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -80.823 flat angles C4'-P-C4' energy: -77.666 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -109.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1145.400837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.400837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.400837 (E_RNA) where: Base-Base interactions energy: -786.689 where: short stacking energy: -315.607 Base-Backbone interact. energy: -1.603 local terms energy: -357.109186 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -71.790 flat angles C4'-P-C4' energy: -75.941 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -90.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1087.440800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.440800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.440800 (E_RNA) where: Base-Base interactions energy: -733.223 where: short stacking energy: -311.909 Base-Backbone interact. energy: -3.537 local terms energy: -350.680630 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -71.636 flat angles C4'-P-C4' energy: -79.150 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -93.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -998.598289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.598289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.598289 (E_RNA) where: Base-Base interactions energy: -670.797 where: short stacking energy: -297.279 Base-Backbone interact. energy: 1.632 local terms energy: -329.434018 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -74.511 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -86.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -977.314698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.314698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.314698 (E_RNA) where: Base-Base interactions energy: -639.536 where: short stacking energy: -285.357 Base-Backbone interact. energy: -1.493 local terms energy: -336.284947 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -77.522 flat angles C4'-P-C4' energy: -76.411 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: -86.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -800.459955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.459955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.459955 (E_RNA) where: Base-Base interactions energy: -507.540 where: short stacking energy: -224.449 Base-Backbone interact. energy: -1.362 local terms energy: -291.557271 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -71.538 flat angles P-C4'-P energy: -44.958 tors. eta vs tors. theta energy: -65.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -504.035156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.035156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.035156 (E_RNA) where: Base-Base interactions energy: -267.594 where: short stacking energy: -137.280 Base-Backbone interact. energy: -1.230 local terms energy: -235.210865 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -58.846 flat angles P-C4'-P energy: -34.111 tors. eta vs tors. theta energy: -22.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -456.358620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.358620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.358620 (E_RNA) where: Base-Base interactions energy: -249.390 where: short stacking energy: -143.056 Base-Backbone interact. energy: -0.581 local terms energy: -206.387544 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -54.990 flat angles C4'-P-C4' energy: -48.906 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -296.203378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.203378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.203378 (E_RNA) where: Base-Base interactions energy: -96.647 where: short stacking energy: -96.399 Base-Backbone interact. energy: 0.307 local terms energy: -199.863408 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -59.661 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -30.776 tors. eta vs tors. theta energy: 4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1247.781064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.781064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.781064 (E_RNA) where: Base-Base interactions energy: -870.679 where: short stacking energy: -367.364 Base-Backbone interact. energy: -0.929 local terms energy: -376.172667 where: bonds (distance) C4'-P energy: -67.918 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -77.344 flat angles P-C4'-P energy: -56.044 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: 2, replica: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1186.158282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.158282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.158282 (E_RNA) where: Base-Base interactions energy: -790.600 where: short stacking energy: -350.229 Base-Backbone interact. energy: -2.429 local terms energy: -393.128759 where: bonds (distance) C4'-P energy: -82.811 bonds (distance) P-C4' energy: -68.411 flat angles C4'-P-C4' energy: -76.625 flat angles P-C4'-P energy: -53.548 tors. eta vs tors. theta energy: -111.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1122.050605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.050605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.050605 (E_RNA) where: Base-Base interactions energy: -762.213 where: short stacking energy: -314.145 Base-Backbone interact. energy: -0.800 local terms energy: -359.037660 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -72.154 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -46.169 tors. eta vs tors. theta energy: -94.787 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: 374 Temperature: 1.050000 Total energy: -1107.929586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.929586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.929586 (E_RNA) where: Base-Base interactions energy: -774.156 where: short stacking energy: -303.715 Base-Backbone interact. energy: -1.118 local terms energy: -332.655937 where: bonds (distance) C4'-P energy: -72.059 bonds (distance) P-C4' energy: -57.349 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -88.673 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: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1022.929122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.929122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.929122 (E_RNA) where: Base-Base interactions energy: -686.213 where: short stacking energy: -273.965 Base-Backbone interact. energy: -0.532 local terms energy: -336.183943 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -76.748 flat angles C4'-P-C4' energy: -75.253 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -67.442 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: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -937.864866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.864866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.864866 (E_RNA) where: Base-Base interactions energy: -613.428 where: short stacking energy: -294.417 Base-Backbone interact. energy: -0.904 local terms energy: -323.533016 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -68.577 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: -86.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -781.034975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.034975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.034975 (E_RNA) where: Base-Base interactions energy: -497.291 where: short stacking energy: -220.766 Base-Backbone interact. energy: 0.121 local terms energy: -283.864849 where: bonds (distance) C4'-P energy: -62.274 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -51.780 tors. eta vs tors. theta energy: -45.152 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: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -500.301175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.301175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.301175 (E_RNA) where: Base-Base interactions energy: -264.868 where: short stacking energy: -142.072 Base-Backbone interact. energy: -1.485 local terms energy: -233.948327 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -53.785 flat angles C4'-P-C4' energy: -65.862 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -25.808 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: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -462.341293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.341293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.341293 (E_RNA) where: Base-Base interactions energy: -237.595 where: short stacking energy: -136.263 Base-Backbone interact. energy: -0.941 local terms energy: -223.804618 where: bonds (distance) C4'-P energy: -54.566 bonds (distance) P-C4' energy: -53.254 flat angles C4'-P-C4' energy: -45.634 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -26.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -341.848016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.848016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.848016 (E_RNA) where: Base-Base interactions energy: -144.133 where: short stacking energy: -103.830 Base-Backbone interact. energy: -0.273 local terms energy: -197.442316 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -63.337 flat angles C4'-P-C4' energy: -57.139 flat angles P-C4'-P energy: -31.507 tors. eta vs tors. theta energy: 10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1254.199006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.199006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.199006 (E_RNA) where: Base-Base interactions energy: -886.059 where: short stacking energy: -358.898 Base-Backbone interact. energy: -1.562 local terms energy: -366.577713 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -74.561 flat angles C4'-P-C4' energy: -77.904 flat angles P-C4'-P energy: -43.167 tors. eta vs tors. theta energy: -101.351 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: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1213.926689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.926689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.926689 (E_RNA) where: Base-Base interactions energy: -848.321 where: short stacking energy: -366.948 Base-Backbone interact. energy: -1.021 local terms energy: -364.584867 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -73.096 flat angles C4'-P-C4' energy: -72.329 flat angles P-C4'-P energy: -51.409 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1135.895036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.895036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.895036 (E_RNA) where: Base-Base interactions energy: -779.186 where: short stacking energy: -314.066 Base-Backbone interact. energy: 1.465 local terms energy: -358.173804 where: bonds (distance) C4'-P energy: -65.066 bonds (distance) P-C4' energy: -78.423 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -49.037 tors. eta vs tors. theta energy: -91.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1079.688704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.688704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.688704 (E_RNA) where: Base-Base interactions energy: -736.193 where: short stacking energy: -284.295 Base-Backbone interact. energy: -1.712 local terms energy: -341.783868 where: bonds (distance) C4'-P energy: -73.119 bonds (distance) P-C4' energy: -73.625 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -46.170 tors. eta vs tors. theta energy: -79.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -971.417298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.417298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.417298 (E_RNA) where: Base-Base interactions energy: -647.168 where: short stacking energy: -263.363 Base-Backbone interact. energy: -1.207 local terms energy: -323.042357 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -67.294 flat angles P-C4'-P energy: -57.676 tors. eta vs tors. theta energy: -70.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -958.540471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.540471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.540471 (E_RNA) where: Base-Base interactions energy: -643.758 where: short stacking energy: -270.085 Base-Backbone interact. energy: -2.385 local terms energy: -312.397790 where: bonds (distance) C4'-P energy: -52.334 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -72.134 flat angles P-C4'-P energy: -41.736 tors. eta vs tors. theta energy: -76.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -819.261958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.261958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.261958 (E_RNA) where: Base-Base interactions energy: -524.980 where: short stacking energy: -231.139 Base-Backbone interact. energy: -1.602 local terms energy: -292.679967 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -51.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -549.510364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.510364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.510364 (E_RNA) where: Base-Base interactions energy: -282.298 where: short stacking energy: -139.825 Base-Backbone interact. energy: -1.042 local terms energy: -266.171300 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -65.094 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -19.275 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: 375 Temperature: 1.300000 Total energy: -486.107953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.107953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.107953 (E_RNA) where: Base-Base interactions energy: -267.725 where: short stacking energy: -134.136 Base-Backbone interact. energy: -1.786 local terms energy: -216.597789 where: bonds (distance) C4'-P energy: -58.197 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -55.116 flat angles P-C4'-P energy: -26.698 tors. eta vs tors. theta energy: -12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -285.312454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.312454 (E_RNA) where: Base-Base interactions energy: -104.483 where: short stacking energy: -66.078 Base-Backbone interact. energy: 5.727 local terms energy: -186.556591 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -46.904 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: 25.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1242.454625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.454625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.454625 (E_RNA) where: Base-Base interactions energy: -870.130 where: short stacking energy: -359.246 Base-Backbone interact. energy: -0.327 local terms energy: -371.997286 where: bonds (distance) C4'-P energy: -69.764 bonds (distance) P-C4' energy: -76.013 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -101.722 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: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1187.627692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.627692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.627692 (E_RNA) where: Base-Base interactions energy: -810.469 where: short stacking energy: -358.161 Base-Backbone interact. energy: -0.778 local terms energy: -376.380439 where: bonds (distance) C4'-P energy: -73.057 bonds (distance) P-C4' energy: -62.737 flat angles C4'-P-C4' energy: -79.710 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -108.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1113.673612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.673612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.673612 (E_RNA) where: Base-Base interactions energy: -743.136 where: short stacking energy: -308.040 Base-Backbone interact. energy: -1.826 local terms energy: -368.710942 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -72.525 flat angles C4'-P-C4' energy: -75.939 flat angles P-C4'-P energy: -58.786 tors. eta vs tors. theta energy: -90.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1072.051989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.051989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.051989 (E_RNA) where: Base-Base interactions energy: -744.373 where: short stacking energy: -287.354 Base-Backbone interact. energy: -2.114 local terms energy: -325.565469 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -68.823 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -45.645 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: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1043.996955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.996955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.996955 (E_RNA) where: Base-Base interactions energy: -710.147 where: short stacking energy: -292.169 Base-Backbone interact. energy: -2.210 local terms energy: -331.640192 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -74.861 flat angles C4'-P-C4' energy: -79.251 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -78.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -961.458521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.458521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.458521 (E_RNA) where: Base-Base interactions energy: -630.786 where: short stacking energy: -265.927 Base-Backbone interact. energy: -1.089 local terms energy: -329.583000 where: bonds (distance) C4'-P energy: -71.125 bonds (distance) P-C4' energy: -69.496 flat angles C4'-P-C4' energy: -66.899 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -72.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -841.337713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.337713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.337713 (E_RNA) where: Base-Base interactions energy: -530.146 where: short stacking energy: -236.781 Base-Backbone interact. energy: -0.650 local terms energy: -310.541339 where: bonds (distance) C4'-P energy: -63.801 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -69.153 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -71.383 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: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -496.823641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.823641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.823641 (E_RNA) where: Base-Base interactions energy: -259.086 where: short stacking energy: -154.285 Base-Backbone interact. energy: -1.160 local terms energy: -236.578060 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -34.136 tors. eta vs tors. theta energy: -20.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -435.130564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.130564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.130564 (E_RNA) where: Base-Base interactions energy: -206.342 where: short stacking energy: -112.595 Base-Backbone interact. energy: -1.635 local terms energy: -227.153869 where: bonds (distance) C4'-P energy: -54.792 bonds (distance) P-C4' energy: -83.206 flat angles C4'-P-C4' energy: -51.060 flat angles P-C4'-P energy: -26.670 tors. eta vs tors. theta energy: -11.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -273.021515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.021515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.021515 (E_RNA) where: Base-Base interactions energy: -84.647 where: short stacking energy: -66.518 Base-Backbone interact. energy: -0.854 local terms energy: -187.519750 where: bonds (distance) C4'-P energy: -63.818 bonds (distance) P-C4' energy: -68.002 flat angles C4'-P-C4' energy: -46.352 flat angles P-C4'-P energy: -25.074 tors. eta vs tors. theta energy: 15.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1262.972184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.972184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.972184 (E_RNA) where: Base-Base interactions energy: -863.832 where: short stacking energy: -366.933 Base-Backbone interact. energy: -2.383 local terms energy: -396.756607 where: bonds (distance) C4'-P energy: -71.288 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -66.103 tors. eta vs tors. theta energy: -107.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1210.791817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.791817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.791817 (E_RNA) where: Base-Base interactions energy: -834.919 where: short stacking energy: -356.102 Base-Backbone interact. energy: 1.602 local terms energy: -377.474587 where: bonds (distance) C4'-P energy: -66.482 bonds (distance) P-C4' energy: -64.535 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -106.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1144.644850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.644850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.644850 (E_RNA) where: Base-Base interactions energy: -767.505 where: short stacking energy: -314.421 Base-Backbone interact. energy: -1.686 local terms energy: -375.453869 where: bonds (distance) C4'-P energy: -77.147 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -77.846 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -101.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1065.212149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.212149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.212149 (E_RNA) where: Base-Base interactions energy: -734.864 where: short stacking energy: -304.907 Base-Backbone interact. energy: 0.137 local terms energy: -330.485321 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -47.552 tors. eta vs tors. theta energy: -84.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1008.233291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.233291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.233291 (E_RNA) where: Base-Base interactions energy: -681.453 where: short stacking energy: -279.426 Base-Backbone interact. energy: -1.785 local terms energy: -324.995039 where: bonds (distance) C4'-P energy: -71.488 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -75.600 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -76.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -966.893052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.893052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.893052 (E_RNA) where: Base-Base interactions energy: -624.111 where: short stacking energy: -269.509 Base-Backbone interact. energy: -1.495 local terms energy: -341.286802 where: bonds (distance) C4'-P energy: -71.643 bonds (distance) P-C4' energy: -76.969 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: -80.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -852.808779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.808779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.808779 (E_RNA) where: Base-Base interactions energy: -578.680 where: short stacking energy: -247.164 Base-Backbone interact. energy: -1.413 local terms energy: -272.715597 where: bonds (distance) C4'-P energy: -53.416 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -34.586 tors. eta vs tors. theta energy: -61.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -583.513372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.513372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.513372 (E_RNA) where: Base-Base interactions energy: -346.975 where: short stacking energy: -174.290 Base-Backbone interact. energy: 0.272 local terms energy: -236.810402 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -60.554 flat angles P-C4'-P energy: -32.801 tors. eta vs tors. theta energy: -23.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -474.118657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.118657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.118657 (E_RNA) where: Base-Base interactions energy: -238.256 where: short stacking energy: -124.420 Base-Backbone interact. energy: 0.505 local terms energy: -236.367594 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -71.941 flat angles P-C4'-P energy: -23.527 tors. eta vs tors. theta energy: -18.842 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: 377 Temperature: 1.350000 Total energy: -275.805408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.805408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.805408 (E_RNA) where: Base-Base interactions energy: -94.036 where: short stacking energy: -77.883 Base-Backbone interact. energy: 0.843 local terms energy: -182.612730 where: bonds (distance) C4'-P energy: -53.339 bonds (distance) P-C4' energy: -65.445 flat angles C4'-P-C4' energy: -58.381 flat angles P-C4'-P energy: -24.150 tors. eta vs tors. theta energy: 18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1271.176098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.176098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.176098 (E_RNA) where: Base-Base interactions energy: -882.199 where: short stacking energy: -366.729 Base-Backbone interact. energy: -1.292 local terms energy: -387.685173 where: bonds (distance) C4'-P energy: -76.921 bonds (distance) P-C4' energy: -73.355 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -105.211 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: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1216.893893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.893893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.893893 (E_RNA) where: Base-Base interactions energy: -838.162 where: short stacking energy: -350.623 Base-Backbone interact. energy: 0.935 local terms energy: -379.666416 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -80.545 flat angles P-C4'-P energy: -57.510 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: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1131.280861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.280861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.280861 (E_RNA) where: Base-Base interactions energy: -767.376 where: short stacking energy: -328.538 Base-Backbone interact. energy: -3.187 local terms energy: -360.718275 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -63.039 flat angles C4'-P-C4' energy: -78.635 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -100.831 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: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1092.506991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.506991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.506991 (E_RNA) where: Base-Base interactions energy: -760.682 where: short stacking energy: -289.152 Base-Backbone interact. energy: -1.556 local terms energy: -330.269403 where: bonds (distance) C4'-P energy: -74.684 bonds (distance) P-C4' energy: -73.445 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -77.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -988.527891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.527891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.527891 (E_RNA) where: Base-Base interactions energy: -656.458 where: short stacking energy: -283.974 Base-Backbone interact. energy: -0.222 local terms energy: -331.848130 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -64.681 flat angles C4'-P-C4' energy: -77.224 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -86.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -925.362868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.362868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.362868 (E_RNA) where: Base-Base interactions energy: -593.407 where: short stacking energy: -250.487 Base-Backbone interact. energy: -1.357 local terms energy: -330.598377 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -71.172 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -72.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -777.218936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.218936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.218936 (E_RNA) where: Base-Base interactions energy: -496.191 where: short stacking energy: -202.645 Base-Backbone interact. energy: -0.171 local terms energy: -280.857424 where: bonds (distance) C4'-P energy: -70.968 bonds (distance) P-C4' energy: -43.792 flat angles C4'-P-C4' energy: -66.248 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -50.697 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: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -554.115732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.115732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.115732 (E_RNA) where: Base-Base interactions energy: -320.383 where: short stacking energy: -160.595 Base-Backbone interact. energy: -0.871 local terms energy: -232.862162 where: bonds (distance) C4'-P energy: -52.537 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -64.536 flat angles P-C4'-P energy: -28.901 tors. eta vs tors. theta energy: -21.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -469.813929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.813929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.813929 (E_RNA) where: Base-Base interactions energy: -239.442 where: short stacking energy: -120.757 Base-Backbone interact. energy: -1.510 local terms energy: -228.862468 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -72.529 flat angles C4'-P-C4' energy: -51.128 flat angles P-C4'-P energy: -35.496 tors. eta vs tors. theta energy: -10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -300.111551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.111551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.111551 (E_RNA) where: Base-Base interactions energy: -107.238 where: short stacking energy: -83.885 Base-Backbone interact. energy: -0.219 local terms energy: -192.654470 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -67.081 flat angles C4'-P-C4' energy: -51.090 flat angles P-C4'-P energy: -25.676 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: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1251.893081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.893081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.893081 (E_RNA) where: Base-Base interactions energy: -881.167 where: short stacking energy: -357.238 Base-Backbone interact. energy: -1.232 local terms energy: -369.493993 where: bonds (distance) C4'-P energy: -74.340 bonds (distance) P-C4' energy: -59.198 flat angles C4'-P-C4' energy: -77.646 flat angles P-C4'-P energy: -51.960 tors. eta vs tors. theta energy: -106.349 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: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1182.423238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.423238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.423238 (E_RNA) where: Base-Base interactions energy: -801.134 where: short stacking energy: -334.631 Base-Backbone interact. energy: 1.912 local terms energy: -383.201312 where: bonds (distance) C4'-P energy: -75.962 bonds (distance) P-C4' energy: -73.839 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -55.037 tors. eta vs tors. theta energy: -98.154 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: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1111.211099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.211099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.211099 (E_RNA) where: Base-Base interactions energy: -742.565 where: short stacking energy: -292.535 Base-Backbone interact. energy: 3.224 local terms energy: -371.870453 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -74.942 flat angles C4'-P-C4' energy: -76.524 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -98.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1096.215718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.215718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.215718 (E_RNA) where: Base-Base interactions energy: -762.844 where: short stacking energy: -297.413 Base-Backbone interact. energy: -1.929 local terms energy: -331.442356 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -68.543 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -74.814 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: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1004.548113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.548113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.548113 (E_RNA) where: Base-Base interactions energy: -660.062 where: short stacking energy: -276.635 Base-Backbone interact. energy: 0.059 local terms energy: -344.544518 where: bonds (distance) C4'-P energy: -67.858 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -72.290 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -77.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -953.190947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.190947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.190947 (E_RNA) where: Base-Base interactions energy: -630.208 where: short stacking energy: -299.987 Base-Backbone interact. energy: -0.293 local terms energy: -322.689896 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -70.896 flat angles P-C4'-P energy: -39.696 tors. eta vs tors. theta energy: -88.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -802.005504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.005504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.005504 (E_RNA) where: Base-Base interactions energy: -501.269 where: short stacking energy: -228.558 Base-Backbone interact. energy: -1.045 local terms energy: -299.690863 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -61.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -535.092556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.092556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.092556 (E_RNA) where: Base-Base interactions energy: -297.818 where: short stacking energy: -153.368 Base-Backbone interact. energy: 0.664 local terms energy: -237.938229 where: bonds (distance) C4'-P energy: -60.909 bonds (distance) P-C4' energy: -47.013 flat angles C4'-P-C4' energy: -70.000 flat angles P-C4'-P energy: -42.385 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -478.324231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.324231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.324231 (E_RNA) where: Base-Base interactions energy: -235.615 where: short stacking energy: -135.010 Base-Backbone interact. energy: -1.128 local terms energy: -241.580663 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -65.117 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -36.835 tors. eta vs tors. theta energy: -24.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -308.822704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.822704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.822704 (E_RNA) where: Base-Base interactions energy: -114.739 where: short stacking energy: -85.330 Base-Backbone interact. energy: -0.792 local terms energy: -193.291561 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -51.417 flat angles P-C4'-P energy: -18.084 tors. eta vs tors. theta energy: 0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1235.445467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.445467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.445467 (E_RNA) where: Base-Base interactions energy: -855.491 where: short stacking energy: -350.183 Base-Backbone interact. energy: -1.108 local terms energy: -378.846576 where: bonds (distance) C4'-P energy: -62.764 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -109.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1197.410959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.410959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.410959 (E_RNA) where: Base-Base interactions energy: -835.175 where: short stacking energy: -349.282 Base-Backbone interact. energy: -1.966 local terms energy: -360.270018 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -87.560 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -98.514 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: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1110.926425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.926425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.926425 (E_RNA) where: Base-Base interactions energy: -754.561 where: short stacking energy: -290.315 Base-Backbone interact. energy: -1.345 local terms energy: -355.020802 where: bonds (distance) C4'-P energy: -72.007 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -83.710 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -85.151 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: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1103.701473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.701473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.701473 (E_RNA) where: Base-Base interactions energy: -773.392 where: short stacking energy: -283.920 Base-Backbone interact. energy: -0.429 local terms energy: -329.880403 where: bonds (distance) C4'-P energy: -64.091 bonds (distance) P-C4' energy: -62.469 flat angles C4'-P-C4' energy: -80.800 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -84.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -992.922149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.922149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.922149 (E_RNA) where: Base-Base interactions energy: -671.281 where: short stacking energy: -292.357 Base-Backbone interact. energy: 1.390 local terms energy: -323.030360 where: bonds (distance) C4'-P energy: -62.970 bonds (distance) P-C4' energy: -65.266 flat angles C4'-P-C4' energy: -72.937 flat angles P-C4'-P energy: -52.702 tors. eta vs tors. theta energy: -69.156 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -972.992553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.992553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.992553 (E_RNA) where: Base-Base interactions energy: -652.077 where: short stacking energy: -296.300 Base-Backbone interact. energy: -0.675 local terms energy: -320.240970 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -60.774 flat angles C4'-P-C4' energy: -59.848 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -89.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -809.008130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.008130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.008130 (E_RNA) where: Base-Base interactions energy: -532.149 where: short stacking energy: -230.980 Base-Backbone interact. energy: 1.165 local terms energy: -278.023958 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -67.821 flat angles C4'-P-C4' energy: -47.881 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -59.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -521.606479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.606479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.606479 (E_RNA) where: Base-Base interactions energy: -264.902 where: short stacking energy: -123.575 Base-Backbone interact. energy: -1.594 local terms energy: -255.110347 where: bonds (distance) C4'-P energy: -68.996 bonds (distance) P-C4' energy: -68.109 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -34.564 tors. eta vs tors. theta energy: -18.629 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -504.678551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.678551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.678551 (E_RNA) where: Base-Base interactions energy: -252.554 where: short stacking energy: -136.289 Base-Backbone interact. energy: -0.139 local terms energy: -251.985439 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -62.831 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -20.339 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: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -298.606880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.606880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.606880 (E_RNA) where: Base-Base interactions energy: -119.730 where: short stacking energy: -106.235 Base-Backbone interact. energy: 0.619 local terms energy: -179.495757 where: bonds (distance) C4'-P energy: -42.922 bonds (distance) P-C4' energy: -65.347 flat angles C4'-P-C4' energy: -42.934 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: 5.241 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: 381 Temperature: 0.900000 Total energy: -1265.045969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.045969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.045969 (E_RNA) where: Base-Base interactions energy: -863.679 where: short stacking energy: -352.377 Base-Backbone interact. energy: -1.548 local terms energy: -399.818316 where: bonds (distance) C4'-P energy: -81.756 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -78.890 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -109.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1192.934343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.934343 (E_RNA) where: Base-Base interactions energy: -822.062 where: short stacking energy: -339.201 Base-Backbone interact. energy: -2.405 local terms energy: -368.467788 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -75.156 flat angles C4'-P-C4' energy: -72.416 flat angles P-C4'-P energy: -57.224 tors. eta vs tors. theta energy: -102.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1123.603345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.603345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.603345 (E_RNA) where: Base-Base interactions energy: -759.221 where: short stacking energy: -302.525 Base-Backbone interact. energy: 2.204 local terms energy: -366.585972 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -71.842 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -90.003 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: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1053.818687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.818687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.818687 (E_RNA) where: Base-Base interactions energy: -704.121 where: short stacking energy: -288.606 Base-Backbone interact. energy: -1.642 local terms energy: -348.055711 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -68.971 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -83.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1061.728077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.728077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.728077 (E_RNA) where: Base-Base interactions energy: -748.452 where: short stacking energy: -283.130 Base-Backbone interact. energy: -1.921 local terms energy: -311.355213 where: bonds (distance) C4'-P energy: -53.678 bonds (distance) P-C4' energy: -62.496 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -77.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -947.079856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.079856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.079856 (E_RNA) where: Base-Base interactions energy: -629.658 where: short stacking energy: -293.134 Base-Backbone interact. energy: -0.524 local terms energy: -316.898359 where: bonds (distance) C4'-P energy: -68.119 bonds (distance) P-C4' energy: -55.154 flat angles C4'-P-C4' energy: -67.176 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -83.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -832.610458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.610458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.610458 (E_RNA) where: Base-Base interactions energy: -538.567 where: short stacking energy: -260.399 Base-Backbone interact. energy: -1.732 local terms energy: -292.310749 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -63.089 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -32.372 tors. eta vs tors. theta energy: -67.460 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: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -539.898859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.898859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.898859 (E_RNA) where: Base-Base interactions energy: -290.321 where: short stacking energy: -146.570 Base-Backbone interact. energy: 2.605 local terms energy: -252.182298 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -70.618 flat angles C4'-P-C4' energy: -61.335 flat angles P-C4'-P energy: -38.040 tors. eta vs tors. theta energy: -13.113 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: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -459.499698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.499698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.499698 (E_RNA) where: Base-Base interactions energy: -247.439 where: short stacking energy: -127.968 Base-Backbone interact. energy: -0.628 local terms energy: -211.432500 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -53.499 flat angles P-C4'-P energy: -27.843 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -312.811069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.811069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.811069 (E_RNA) where: Base-Base interactions energy: -132.399 where: short stacking energy: -75.381 Base-Backbone interact. energy: -1.311 local terms energy: -179.100908 where: bonds (distance) C4'-P energy: -56.779 bonds (distance) P-C4' energy: -54.481 flat angles C4'-P-C4' energy: -42.314 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: 16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1253.398192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.398192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.398192 (E_RNA) where: Base-Base interactions energy: -867.057 where: short stacking energy: -357.165 Base-Backbone interact. energy: -2.185 local terms energy: -384.155992 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -80.338 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -109.617 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: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1198.834736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.834736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.834736 (E_RNA) where: Base-Base interactions energy: -828.477 where: short stacking energy: -352.821 Base-Backbone interact. energy: -1.814 local terms energy: -368.543636 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -74.403 flat angles C4'-P-C4' energy: -79.780 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -104.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1122.719355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.719355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.719355 (E_RNA) where: Base-Base interactions energy: -768.001 where: short stacking energy: -305.371 Base-Backbone interact. energy: -0.781 local terms energy: -353.938233 where: bonds (distance) C4'-P energy: -67.061 bonds (distance) P-C4' energy: -66.517 flat angles C4'-P-C4' energy: -79.133 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -94.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1030.651586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.651586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.651586 (E_RNA) where: Base-Base interactions energy: -693.294 where: short stacking energy: -302.909 Base-Backbone interact. energy: 0.283 local terms energy: -337.640222 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -77.179 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -82.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1024.943735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.943735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.943735 (E_RNA) where: Base-Base interactions energy: -715.224 where: short stacking energy: -246.754 Base-Backbone interact. energy: 0.081 local terms energy: -309.800591 where: bonds (distance) C4'-P energy: -74.936 bonds (distance) P-C4' energy: -68.252 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -54.575 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: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -967.164609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.164609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.164609 (E_RNA) where: Base-Base interactions energy: -636.310 where: short stacking energy: -281.735 Base-Backbone interact. energy: 1.440 local terms energy: -332.294546 where: bonds (distance) C4'-P energy: -69.294 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -76.204 flat angles P-C4'-P energy: -33.464 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: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -816.148084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.148084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.148084 (E_RNA) where: Base-Base interactions energy: -538.825 where: short stacking energy: -226.123 Base-Backbone interact. energy: -0.964 local terms energy: -276.358732 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -62.896 flat angles C4'-P-C4' energy: -68.652 flat angles P-C4'-P energy: -34.820 tors. eta vs tors. theta energy: -54.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -500.843743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.843743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.843743 (E_RNA) where: Base-Base interactions energy: -270.914 where: short stacking energy: -154.003 Base-Backbone interact. energy: -1.170 local terms energy: -228.760204 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -53.671 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -30.370 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -487.195062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.195062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.195062 (E_RNA) where: Base-Base interactions energy: -259.577 where: short stacking energy: -144.564 Base-Backbone interact. energy: 2.742 local terms energy: -230.360065 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -71.649 flat angles C4'-P-C4' energy: -49.859 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -298.138646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.138646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.138646 (E_RNA) where: Base-Base interactions energy: -89.462 where: short stacking energy: -76.459 Base-Backbone interact. energy: -1.304 local terms energy: -207.372169 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -67.121 flat angles P-C4'-P energy: -29.682 tors. eta vs tors. theta energy: 18.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1256.954570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.954570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.954570 (E_RNA) where: Base-Base interactions energy: -858.946 where: short stacking energy: -365.762 Base-Backbone interact. energy: -2.811 local terms energy: -395.197567 where: bonds (distance) C4'-P energy: -69.194 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -81.589 flat angles P-C4'-P energy: -50.069 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: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1225.730227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.730227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.730227 (E_RNA) where: Base-Base interactions energy: -824.013 where: short stacking energy: -343.844 Base-Backbone interact. energy: -1.494 local terms energy: -400.222646 where: bonds (distance) C4'-P energy: -78.247 bonds (distance) P-C4' energy: -79.678 flat angles C4'-P-C4' energy: -85.046 flat angles P-C4'-P energy: -50.879 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: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1094.677175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.677175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.677175 (E_RNA) where: Base-Base interactions energy: -750.749 where: short stacking energy: -304.751 Base-Backbone interact. energy: -0.391 local terms energy: -343.537279 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -66.763 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -51.403 tors. eta vs tors. theta energy: -87.064 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: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1072.170394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.170394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.170394 (E_RNA) where: Base-Base interactions energy: -716.111 where: short stacking energy: -307.691 Base-Backbone interact. energy: 0.350 local terms energy: -356.409325 where: bonds (distance) C4'-P energy: -72.390 bonds (distance) P-C4' energy: -68.482 flat angles C4'-P-C4' energy: -77.919 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -85.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1055.564770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.564770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.564770 (E_RNA) where: Base-Base interactions energy: -735.572 where: short stacking energy: -270.142 Base-Backbone interact. energy: -1.378 local terms energy: -318.613954 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -67.810 flat angles C4'-P-C4' energy: -80.229 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -66.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -931.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.876321 (E_RNA) where: Base-Base interactions energy: -610.960 where: short stacking energy: -270.922 Base-Backbone interact. energy: -1.339 local terms energy: -319.578033 where: bonds (distance) C4'-P energy: -67.320 bonds (distance) P-C4' energy: -62.394 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -44.579 tors. eta vs tors. theta energy: -73.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -787.939300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.939300 (E_RNA) where: Base-Base interactions energy: -492.102 where: short stacking energy: -210.332 Base-Backbone interact. energy: 0.146 local terms energy: -295.983036 where: bonds (distance) C4'-P energy: -67.985 bonds (distance) P-C4' energy: -67.745 flat angles C4'-P-C4' energy: -75.509 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -44.922 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: 383 Temperature: 1.250000 Total energy: -496.945498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.945498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.945498 (E_RNA) where: Base-Base interactions energy: -266.553 where: short stacking energy: -131.227 Base-Backbone interact. energy: 2.999 local terms energy: -233.391088 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -50.996 flat angles C4'-P-C4' energy: -57.320 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -473.060011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.060011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.060011 (E_RNA) where: Base-Base interactions energy: -249.086 where: short stacking energy: -135.591 Base-Backbone interact. energy: -1.583 local terms energy: -222.390210 where: bonds (distance) C4'-P energy: -57.218 bonds (distance) P-C4' energy: -65.998 flat angles C4'-P-C4' energy: -50.785 flat angles P-C4'-P energy: -35.875 tors. eta vs tors. theta energy: -12.514 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: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -283.360973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.360973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.360973 (E_RNA) where: Base-Base interactions energy: -115.397 where: short stacking energy: -85.875 Base-Backbone interact. energy: 1.219 local terms energy: -169.183222 where: bonds (distance) C4'-P energy: -61.187 bonds (distance) P-C4' energy: -46.826 flat angles C4'-P-C4' energy: -42.853 flat angles P-C4'-P energy: -25.643 tors. eta vs tors. theta energy: 7.327 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: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1249.092226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.092226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.092226 (E_RNA) where: Base-Base interactions energy: -861.894 where: short stacking energy: -366.779 Base-Backbone interact. energy: -2.317 local terms energy: -384.881148 where: bonds (distance) C4'-P energy: -81.143 bonds (distance) P-C4' energy: -66.794 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -54.647 tors. eta vs tors. theta energy: -106.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1217.056957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.056957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.056957 (E_RNA) where: Base-Base interactions energy: -832.376 where: short stacking energy: -331.250 Base-Backbone interact. energy: -0.294 local terms energy: -384.387458 where: bonds (distance) C4'-P energy: -68.337 bonds (distance) P-C4' energy: -81.709 flat angles C4'-P-C4' energy: -71.567 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: -114.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1091.220969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.220969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.220969 (E_RNA) where: Base-Base interactions energy: -741.884 where: short stacking energy: -293.370 Base-Backbone interact. energy: -2.368 local terms energy: -346.968805 where: bonds (distance) C4'-P energy: -70.183 bonds (distance) P-C4' energy: -74.681 flat angles C4'-P-C4' energy: -77.171 flat angles P-C4'-P energy: -38.716 tors. eta vs tors. theta energy: -86.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1055.317249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.317249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.317249 (E_RNA) where: Base-Base interactions energy: -723.884 where: short stacking energy: -302.335 Base-Backbone interact. energy: -1.101 local terms energy: -330.332636 where: bonds (distance) C4'-P energy: -60.159 bonds (distance) P-C4' energy: -63.983 flat angles C4'-P-C4' energy: -75.608 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -85.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -922.128716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.128716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.128716 (E_RNA) where: Base-Base interactions energy: -601.182 where: short stacking energy: -276.957 Base-Backbone interact. energy: -1.207 local terms energy: -319.739020 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -65.429 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -75.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1007.306058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.306058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.306058 (E_RNA) where: Base-Base interactions energy: -701.834 where: short stacking energy: -264.919 Base-Backbone interact. energy: -1.269 local terms energy: -304.203048 where: bonds (distance) C4'-P energy: -73.371 bonds (distance) P-C4' energy: -67.381 flat angles C4'-P-C4' energy: -61.688 flat angles P-C4'-P energy: -29.478 tors. eta vs tors. theta energy: -72.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -781.568739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.568739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.568739 (E_RNA) where: Base-Base interactions energy: -491.052 where: short stacking energy: -211.751 Base-Backbone interact. energy: -0.639 local terms energy: -289.878038 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -62.123 flat angles C4'-P-C4' energy: -54.413 flat angles P-C4'-P energy: -51.375 tors. eta vs tors. theta energy: -52.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -491.297695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.297695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.297695 (E_RNA) where: Base-Base interactions energy: -275.265 where: short stacking energy: -155.619 Base-Backbone interact. energy: 1.859 local terms energy: -217.890788 where: bonds (distance) C4'-P energy: -44.897 bonds (distance) P-C4' energy: -65.148 flat angles C4'-P-C4' energy: -52.289 flat angles P-C4'-P energy: -30.555 tors. eta vs tors. theta energy: -25.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -484.857959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.857959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.857959 (E_RNA) where: Base-Base interactions energy: -247.729 where: short stacking energy: -131.611 Base-Backbone interact. energy: -2.381 local terms energy: -234.747900 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -44.207 flat angles P-C4'-P energy: -35.140 tors. eta vs tors. theta energy: -17.788 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: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -285.080363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.080363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.080363 (E_RNA) where: Base-Base interactions energy: -95.980 where: short stacking energy: -77.714 Base-Backbone interact. energy: -1.188 local terms energy: -187.912152 where: bonds (distance) C4'-P energy: -34.983 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -59.147 flat angles P-C4'-P energy: -32.123 tors. eta vs tors. theta energy: 12.371 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: 385 Temperature: 0.900000 Total energy: -1222.972566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.972566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.972566 (E_RNA) where: Base-Base interactions energy: -843.895 where: short stacking energy: -354.620 Base-Backbone interact. energy: -0.706 local terms energy: -378.371065 where: bonds (distance) C4'-P energy: -67.182 bonds (distance) P-C4' energy: -68.844 flat angles C4'-P-C4' energy: -82.173 flat angles P-C4'-P energy: -50.887 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: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1189.406625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.406625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.406625 (E_RNA) where: Base-Base interactions energy: -826.922 where: short stacking energy: -342.150 Base-Backbone interact. energy: -1.953 local terms energy: -360.531480 where: bonds (distance) C4'-P energy: -55.115 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -84.037 flat angles P-C4'-P energy: -51.743 tors. eta vs tors. theta energy: -102.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1090.720074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.720074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.720074 (E_RNA) where: Base-Base interactions energy: -741.308 where: short stacking energy: -316.992 Base-Backbone interact. energy: -0.995 local terms energy: -348.417655 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -77.550 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -88.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1037.348135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.348135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.348135 (E_RNA) where: Base-Base interactions energy: -690.377 where: short stacking energy: -286.032 Base-Backbone interact. energy: 0.058 local terms energy: -347.028310 where: bonds (distance) C4'-P energy: -72.348 bonds (distance) P-C4' energy: -66.441 flat angles C4'-P-C4' energy: -77.401 flat angles P-C4'-P energy: -47.042 tors. eta vs tors. theta energy: -83.797 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: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -928.813378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.813378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.813378 (E_RNA) where: Base-Base interactions energy: -607.505 where: short stacking energy: -267.382 Base-Backbone interact. energy: -1.416 local terms energy: -319.892764 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -70.947 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -80.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -990.549117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.549117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.549117 (E_RNA) where: Base-Base interactions energy: -685.000 where: short stacking energy: -260.362 Base-Backbone interact. energy: -2.782 local terms energy: -302.768078 where: bonds (distance) C4'-P energy: -68.724 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -64.771 flat angles P-C4'-P energy: -42.731 tors. eta vs tors. theta energy: -68.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -799.113143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.113143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.113143 (E_RNA) where: Base-Base interactions energy: -500.569 where: short stacking energy: -224.766 Base-Backbone interact. energy: 0.170 local terms energy: -298.714148 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: -53.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -499.913224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.913224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.913224 (E_RNA) where: Base-Base interactions energy: -248.298 where: short stacking energy: -140.073 Base-Backbone interact. energy: -1.590 local terms energy: -250.025187 where: bonds (distance) C4'-P energy: -58.204 bonds (distance) P-C4' energy: -69.240 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -15.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -485.535621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.535621 (E_RNA) where: Base-Base interactions energy: -255.485 where: short stacking energy: -121.926 Base-Backbone interact. energy: 0.122 local terms energy: -230.172818 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -63.962 flat angles C4'-P-C4' energy: -54.506 flat angles P-C4'-P energy: -40.547 tors. eta vs tors. theta energy: -8.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -292.815240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.815240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.815240 (E_RNA) where: Base-Base interactions energy: -91.020 where: short stacking energy: -80.507 Base-Backbone interact. energy: -0.697 local terms energy: -201.097858 where: bonds (distance) C4'-P energy: -49.526 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -50.160 flat angles P-C4'-P energy: -36.098 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: 386 Temperature: 0.900000 Total energy: -1236.850224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.850224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.850224 (E_RNA) where: Base-Base interactions energy: -838.241 where: short stacking energy: -346.074 Base-Backbone interact. energy: -3.908 local terms energy: -394.701853 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -82.713 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -111.607 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: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1197.364760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.364760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.364760 (E_RNA) where: Base-Base interactions energy: -797.909 where: short stacking energy: -325.523 Base-Backbone interact. energy: -1.523 local terms energy: -397.933193 where: bonds (distance) C4'-P energy: -77.215 bonds (distance) P-C4' energy: -77.438 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -103.108 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: 386 Temperature: 1.000000 Total energy: -1107.716569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.716569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.716569 (E_RNA) where: Base-Base interactions energy: -756.979 where: short stacking energy: -302.450 Base-Backbone interact. energy: -2.113 local terms energy: -348.624107 where: bonds (distance) C4'-P energy: -73.893 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -75.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1030.124350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.124350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.124350 (E_RNA) where: Base-Base interactions energy: -698.259 where: short stacking energy: -294.694 Base-Backbone interact. energy: -2.404 local terms energy: -329.461037 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -48.377 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -994.775006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.775006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.775006 (E_RNA) where: Base-Base interactions energy: -685.328 where: short stacking energy: -254.802 Base-Backbone interact. energy: 0.376 local terms energy: -309.822751 where: bonds (distance) C4'-P energy: -65.483 bonds (distance) P-C4' energy: -62.492 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -65.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -927.534789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.534789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.534789 (E_RNA) where: Base-Base interactions energy: -614.299 where: short stacking energy: -270.900 Base-Backbone interact. energy: 1.915 local terms energy: -315.151291 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -67.510 flat angles P-C4'-P energy: -44.350 tors. eta vs tors. theta energy: -83.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -783.691927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.691927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.691927 (E_RNA) where: Base-Base interactions energy: -503.815 where: short stacking energy: -228.885 Base-Backbone interact. energy: -0.658 local terms energy: -279.218434 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -61.811 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -49.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -523.472178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.472178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.472178 (E_RNA) where: Base-Base interactions energy: -274.144 where: short stacking energy: -155.542 Base-Backbone interact. energy: -1.644 local terms energy: -247.684149 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -62.682 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -26.314 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: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -474.177192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.177192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.177192 (E_RNA) where: Base-Base interactions energy: -232.259 where: short stacking energy: -120.464 Base-Backbone interact. energy: -0.480 local terms energy: -241.437850 where: bonds (distance) C4'-P energy: -54.603 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -64.894 flat angles P-C4'-P energy: -42.140 tors. eta vs tors. theta energy: -18.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -344.977570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.977570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.977570 (E_RNA) where: Base-Base interactions energy: -146.840 where: short stacking energy: -107.608 Base-Backbone interact. energy: 3.666 local terms energy: -201.804392 where: bonds (distance) C4'-P energy: -55.834 bonds (distance) P-C4' energy: -64.684 flat angles C4'-P-C4' energy: -47.352 flat angles P-C4'-P energy: -25.857 tors. eta vs tors. theta energy: -8.076 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: 387 Temperature: 0.900000 Total energy: -1233.876257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.876257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.876257 (E_RNA) where: Base-Base interactions energy: -860.181 where: short stacking energy: -356.945 Base-Backbone interact. energy: -2.448 local terms energy: -371.247579 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -55.047 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -55.383 tors. eta vs tors. theta energy: -106.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1203.880359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.880359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.880359 (E_RNA) where: Base-Base interactions energy: -820.008 where: short stacking energy: -338.955 Base-Backbone interact. energy: -1.376 local terms energy: -382.496177 where: bonds (distance) C4'-P energy: -67.114 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -78.603 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -106.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1114.092217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.092217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.092217 (E_RNA) where: Base-Base interactions energy: -765.913 where: short stacking energy: -310.844 Base-Backbone interact. energy: -2.818 local terms energy: -345.361195 where: bonds (distance) C4'-P energy: -72.401 bonds (distance) P-C4' energy: -66.295 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1020.092034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.092034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.092034 (E_RNA) where: Base-Base interactions energy: -678.806 where: short stacking energy: -303.301 Base-Backbone interact. energy: -0.119 local terms energy: -341.166430 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -75.766 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: -81.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1032.815306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.815306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.815306 (E_RNA) where: Base-Base interactions energy: -714.180 where: short stacking energy: -270.379 Base-Backbone interact. energy: -1.754 local terms energy: -316.881172 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -61.631 flat angles C4'-P-C4' energy: -72.697 flat angles P-C4'-P energy: -43.290 tors. eta vs tors. theta energy: -69.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -961.206551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.206551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.206551 (E_RNA) where: Base-Base interactions energy: -646.037 where: short stacking energy: -271.571 Base-Backbone interact. energy: -0.218 local terms energy: -314.951984 where: bonds (distance) C4'-P energy: -45.693 bonds (distance) P-C4' energy: -62.112 flat angles C4'-P-C4' energy: -66.445 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -84.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -749.296182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.296182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.296182 (E_RNA) where: Base-Base interactions energy: -462.193 where: short stacking energy: -213.105 Base-Backbone interact. energy: -1.355 local terms energy: -285.748098 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -60.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -483.560728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.560728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.560728 (E_RNA) where: Base-Base interactions energy: -241.669 where: short stacking energy: -123.502 Base-Backbone interact. energy: -1.647 local terms energy: -240.245022 where: bonds (distance) C4'-P energy: -61.360 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -30.009 tors. eta vs tors. theta energy: -16.583 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: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -460.245520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.245520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.245520 (E_RNA) where: Base-Base interactions energy: -236.005 where: short stacking energy: -116.573 Base-Backbone interact. energy: -1.198 local terms energy: -223.043144 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -55.019 flat angles C4'-P-C4' energy: -47.693 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -8.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -301.654221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.654221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.654221 (E_RNA) where: Base-Base interactions energy: -98.108 where: short stacking energy: -77.527 Base-Backbone interact. energy: 0.537 local terms energy: -204.083180 where: bonds (distance) C4'-P energy: -63.586 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -56.659 flat angles P-C4'-P energy: -29.859 tors. eta vs tors. theta energy: 9.159 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: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1247.423919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.423919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.423919 (E_RNA) where: Base-Base interactions energy: -872.521 where: short stacking energy: -361.460 Base-Backbone interact. energy: 0.717 local terms energy: -375.619941 where: bonds (distance) C4'-P energy: -70.626 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -77.021 flat angles P-C4'-P energy: -57.210 tors. eta vs tors. theta energy: -105.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1210.002002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.002002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.002002 (E_RNA) where: Base-Base interactions energy: -830.360 where: short stacking energy: -345.514 Base-Backbone interact. energy: 6.285 local terms energy: -385.927350 where: bonds (distance) C4'-P energy: -71.333 bonds (distance) P-C4' energy: -76.603 flat angles C4'-P-C4' energy: -80.582 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: -99.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1118.783497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.783497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.783497 (E_RNA) where: Base-Base interactions energy: -760.749 where: short stacking energy: -317.383 Base-Backbone interact. energy: 1.649 local terms energy: -359.683358 where: bonds (distance) C4'-P energy: -81.140 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -74.191 flat angles P-C4'-P energy: -49.061 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: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1021.407158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.407158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.407158 (E_RNA) where: Base-Base interactions energy: -666.788 where: short stacking energy: -306.303 Base-Backbone interact. energy: -0.152 local terms energy: -354.466776 where: bonds (distance) C4'-P energy: -62.248 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -92.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1060.566152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.566152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.566152 (E_RNA) where: Base-Base interactions energy: -724.669 where: short stacking energy: -284.378 Base-Backbone interact. energy: -1.670 local terms energy: -334.227749 where: bonds (distance) C4'-P energy: -69.863 bonds (distance) P-C4' energy: -70.836 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -79.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -914.767392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.767392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.767392 (E_RNA) where: Base-Base interactions energy: -595.718 where: short stacking energy: -263.336 Base-Backbone interact. energy: -0.784 local terms energy: -318.265712 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -53.906 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -74.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -782.651184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.651184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.651184 (E_RNA) where: Base-Base interactions energy: -469.666 where: short stacking energy: -225.487 Base-Backbone interact. energy: -1.583 local terms energy: -311.402573 where: bonds (distance) C4'-P energy: -70.288 bonds (distance) P-C4' energy: -66.542 flat angles C4'-P-C4' energy: -70.664 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -59.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -508.075713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.075713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.075713 (E_RNA) where: Base-Base interactions energy: -266.687 where: short stacking energy: -134.659 Base-Backbone interact. energy: 2.022 local terms energy: -243.411064 where: bonds (distance) C4'-P energy: -64.942 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -63.563 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: -11.909 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: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -475.359991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.359991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.359991 (E_RNA) where: Base-Base interactions energy: -273.650 where: short stacking energy: -147.099 Base-Backbone interact. energy: 0.464 local terms energy: -202.174229 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -47.491 flat angles C4'-P-C4' energy: -59.349 flat angles P-C4'-P energy: -14.210 tors. eta vs tors. theta energy: -14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -304.181507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.181507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.181507 (E_RNA) where: Base-Base interactions energy: -118.475 where: short stacking energy: -101.159 Base-Backbone interact. energy: -1.067 local terms energy: -184.639262 where: bonds (distance) C4'-P energy: -65.067 bonds (distance) P-C4' energy: -50.714 flat angles C4'-P-C4' energy: -46.109 flat angles P-C4'-P energy: -29.547 tors. eta vs tors. theta energy: 6.798 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: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1241.295109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.295109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.295109 (E_RNA) where: Base-Base interactions energy: -867.792 where: short stacking energy: -360.019 Base-Backbone interact. energy: -1.326 local terms energy: -372.177111 where: bonds (distance) C4'-P energy: -68.841 bonds (distance) P-C4' energy: -74.737 flat angles C4'-P-C4' energy: -75.768 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -103.915 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1141.277242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.277242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.277242 (E_RNA) where: Base-Base interactions energy: -773.662 where: short stacking energy: -318.134 Base-Backbone interact. energy: -1.345 local terms energy: -366.270985 where: bonds (distance) C4'-P energy: -72.257 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -54.405 tors. eta vs tors. theta energy: -93.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1177.415205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.415205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.415205 (E_RNA) where: Base-Base interactions energy: -816.492 where: short stacking energy: -347.077 Base-Backbone interact. energy: -0.009 local terms energy: -360.914236 where: bonds (distance) C4'-P energy: -68.272 bonds (distance) P-C4' energy: -66.786 flat angles C4'-P-C4' energy: -78.415 flat angles P-C4'-P energy: -41.366 tors. eta vs tors. theta energy: -106.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1114.142585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.142585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.142585 (E_RNA) where: Base-Base interactions energy: -771.711 where: short stacking energy: -291.975 Base-Backbone interact. energy: -0.126 local terms energy: -342.305464 where: bonds (distance) C4'-P energy: -73.280 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -77.190 flat angles P-C4'-P energy: -54.844 tors. eta vs tors. theta energy: -71.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -987.583166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.583166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.583166 (E_RNA) where: Base-Base interactions energy: -636.262 where: short stacking energy: -280.827 Base-Backbone interact. energy: -2.613 local terms energy: -348.708323 where: bonds (distance) C4'-P energy: -76.200 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -71.707 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -84.722 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: 389 Temperature: 1.150000 Total energy: -962.143508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.143508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.143508 (E_RNA) where: Base-Base interactions energy: -635.649 where: short stacking energy: -254.230 Base-Backbone interact. energy: -2.000 local terms energy: -324.494099 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -65.871 flat angles C4'-P-C4' energy: -68.458 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -79.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -750.858172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.858172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.858172 (E_RNA) where: Base-Base interactions energy: -463.387 where: short stacking energy: -197.532 Base-Backbone interact. energy: 3.829 local terms energy: -291.300428 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -84.442 flat angles C4'-P-C4' energy: -64.684 flat angles P-C4'-P energy: -40.580 tors. eta vs tors. theta energy: -38.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -494.548796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.548796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.548796 (E_RNA) where: Base-Base interactions energy: -259.838 where: short stacking energy: -123.178 Base-Backbone interact. energy: -2.367 local terms energy: -232.343896 where: bonds (distance) C4'-P energy: -60.878 bonds (distance) P-C4' energy: -71.877 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -37.703 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -501.346325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.346325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.346325 (E_RNA) where: Base-Base interactions energy: -277.266 where: short stacking energy: -167.328 Base-Backbone interact. energy: 0.613 local terms energy: -224.693798 where: bonds (distance) C4'-P energy: -47.207 bonds (distance) P-C4' energy: -63.686 flat angles C4'-P-C4' energy: -60.123 flat angles P-C4'-P energy: -30.845 tors. eta vs tors. theta energy: -22.832 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: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -294.908326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.908326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.908326 (E_RNA) where: Base-Base interactions energy: -90.699 where: short stacking energy: -63.044 Base-Backbone interact. energy: -0.123 local terms energy: -204.086511 where: bonds (distance) C4'-P energy: -56.000 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -59.584 flat angles P-C4'-P energy: -25.723 tors. eta vs tors. theta energy: 6.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1239.866399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.866399 (E_RNA) where: Base-Base interactions energy: -867.904 where: short stacking energy: -352.288 Base-Backbone interact. energy: 1.327 local terms energy: -373.288774 where: bonds (distance) C4'-P energy: -67.685 bonds (distance) P-C4' energy: -68.997 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -108.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1161.666438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.666438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.666438 (E_RNA) where: Base-Base interactions energy: -789.136 where: short stacking energy: -327.283 Base-Backbone interact. energy: -2.612 local terms energy: -369.917906 where: bonds (distance) C4'-P energy: -75.008 bonds (distance) P-C4' energy: -65.147 flat angles C4'-P-C4' energy: -77.484 flat angles P-C4'-P energy: -54.946 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: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1154.227796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.227796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.227796 (E_RNA) where: Base-Base interactions energy: -785.761 where: short stacking energy: -322.095 Base-Backbone interact. energy: -1.187 local terms energy: -367.280016 where: bonds (distance) C4'-P energy: -57.484 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -84.265 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -100.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1069.770078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.770078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.770078 (E_RNA) where: Base-Base interactions energy: -731.149 where: short stacking energy: -279.097 Base-Backbone interact. energy: -1.716 local terms energy: -336.905842 where: bonds (distance) C4'-P energy: -72.473 bonds (distance) P-C4' energy: -64.385 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: -74.808 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: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1001.608269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.608269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.608269 (E_RNA) where: Base-Base interactions energy: -671.296 where: short stacking energy: -289.919 Base-Backbone interact. energy: 1.877 local terms energy: -332.188732 where: bonds (distance) C4'-P energy: -51.541 bonds (distance) P-C4' energy: -70.964 flat angles C4'-P-C4' energy: -77.177 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -82.636 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: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -928.306562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.306562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.306562 (E_RNA) where: Base-Base interactions energy: -603.397 where: short stacking energy: -263.570 Base-Backbone interact. energy: -2.266 local terms energy: -322.643902 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -73.924 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -68.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -806.991456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.991456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.991456 (E_RNA) where: Base-Base interactions energy: -511.674 where: short stacking energy: -228.080 Base-Backbone interact. energy: 0.976 local terms energy: -296.293893 where: bonds (distance) C4'-P energy: -64.972 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -65.614 flat angles P-C4'-P energy: -43.043 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: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -498.557233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.557233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.557233 (E_RNA) where: Base-Base interactions energy: -245.386 where: short stacking energy: -138.302 Base-Backbone interact. energy: -0.954 local terms energy: -252.217229 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -71.242 flat angles P-C4'-P energy: -31.967 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -462.020632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.020632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.020632 (E_RNA) where: Base-Base interactions energy: -265.837 where: short stacking energy: -133.716 Base-Backbone interact. energy: 0.037 local terms energy: -196.220165 where: bonds (distance) C4'-P energy: -47.814 bonds (distance) P-C4' energy: -56.314 flat angles C4'-P-C4' energy: -56.499 flat angles P-C4'-P energy: -28.474 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -315.731229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.731229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.731229 (E_RNA) where: Base-Base interactions energy: -145.193 where: short stacking energy: -102.838 Base-Backbone interact. energy: -1.438 local terms energy: -169.099965 where: bonds (distance) C4'-P energy: -44.436 bonds (distance) P-C4' energy: -51.120 flat angles C4'-P-C4' energy: -55.072 flat angles P-C4'-P energy: -28.871 tors. eta vs tors. theta energy: 10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1255.834384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.834384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.834384 (E_RNA) where: Base-Base interactions energy: -867.534 where: short stacking energy: -365.905 Base-Backbone interact. energy: 1.230 local terms energy: -389.530521 where: bonds (distance) C4'-P energy: -75.119 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -77.532 flat angles P-C4'-P energy: -49.385 tors. eta vs tors. theta energy: -113.809 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: 9 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1200.597967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.597967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.597967 (E_RNA) where: Base-Base interactions energy: -823.542 where: short stacking energy: -347.584 Base-Backbone interact. energy: -1.104 local terms energy: -375.951557 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -77.901 flat angles C4'-P-C4' energy: -75.619 flat angles P-C4'-P energy: -59.859 tors. eta vs tors. theta energy: -103.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1145.556751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.556751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.556751 (E_RNA) where: Base-Base interactions energy: -785.408 where: short stacking energy: -327.789 Base-Backbone interact. energy: 2.979 local terms energy: -363.128219 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -83.241 flat angles P-C4'-P energy: -55.226 tors. eta vs tors. theta energy: -95.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1093.464539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.464539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.464539 (E_RNA) where: Base-Base interactions energy: -742.542 where: short stacking energy: -278.952 Base-Backbone interact. energy: -3.435 local terms energy: -347.487236 where: bonds (distance) C4'-P energy: -66.205 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -72.218 flat angles P-C4'-P energy: -48.893 tors. eta vs tors. theta energy: -76.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1008.944649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.944649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.944649 (E_RNA) where: Base-Base interactions energy: -700.835 where: short stacking energy: -301.942 Base-Backbone interact. energy: -0.995 local terms energy: -307.114621 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -64.430 flat angles P-C4'-P energy: -37.649 tors. eta vs tors. theta energy: -79.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -918.574332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.574332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.574332 (E_RNA) where: Base-Base interactions energy: -619.121 where: short stacking energy: -271.072 Base-Backbone interact. energy: -0.914 local terms energy: -298.540080 where: bonds (distance) C4'-P energy: -50.883 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -79.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -824.946622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.946622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.946622 (E_RNA) where: Base-Base interactions energy: -531.947 where: short stacking energy: -220.045 Base-Backbone interact. energy: 1.942 local terms energy: -294.941787 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -68.923 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -44.891 tors. eta vs tors. theta energy: -54.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -597.624151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.624151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.624151 (E_RNA) where: Base-Base interactions energy: -322.626 where: short stacking energy: -143.749 Base-Backbone interact. energy: -2.586 local terms energy: -272.411776 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -73.715 flat angles C4'-P-C4' energy: -69.312 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -25.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -517.214505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.214505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.214505 (E_RNA) where: Base-Base interactions energy: -267.115 where: short stacking energy: -139.764 Base-Backbone interact. energy: -0.401 local terms energy: -249.698972 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -56.484 flat angles C4'-P-C4' energy: -56.167 flat angles P-C4'-P energy: -45.013 tors. eta vs tors. theta energy: -27.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -287.187093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.187093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.187093 (E_RNA) where: Base-Base interactions energy: -104.300 where: short stacking energy: -86.257 Base-Backbone interact. energy: 0.244 local terms energy: -183.130943 where: bonds (distance) C4'-P energy: -58.121 bonds (distance) P-C4' energy: -56.686 flat angles C4'-P-C4' energy: -44.334 flat angles P-C4'-P energy: -30.062 tors. eta vs tors. theta energy: 6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1228.253696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.253696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.253696 (E_RNA) where: Base-Base interactions energy: -832.976 where: short stacking energy: -359.839 Base-Backbone interact. energy: -1.797 local terms energy: -393.480562 where: bonds (distance) C4'-P energy: -67.865 bonds (distance) P-C4' energy: -74.071 flat angles C4'-P-C4' energy: -80.711 flat angles P-C4'-P energy: -56.744 tors. eta vs tors. theta energy: -114.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1192.484899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.484899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.484899 (E_RNA) where: Base-Base interactions energy: -827.897 where: short stacking energy: -353.853 Base-Backbone interact. energy: -1.734 local terms energy: -362.853300 where: bonds (distance) C4'-P energy: -56.973 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -80.391 flat angles P-C4'-P energy: -54.350 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1127.690057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.690057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.690057 (E_RNA) where: Base-Base interactions energy: -770.924 where: short stacking energy: -337.806 Base-Backbone interact. energy: -4.295 local terms energy: -352.471263 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -98.572 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: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1150.213495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.213495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.213495 (E_RNA) where: Base-Base interactions energy: -812.512 where: short stacking energy: -337.933 Base-Backbone interact. energy: -2.224 local terms energy: -335.477048 where: bonds (distance) C4'-P energy: -66.722 bonds (distance) P-C4' energy: -65.470 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -86.848 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: 392 Temperature: 1.100000 Total energy: -1010.336323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.336323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.336323 (E_RNA) where: Base-Base interactions energy: -669.015 where: short stacking energy: -290.720 Base-Backbone interact. energy: -1.148 local terms energy: -340.173972 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -67.822 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -81.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -926.560677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.560677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.560677 (E_RNA) where: Base-Base interactions energy: -631.501 where: short stacking energy: -259.753 Base-Backbone interact. energy: 2.275 local terms energy: -297.334686 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -64.812 flat angles C4'-P-C4' energy: -62.462 flat angles P-C4'-P energy: -36.421 tors. eta vs tors. theta energy: -74.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -811.308456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.308456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.308456 (E_RNA) where: Base-Base interactions energy: -545.917 where: short stacking energy: -217.073 Base-Backbone interact. energy: 0.378 local terms energy: -265.769407 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -29.475 tors. eta vs tors. theta energy: -46.635 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: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -570.576800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.576800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.576800 (E_RNA) where: Base-Base interactions energy: -332.812 where: short stacking energy: -141.060 Base-Backbone interact. energy: -2.148 local terms energy: -235.617296 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -65.400 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -12.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -505.213618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.213618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.213618 (E_RNA) where: Base-Base interactions energy: -266.777 where: short stacking energy: -153.777 Base-Backbone interact. energy: 0.148 local terms energy: -238.584882 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -60.169 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -308.973225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.973225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.973225 (E_RNA) where: Base-Base interactions energy: -117.259 where: short stacking energy: -89.101 Base-Backbone interact. energy: 5.139 local terms energy: -196.853735 where: bonds (distance) C4'-P energy: -57.674 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -57.034 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: 16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1253.611716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.611716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.611716 (E_RNA) where: Base-Base interactions energy: -859.394 where: short stacking energy: -366.587 Base-Backbone interact. energy: 0.254 local terms energy: -394.471448 where: bonds (distance) C4'-P energy: -76.301 bonds (distance) P-C4' energy: -78.063 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -47.654 tors. eta vs tors. theta energy: -114.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1198.753636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.753636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.753636 (E_RNA) where: Base-Base interactions energy: -823.488 where: short stacking energy: -340.920 Base-Backbone interact. energy: 0.698 local terms energy: -375.963091 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -87.164 flat angles P-C4'-P energy: -60.328 tors. eta vs tors. theta energy: -97.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1129.108449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.108449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.108449 (E_RNA) where: Base-Base interactions energy: -780.108 where: short stacking energy: -327.126 Base-Backbone interact. energy: -2.095 local terms energy: -346.905748 where: bonds (distance) C4'-P energy: -67.631 bonds (distance) P-C4' energy: -62.098 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -88.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1120.447184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.447184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.447184 (E_RNA) where: Base-Base interactions energy: -804.138 where: short stacking energy: -298.882 Base-Backbone interact. energy: -0.347 local terms energy: -315.961761 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -64.737 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -40.653 tors. eta vs tors. theta energy: -79.707 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: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -970.855735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.855735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.855735 (E_RNA) where: Base-Base interactions energy: -653.072 where: short stacking energy: -277.231 Base-Backbone interact. energy: -0.394 local terms energy: -317.389848 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -77.091 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -74.826 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: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -949.267651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.267651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.267651 (E_RNA) where: Base-Base interactions energy: -624.966 where: short stacking energy: -278.606 Base-Backbone interact. energy: 0.871 local terms energy: -325.172665 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -50.311 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -49.900 tors. eta vs tors. theta energy: -80.872 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: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -770.395593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.395593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.395593 (E_RNA) where: Base-Base interactions energy: -493.132 where: short stacking energy: -202.716 Base-Backbone interact. energy: -2.165 local terms energy: -275.099295 where: bonds (distance) C4'-P energy: -52.829 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -71.914 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -41.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -643.560018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.560018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.560018 (E_RNA) where: Base-Base interactions energy: -383.525 where: short stacking energy: -188.531 Base-Backbone interact. energy: 1.497 local terms energy: -261.531592 where: bonds (distance) C4'-P energy: -61.681 bonds (distance) P-C4' energy: -66.887 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -35.701 tors. eta vs tors. theta energy: -29.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -458.432959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.432959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.432959 (E_RNA) where: Base-Base interactions energy: -241.231 where: short stacking energy: -133.421 Base-Backbone interact. energy: -0.453 local terms energy: -216.749576 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -62.123 flat angles C4'-P-C4' energy: -55.753 flat angles P-C4'-P energy: -16.261 tors. eta vs tors. theta energy: -19.498 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: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -314.683124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.683124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.683124 (E_RNA) where: Base-Base interactions energy: -130.575 where: short stacking energy: -89.967 Base-Backbone interact. energy: -0.787 local terms energy: -183.321058 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -53.553 flat angles C4'-P-C4' energy: -46.091 flat angles P-C4'-P energy: -33.519 tors. eta vs tors. theta energy: 4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1274.685262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.685262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.685262 (E_RNA) where: Base-Base interactions energy: -872.841 where: short stacking energy: -378.201 Base-Backbone interact. energy: -0.857 local terms energy: -400.987671 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -82.271 flat angles C4'-P-C4' energy: -79.006 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -112.701 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: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1178.170666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.170666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.170666 (E_RNA) where: Base-Base interactions energy: -830.387 where: short stacking energy: -352.476 Base-Backbone interact. energy: 0.469 local terms energy: -348.253344 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -83.309 flat angles P-C4'-P energy: -36.201 tors. eta vs tors. theta energy: -93.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1113.225679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.225679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.225679 (E_RNA) where: Base-Base interactions energy: -749.801 where: short stacking energy: -328.457 Base-Backbone interact. energy: -1.241 local terms energy: -362.184115 where: bonds (distance) C4'-P energy: -73.356 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -93.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1105.043560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.043560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.043560 (E_RNA) where: Base-Base interactions energy: -754.176 where: short stacking energy: -291.497 Base-Backbone interact. energy: -2.246 local terms energy: -348.621171 where: bonds (distance) C4'-P energy: -67.612 bonds (distance) P-C4' energy: -71.556 flat angles C4'-P-C4' energy: -77.472 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -81.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1011.872892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.872892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.872892 (E_RNA) where: Base-Base interactions energy: -682.054 where: short stacking energy: -286.035 Base-Backbone interact. energy: 1.329 local terms energy: -331.147443 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -67.133 flat angles C4'-P-C4' energy: -69.329 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -75.813 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: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -973.885045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.885045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.885045 (E_RNA) where: Base-Base interactions energy: -649.283 where: short stacking energy: -304.148 Base-Backbone interact. energy: 0.138 local terms energy: -324.739932 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -83.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -825.249112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.249112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.249112 (E_RNA) where: Base-Base interactions energy: -533.566 where: short stacking energy: -225.250 Base-Backbone interact. energy: 3.608 local terms energy: -295.291201 where: bonds (distance) C4'-P energy: -57.221 bonds (distance) P-C4' energy: -62.734 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -51.044 tors. eta vs tors. theta energy: -58.822 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: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -613.268673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.268673 (E_RNA) where: Base-Base interactions energy: -354.606 where: short stacking energy: -152.881 Base-Backbone interact. energy: -0.625 local terms energy: -258.038144 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -56.889 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -25.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -484.236557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.236557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.236557 (E_RNA) where: Base-Base interactions energy: -236.061 where: short stacking energy: -130.512 Base-Backbone interact. energy: 2.326 local terms energy: -250.501569 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -62.245 flat angles C4'-P-C4' energy: -60.244 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -26.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -301.688249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.688249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.688249 (E_RNA) where: Base-Base interactions energy: -104.260 where: short stacking energy: -72.384 Base-Backbone interact. energy: -2.110 local terms energy: -195.317951 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -57.962 flat angles C4'-P-C4' energy: -51.516 flat angles P-C4'-P energy: -35.161 tors. eta vs tors. theta energy: 12.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1249.131494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.131494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.131494 (E_RNA) where: Base-Base interactions energy: -852.430 where: short stacking energy: -366.026 Base-Backbone interact. energy: -0.179 local terms energy: -396.522550 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -81.650 flat angles C4'-P-C4' energy: -79.198 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: -115.261 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: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1209.383599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.383599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.383599 (E_RNA) where: Base-Base interactions energy: -820.549 where: short stacking energy: -340.600 Base-Backbone interact. energy: 0.537 local terms energy: -389.371553 where: bonds (distance) C4'-P energy: -72.185 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -79.994 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -108.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1074.950280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.950280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.950280 (E_RNA) where: Base-Base interactions energy: -731.061 where: short stacking energy: -321.597 Base-Backbone interact. energy: 1.310 local terms energy: -345.199105 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -68.124 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -87.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1135.017700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.017700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.017700 (E_RNA) where: Base-Base interactions energy: -785.376 where: short stacking energy: -317.905 Base-Backbone interact. energy: -1.673 local terms energy: -347.968836 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -62.135 flat angles C4'-P-C4' energy: -81.616 flat angles P-C4'-P energy: -55.253 tors. eta vs tors. theta energy: -83.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1003.416460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.416460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.416460 (E_RNA) where: Base-Base interactions energy: -670.585 where: short stacking energy: -289.994 Base-Backbone interact. energy: -0.215 local terms energy: -332.616331 where: bonds (distance) C4'-P energy: -64.790 bonds (distance) P-C4' energy: -79.472 flat angles C4'-P-C4' energy: -69.093 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -72.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -978.589390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.589390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.589390 (E_RNA) where: Base-Base interactions energy: -650.912 where: short stacking energy: -287.923 Base-Backbone interact. energy: -0.872 local terms energy: -326.805122 where: bonds (distance) C4'-P energy: -66.271 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -41.034 tors. eta vs tors. theta energy: -87.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -831.510549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.510549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.510549 (E_RNA) where: Base-Base interactions energy: -539.295 where: short stacking energy: -241.872 Base-Backbone interact. energy: -1.205 local terms energy: -291.009661 where: bonds (distance) C4'-P energy: -62.083 bonds (distance) P-C4' energy: -64.348 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -56.479 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: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -586.998323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.998323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.998323 (E_RNA) where: Base-Base interactions energy: -344.541 where: short stacking energy: -182.930 Base-Backbone interact. energy: -1.759 local terms energy: -240.698307 where: bonds (distance) C4'-P energy: -50.741 bonds (distance) P-C4' energy: -66.761 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -34.461 tors. eta vs tors. theta energy: -28.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -484.386801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.386801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.386801 (E_RNA) where: Base-Base interactions energy: -250.553 where: short stacking energy: -144.461 Base-Backbone interact. energy: 0.729 local terms energy: -234.562466 where: bonds (distance) C4'-P energy: -63.359 bonds (distance) P-C4' energy: -70.224 flat angles C4'-P-C4' energy: -46.322 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -23.339 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: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -315.724738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.724738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.724738 (E_RNA) where: Base-Base interactions energy: -111.521 where: short stacking energy: -96.923 Base-Backbone interact. energy: 7.558 local terms energy: -211.760901 where: bonds (distance) C4'-P energy: -62.758 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -56.748 flat angles P-C4'-P energy: -29.989 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1235.411774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.411774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.411774 (E_RNA) where: Base-Base interactions energy: -856.881 where: short stacking energy: -365.507 Base-Backbone interact. energy: -0.259 local terms energy: -378.271125 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -111.764 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: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1215.808942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.808942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.808942 (E_RNA) where: Base-Base interactions energy: -844.763 where: short stacking energy: -354.607 Base-Backbone interact. energy: 0.382 local terms energy: -371.427736 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: -105.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1108.899257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.899257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.899257 (E_RNA) where: Base-Base interactions energy: -784.143 where: short stacking energy: -275.849 Base-Backbone interact. energy: -2.679 local terms energy: -322.077589 where: bonds (distance) C4'-P energy: -66.591 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -67.660 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -75.224 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: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1089.102937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.102937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.102937 (E_RNA) where: Base-Base interactions energy: -744.504 where: short stacking energy: -310.493 Base-Backbone interact. energy: -0.699 local terms energy: -343.899975 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -66.622 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -91.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1006.254053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.254053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.254053 (E_RNA) where: Base-Base interactions energy: -671.914 where: short stacking energy: -297.860 Base-Backbone interact. energy: -1.236 local terms energy: -333.103917 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -88.433 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: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -966.435856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.435856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.435856 (E_RNA) where: Base-Base interactions energy: -622.970 where: short stacking energy: -281.713 Base-Backbone interact. energy: 0.519 local terms energy: -343.984855 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -72.515 flat angles C4'-P-C4' energy: -67.261 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -87.775 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: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -780.818051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.818051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.818051 (E_RNA) where: Base-Base interactions energy: -502.078 where: short stacking energy: -231.282 Base-Backbone interact. energy: -1.781 local terms energy: -276.958654 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -54.345 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -64.163 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: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -586.527116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.527116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.527116 (E_RNA) where: Base-Base interactions energy: -329.706 where: short stacking energy: -167.840 Base-Backbone interact. energy: -1.335 local terms energy: -255.486158 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -61.739 flat angles C4'-P-C4' energy: -65.657 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: -28.171 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: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -458.668417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.668417 (E_RNA) where: Base-Base interactions energy: -215.760 where: short stacking energy: -112.465 Base-Backbone interact. energy: -0.692 local terms energy: -242.216483 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -60.308 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -10.849 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: 396 Temperature: 1.350000 Total energy: -290.333223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.333223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.333223 (E_RNA) where: Base-Base interactions energy: -121.756 where: short stacking energy: -97.532 Base-Backbone interact. energy: 0.908 local terms energy: -169.485251 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -41.342 flat angles P-C4'-P energy: -15.808 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: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1243.044223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.044223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.044223 (E_RNA) where: Base-Base interactions energy: -850.169 where: short stacking energy: -374.536 Base-Backbone interact. energy: -0.856 local terms energy: -392.019713 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -83.538 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: -113.287 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: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1225.973084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.973084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.973084 (E_RNA) where: Base-Base interactions energy: -830.293 where: short stacking energy: -346.889 Base-Backbone interact. energy: -3.333 local terms energy: -392.347969 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -81.747 flat angles P-C4'-P energy: -57.381 tors. eta vs tors. theta energy: -104.752 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: 5 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1145.131593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.131593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.131593 (E_RNA) where: Base-Base interactions energy: -799.255 where: short stacking energy: -310.079 Base-Backbone interact. energy: 1.856 local terms energy: -347.732845 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -77.273 flat angles P-C4'-P energy: -53.501 tors. eta vs tors. theta energy: -84.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1077.021112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.021112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.021112 (E_RNA) where: Base-Base interactions energy: -722.964 where: short stacking energy: -298.618 Base-Backbone interact. energy: 0.001 local terms energy: -354.058518 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -81.394 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -81.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1015.512977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.512977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.512977 (E_RNA) where: Base-Base interactions energy: -669.225 where: short stacking energy: -278.891 Base-Backbone interact. energy: -2.124 local terms energy: -344.164200 where: bonds (distance) C4'-P energy: -67.785 bonds (distance) P-C4' energy: -71.209 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -91.573 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: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -951.983386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.983386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.983386 (E_RNA) where: Base-Base interactions energy: -634.883 where: short stacking energy: -251.354 Base-Backbone interact. energy: -1.258 local terms energy: -315.841784 where: bonds (distance) C4'-P energy: -62.512 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -65.479 flat angles P-C4'-P energy: -51.824 tors. eta vs tors. theta energy: -67.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -735.926596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.926596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.926596 (E_RNA) where: Base-Base interactions energy: -457.752 where: short stacking energy: -189.833 Base-Backbone interact. energy: 0.479 local terms energy: -278.653582 where: bonds (distance) C4'-P energy: -54.801 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -74.355 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: -41.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -606.313919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.313919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.313919 (E_RNA) where: Base-Base interactions energy: -343.207 where: short stacking energy: -156.309 Base-Backbone interact. energy: 2.901 local terms energy: -266.008519 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -53.667 flat angles C4'-P-C4' energy: -66.522 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -32.673 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: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -480.258911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.258911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.258911 (E_RNA) where: Base-Base interactions energy: -241.352 where: short stacking energy: -134.279 Base-Backbone interact. energy: -2.222 local terms energy: -236.684913 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -54.021 flat angles P-C4'-P energy: -26.816 tors. eta vs tors. theta energy: -25.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -291.687398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.687398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.687398 (E_RNA) where: Base-Base interactions energy: -109.557 where: short stacking energy: -76.278 Base-Backbone interact. energy: -2.432 local terms energy: -179.698117 where: bonds (distance) C4'-P energy: -45.058 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -51.574 flat angles P-C4'-P energy: -30.293 tors. eta vs tors. theta energy: 7.970 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: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1232.951518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.951518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.951518 (E_RNA) where: Base-Base interactions energy: -829.430 where: short stacking energy: -351.957 Base-Backbone interact. energy: -2.691 local terms energy: -400.830527 where: bonds (distance) C4'-P energy: -78.103 bonds (distance) P-C4' energy: -79.969 flat angles C4'-P-C4' energy: -83.171 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -104.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1227.254796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.254796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.254796 (E_RNA) where: Base-Base interactions energy: -828.939 where: short stacking energy: -357.277 Base-Backbone interact. energy: 1.282 local terms energy: -399.598673 where: bonds (distance) C4'-P energy: -73.615 bonds (distance) P-C4' energy: -71.321 flat angles C4'-P-C4' energy: -82.342 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -114.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1147.018374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.018374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.018374 (E_RNA) where: Base-Base interactions energy: -798.985 where: short stacking energy: -313.345 Base-Backbone interact. energy: -0.113 local terms energy: -347.920053 where: bonds (distance) C4'-P energy: -60.757 bonds (distance) P-C4' energy: -71.480 flat angles C4'-P-C4' energy: -78.875 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -87.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1063.617829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.617829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.617829 (E_RNA) where: Base-Base interactions energy: -705.178 where: short stacking energy: -294.626 Base-Backbone interact. energy: -1.437 local terms energy: -357.002914 where: bonds (distance) C4'-P energy: -69.253 bonds (distance) P-C4' energy: -72.454 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -93.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1004.611159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.611159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.611159 (E_RNA) where: Base-Base interactions energy: -658.096 where: short stacking energy: -285.795 Base-Backbone interact. energy: -0.361 local terms energy: -346.153560 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -72.885 flat angles P-C4'-P energy: -58.809 tors. eta vs tors. theta energy: -85.858 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: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -935.526632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.526632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.526632 (E_RNA) where: Base-Base interactions energy: -638.267 where: short stacking energy: -276.905 Base-Backbone interact. energy: -1.690 local terms energy: -295.569766 where: bonds (distance) C4'-P energy: -48.000 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -69.955 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: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -735.507467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.507467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.507467 (E_RNA) where: Base-Base interactions energy: -479.717 where: short stacking energy: -212.696 Base-Backbone interact. energy: 2.202 local terms energy: -257.992894 where: bonds (distance) C4'-P energy: -50.520 bonds (distance) P-C4' energy: -64.448 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -33.741 tors. eta vs tors. theta energy: -50.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -563.631604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.631604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.631604 (E_RNA) where: Base-Base interactions energy: -321.021 where: short stacking energy: -157.915 Base-Backbone interact. energy: 0.344 local terms energy: -242.954342 where: bonds (distance) C4'-P energy: -67.321 bonds (distance) P-C4' energy: -53.767 flat angles C4'-P-C4' energy: -64.863 flat angles P-C4'-P energy: -22.216 tors. eta vs tors. theta energy: -34.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -465.390279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.390279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.390279 (E_RNA) where: Base-Base interactions energy: -265.503 where: short stacking energy: -141.249 Base-Backbone interact. energy: 2.429 local terms energy: -202.316277 where: bonds (distance) C4'-P energy: -70.827 bonds (distance) P-C4' energy: -47.353 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -23.389 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -332.331930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.331930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.331930 (E_RNA) where: Base-Base interactions energy: -131.201 where: short stacking energy: -87.787 Base-Backbone interact. energy: -2.568 local terms energy: -198.563338 where: bonds (distance) C4'-P energy: -52.002 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -42.865 flat angles P-C4'-P energy: -40.427 tors. eta vs tors. theta energy: -3.031 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: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1245.722659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.722659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.722659 (E_RNA) where: Base-Base interactions energy: -841.220 where: short stacking energy: -356.524 Base-Backbone interact. energy: -2.091 local terms energy: -402.411418 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -87.701 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -107.128 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: 4 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1225.195845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.195845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.195845 (E_RNA) where: Base-Base interactions energy: -844.106 where: short stacking energy: -353.591 Base-Backbone interact. energy: 3.373 local terms energy: -384.463352 where: bonds (distance) C4'-P energy: -70.051 bonds (distance) P-C4' energy: -75.967 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -48.636 tors. eta vs tors. theta energy: -115.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1130.180308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.180308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.180308 (E_RNA) where: Base-Base interactions energy: -787.486 where: short stacking energy: -294.752 Base-Backbone interact. energy: -0.897 local terms energy: -341.797728 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -47.730 tors. eta vs tors. theta energy: -80.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1054.572627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.572627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.572627 (E_RNA) where: Base-Base interactions energy: -723.432 where: short stacking energy: -322.350 Base-Backbone interact. energy: -1.187 local terms energy: -329.953805 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -97.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1017.365388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.365388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.365388 (E_RNA) where: Base-Base interactions energy: -679.706 where: short stacking energy: -302.722 Base-Backbone interact. energy: -0.619 local terms energy: -337.041174 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -71.324 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -94.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -913.021394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.021394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.021394 (E_RNA) where: Base-Base interactions energy: -610.867 where: short stacking energy: -247.941 Base-Backbone interact. energy: 2.241 local terms energy: -304.395008 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -48.704 tors. eta vs tors. theta energy: -66.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -754.015458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.015458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.015458 (E_RNA) where: Base-Base interactions energy: -497.560 where: short stacking energy: -242.883 Base-Backbone interact. energy: 1.247 local terms energy: -257.702319 where: bonds (distance) C4'-P energy: -57.151 bonds (distance) P-C4' energy: -53.242 flat angles C4'-P-C4' energy: -59.370 flat angles P-C4'-P energy: -38.428 tors. eta vs tors. theta energy: -49.511 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: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -525.149352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.149352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.149352 (E_RNA) where: Base-Base interactions energy: -287.721 where: short stacking energy: -151.158 Base-Backbone interact. energy: 1.184 local terms energy: -238.612032 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -62.077 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -24.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -465.558330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.558330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.558330 (E_RNA) where: Base-Base interactions energy: -258.470 where: short stacking energy: -139.992 Base-Backbone interact. energy: -2.325 local terms energy: -204.763987 where: bonds (distance) C4'-P energy: -33.504 bonds (distance) P-C4' energy: -53.828 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -25.543 tors. eta vs tors. theta energy: -19.550 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: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -277.567907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.567907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.567907 (E_RNA) where: Base-Base interactions energy: -93.157 where: short stacking energy: -91.982 Base-Backbone interact. energy: -0.644 local terms energy: -183.766490 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -59.161 flat angles C4'-P-C4' energy: -39.261 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: 15.156 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: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1244.396080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.396080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.396080 (E_RNA) where: Base-Base interactions energy: -839.108 where: short stacking energy: -364.544 Base-Backbone interact. energy: -0.659 local terms energy: -404.628504 where: bonds (distance) C4'-P energy: -79.041 bonds (distance) P-C4' energy: -75.547 flat angles C4'-P-C4' energy: -81.061 flat angles P-C4'-P energy: -56.876 tors. eta vs tors. theta energy: -112.103 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: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1227.462993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.462993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.462993 (E_RNA) where: Base-Base interactions energy: -852.101 where: short stacking energy: -363.272 Base-Backbone interact. energy: -2.601 local terms energy: -372.761022 where: bonds (distance) C4'-P energy: -74.258 bonds (distance) P-C4' energy: -62.873 flat angles C4'-P-C4' energy: -85.679 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -104.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1131.324561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.324561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.324561 (E_RNA) where: Base-Base interactions energy: -790.925 where: short stacking energy: -314.945 Base-Backbone interact. energy: -0.662 local terms energy: -339.737849 where: bonds (distance) C4'-P energy: -66.510 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -59.419 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -82.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1076.560455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.560455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.560455 (E_RNA) where: Base-Base interactions energy: -734.456 where: short stacking energy: -314.190 Base-Backbone interact. energy: -0.654 local terms energy: -341.450638 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -51.006 tors. eta vs tors. theta energy: -95.441 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: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -995.046798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.046798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.046798 (E_RNA) where: Base-Base interactions energy: -664.091 where: short stacking energy: -286.496 Base-Backbone interact. energy: -0.772 local terms energy: -330.184162 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -81.577 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -81.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -950.940001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.940001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.940001 (E_RNA) where: Base-Base interactions energy: -621.843 where: short stacking energy: -281.595 Base-Backbone interact. energy: 1.211 local terms energy: -330.307378 where: bonds (distance) C4'-P energy: -56.518 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -73.288 flat angles P-C4'-P energy: -43.102 tors. eta vs tors. theta energy: -80.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -759.630056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.630056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.630056 (E_RNA) where: Base-Base interactions energy: -458.331 where: short stacking energy: -190.347 Base-Backbone interact. energy: -2.031 local terms energy: -299.267971 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -75.905 flat angles C4'-P-C4' energy: -61.389 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -52.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -542.216057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.216057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.216057 (E_RNA) where: Base-Base interactions energy: -287.235 where: short stacking energy: -135.046 Base-Backbone interact. energy: -0.930 local terms energy: -254.050639 where: bonds (distance) C4'-P energy: -64.577 bonds (distance) P-C4' energy: -72.164 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -467.607483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.607483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.607483 (E_RNA) where: Base-Base interactions energy: -243.587 where: short stacking energy: -127.526 Base-Backbone interact. energy: -1.248 local terms energy: -222.772909 where: bonds (distance) C4'-P energy: -59.634 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -56.611 flat angles P-C4'-P energy: -34.536 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -308.566940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.566940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.566940 (E_RNA) where: Base-Base interactions energy: -113.447 where: short stacking energy: -96.734 Base-Backbone interact. energy: 0.244 local terms energy: -195.363283 where: bonds (distance) C4'-P energy: -49.876 bonds (distance) P-C4' energy: -47.447 flat angles C4'-P-C4' energy: -55.125 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1259.007598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.007598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.007598 (E_RNA) where: Base-Base interactions energy: -885.724 where: short stacking energy: -378.603 Base-Backbone interact. energy: -1.124 local terms energy: -372.159725 where: bonds (distance) C4'-P energy: -72.883 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -52.357 tors. eta vs tors. theta energy: -101.881 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: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1174.941650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.941650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.941650 (E_RNA) where: Base-Base interactions energy: -810.186 where: short stacking energy: -328.466 Base-Backbone interact. energy: -1.588 local terms energy: -363.167651 where: bonds (distance) C4'-P energy: -67.214 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -80.695 flat angles P-C4'-P energy: -56.617 tors. eta vs tors. theta energy: -92.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1194.429483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.429483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.429483 (E_RNA) where: Base-Base interactions energy: -815.579 where: short stacking energy: -355.946 Base-Backbone interact. energy: -0.424 local terms energy: -378.426037 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -86.425 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -111.284 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: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1075.824239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.824239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.824239 (E_RNA) where: Base-Base interactions energy: -735.824 where: short stacking energy: -318.336 Base-Backbone interact. energy: 2.072 local terms energy: -342.072252 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -74.762 flat angles C4'-P-C4' energy: -65.744 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -88.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1022.639813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.639813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.639813 (E_RNA) where: Base-Base interactions energy: -672.272 where: short stacking energy: -301.907 Base-Backbone interact. energy: -1.142 local terms energy: -349.225598 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -75.021 flat angles C4'-P-C4' energy: -79.757 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -83.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -953.371585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.371585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.371585 (E_RNA) where: Base-Base interactions energy: -626.872 where: short stacking energy: -280.548 Base-Backbone interact. energy: -0.628 local terms energy: -325.871479 where: bonds (distance) C4'-P energy: -61.562 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -78.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -754.605336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.605336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.605336 (E_RNA) where: Base-Base interactions energy: -449.400 where: short stacking energy: -207.103 Base-Backbone interact. energy: 0.299 local terms energy: -305.504572 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -70.104 flat angles C4'-P-C4' energy: -63.120 flat angles P-C4'-P energy: -53.311 tors. eta vs tors. theta energy: -54.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -575.518803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.518803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.518803 (E_RNA) where: Base-Base interactions energy: -323.514 where: short stacking energy: -145.052 Base-Backbone interact. energy: -3.673 local terms energy: -248.331996 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -55.710 flat angles P-C4'-P energy: -26.765 tors. eta vs tors. theta energy: -27.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -464.051302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.051302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.051302 (E_RNA) where: Base-Base interactions energy: -236.024 where: short stacking energy: -134.827 Base-Backbone interact. energy: -1.223 local terms energy: -226.803847 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -63.604 flat angles C4'-P-C4' energy: -54.930 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: -13.667 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: 401 Temperature: 1.350000 Total energy: -281.592219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.592219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.592219 (E_RNA) where: Base-Base interactions energy: -88.074 where: short stacking energy: -76.308 Base-Backbone interact. energy: 1.425 local terms energy: -194.943412 where: bonds (distance) C4'-P energy: -54.371 bonds (distance) P-C4' energy: -78.080 flat angles C4'-P-C4' energy: -57.467 flat angles P-C4'-P energy: -22.235 tors. eta vs tors. theta energy: 17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1241.126542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.126542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.126542 (E_RNA) where: Base-Base interactions energy: -845.943 where: short stacking energy: -381.425 Base-Backbone interact. energy: 1.248 local terms energy: -396.431350 where: bonds (distance) C4'-P energy: -80.385 bonds (distance) P-C4' energy: -73.490 flat angles C4'-P-C4' energy: -74.117 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -112.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1163.411030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.411030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.411030 (E_RNA) where: Base-Base interactions energy: -811.959 where: short stacking energy: -316.180 Base-Backbone interact. energy: -0.031 local terms energy: -351.421214 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -57.935 flat angles C4'-P-C4' energy: -89.686 flat angles P-C4'-P energy: -53.405 tors. eta vs tors. theta energy: -85.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1179.426352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.426352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.426352 (E_RNA) where: Base-Base interactions energy: -796.934 where: short stacking energy: -362.878 Base-Backbone interact. energy: -3.034 local terms energy: -379.457606 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -73.790 flat angles C4'-P-C4' energy: -74.765 flat angles P-C4'-P energy: -52.518 tors. eta vs tors. theta energy: -109.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1098.191152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.191152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.191152 (E_RNA) where: Base-Base interactions energy: -746.991 where: short stacking energy: -328.275 Base-Backbone interact. energy: 2.502 local terms energy: -353.702891 where: bonds (distance) C4'-P energy: -66.384 bonds (distance) P-C4' energy: -80.304 flat angles C4'-P-C4' energy: -77.205 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -84.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -977.683094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.683094 (E_RNA) where: Base-Base interactions energy: -656.682 where: short stacking energy: -296.239 Base-Backbone interact. energy: -2.175 local terms energy: -318.825374 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -75.111 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -75.714 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: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -940.252209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.252209 (E_RNA) where: Base-Base interactions energy: -620.812 where: short stacking energy: -269.907 Base-Backbone interact. energy: -0.906 local terms energy: -318.534427 where: bonds (distance) C4'-P energy: -49.032 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -81.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -782.331140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.331140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.331140 (E_RNA) where: Base-Base interactions energy: -480.566 where: short stacking energy: -218.253 Base-Backbone interact. energy: 2.186 local terms energy: -303.950814 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -76.858 flat angles C4'-P-C4' energy: -63.223 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -58.716 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: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -536.477557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.477557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.477557 (E_RNA) where: Base-Base interactions energy: -299.018 where: short stacking energy: -148.078 Base-Backbone interact. energy: 3.547 local terms energy: -241.005819 where: bonds (distance) C4'-P energy: -67.638 bonds (distance) P-C4' energy: -65.817 flat angles C4'-P-C4' energy: -66.782 flat angles P-C4'-P energy: -31.423 tors. eta vs tors. theta energy: -9.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -471.967402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.967402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.967402 (E_RNA) where: Base-Base interactions energy: -248.095 where: short stacking energy: -131.819 Base-Backbone interact. energy: -0.320 local terms energy: -223.552291 where: bonds (distance) C4'-P energy: -52.411 bonds (distance) P-C4' energy: -76.131 flat angles C4'-P-C4' energy: -47.446 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -267.760311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.760311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.760311 (E_RNA) where: Base-Base interactions energy: -73.904 where: short stacking energy: -64.814 Base-Backbone interact. energy: 2.693 local terms energy: -196.549228 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -51.102 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: 17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1246.113429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.113429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.113429 (E_RNA) where: Base-Base interactions energy: -856.127 where: short stacking energy: -361.142 Base-Backbone interact. energy: -2.919 local terms energy: -387.067760 where: bonds (distance) C4'-P energy: -69.634 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -73.059 flat angles P-C4'-P energy: -62.543 tors. eta vs tors. theta energy: -106.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1189.976206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.976206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.976206 (E_RNA) where: Base-Base interactions energy: -819.093 where: short stacking energy: -358.224 Base-Backbone interact. energy: 0.176 local terms energy: -371.059481 where: bonds (distance) C4'-P energy: -67.901 bonds (distance) P-C4' energy: -59.209 flat angles C4'-P-C4' energy: -79.891 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -112.331 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: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1135.751297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.751297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.751297 (E_RNA) where: Base-Base interactions energy: -793.776 where: short stacking energy: -300.534 Base-Backbone interact. energy: -1.223 local terms energy: -340.752381 where: bonds (distance) C4'-P energy: -67.986 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -74.930 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -86.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1089.097414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.097414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.097414 (E_RNA) where: Base-Base interactions energy: -743.773 where: short stacking energy: -296.956 Base-Backbone interact. energy: 0.389 local terms energy: -345.714060 where: bonds (distance) C4'-P energy: -72.475 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -50.395 tors. eta vs tors. theta energy: -90.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1013.583591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.583591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.583591 (E_RNA) where: Base-Base interactions energy: -679.475 where: short stacking energy: -300.048 Base-Backbone interact. energy: -1.121 local terms energy: -332.987458 where: bonds (distance) C4'-P energy: -55.734 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: -84.799 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: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -958.984160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.984160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.984160 (E_RNA) where: Base-Base interactions energy: -641.180 where: short stacking energy: -289.302 Base-Backbone interact. energy: -1.412 local terms energy: -316.392029 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -68.352 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -42.729 tors. eta vs tors. theta energy: -82.511 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: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -859.378974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.378974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.378974 (E_RNA) where: Base-Base interactions energy: -575.350 where: short stacking energy: -253.612 Base-Backbone interact. energy: -1.508 local terms energy: -282.520581 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -59.947 flat angles P-C4'-P energy: -37.706 tors. eta vs tors. theta energy: -64.026 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: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -519.565731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.565731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.565731 (E_RNA) where: Base-Base interactions energy: -264.226 where: short stacking energy: -139.197 Base-Backbone interact. energy: -0.944 local terms energy: -254.395757 where: bonds (distance) C4'-P energy: -60.886 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -64.169 flat angles P-C4'-P energy: -34.850 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -450.517070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.517070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.517070 (E_RNA) where: Base-Base interactions energy: -235.627 where: short stacking energy: -127.938 Base-Backbone interact. energy: 0.161 local terms energy: -215.050624 where: bonds (distance) C4'-P energy: -52.892 bonds (distance) P-C4' energy: -53.948 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -27.100 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -287.155088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.155088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.155088 (E_RNA) where: Base-Base interactions energy: -97.841 where: short stacking energy: -74.357 Base-Backbone interact. energy: -1.084 local terms energy: -188.231053 where: bonds (distance) C4'-P energy: -54.647 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -49.460 flat angles P-C4'-P energy: -21.542 tors. eta vs tors. theta energy: 3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1233.791778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.791778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.791778 (E_RNA) where: Base-Base interactions energy: -866.104 where: short stacking energy: -370.982 Base-Backbone interact. energy: -1.885 local terms energy: -365.803227 where: bonds (distance) C4'-P energy: -56.101 bonds (distance) P-C4' energy: -74.424 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -105.249 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: 404 Temperature: 0.950000 Total energy: -1211.533613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.533613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.533613 (E_RNA) where: Base-Base interactions energy: -819.702 where: short stacking energy: -366.910 Base-Backbone interact. energy: -1.493 local terms energy: -390.338742 where: bonds (distance) C4'-P energy: -67.917 bonds (distance) P-C4' energy: -75.530 flat angles C4'-P-C4' energy: -79.482 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -113.304 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: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1146.238150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.238150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.238150 (E_RNA) where: Base-Base interactions energy: -790.325 where: short stacking energy: -335.797 Base-Backbone interact. energy: -1.273 local terms energy: -354.640754 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -71.276 flat angles C4'-P-C4' energy: -67.609 flat angles P-C4'-P energy: -48.744 tors. eta vs tors. theta energy: -92.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1103.448954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.448954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.448954 (E_RNA) where: Base-Base interactions energy: -728.757 where: short stacking energy: -311.289 Base-Backbone interact. energy: -3.446 local terms energy: -371.246536 where: bonds (distance) C4'-P energy: -64.279 bonds (distance) P-C4' energy: -81.371 flat angles C4'-P-C4' energy: -72.492 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -93.619 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: 404 Temperature: 1.100000 Total energy: -1014.376632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.376632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.376632 (E_RNA) where: Base-Base interactions energy: -694.008 where: short stacking energy: -300.382 Base-Backbone interact. energy: 4.244 local terms energy: -324.612635 where: bonds (distance) C4'-P energy: -48.781 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -52.311 tors. eta vs tors. theta energy: -84.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -939.629863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.629863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.629863 (E_RNA) where: Base-Base interactions energy: -628.440 where: short stacking energy: -277.769 Base-Backbone interact. energy: 3.695 local terms energy: -314.884875 where: bonds (distance) C4'-P energy: -63.094 bonds (distance) P-C4' energy: -68.595 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -71.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -819.697739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.697739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.697739 (E_RNA) where: Base-Base interactions energy: -515.197 where: short stacking energy: -213.555 Base-Backbone interact. energy: -0.707 local terms energy: -303.793440 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -58.650 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -62.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -503.591598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.591598 (E_RNA) where: Base-Base interactions energy: -272.449 where: short stacking energy: -131.887 Base-Backbone interact. energy: 5.962 local terms energy: -237.104322 where: bonds (distance) C4'-P energy: -52.842 bonds (distance) P-C4' energy: -70.294 flat angles C4'-P-C4' energy: -49.954 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -19.421 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -455.995857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.995857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.995857 (E_RNA) where: Base-Base interactions energy: -216.027 where: short stacking energy: -107.488 Base-Backbone interact. energy: 0.173 local terms energy: -240.141161 where: bonds (distance) C4'-P energy: -56.967 bonds (distance) P-C4' energy: -62.497 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -38.487 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -295.366393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.366393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.366393 (E_RNA) where: Base-Base interactions energy: -105.628 where: short stacking energy: -79.037 Base-Backbone interact. energy: 2.071 local terms energy: -191.810304 where: bonds (distance) C4'-P energy: -66.294 bonds (distance) P-C4' energy: -67.695 flat angles C4'-P-C4' energy: -38.653 flat angles P-C4'-P energy: -29.143 tors. eta vs tors. theta energy: 9.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1233.110769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.110769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.110769 (E_RNA) where: Base-Base interactions energy: -845.448 where: short stacking energy: -351.902 Base-Backbone interact. energy: -1.516 local terms energy: -386.146728 where: bonds (distance) C4'-P energy: -66.382 bonds (distance) P-C4' energy: -77.469 flat angles C4'-P-C4' energy: -79.973 flat angles P-C4'-P energy: -53.087 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: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1207.729669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.729669 (E_RNA) where: Base-Base interactions energy: -819.808 where: short stacking energy: -365.610 Base-Backbone interact. energy: -1.591 local terms energy: -386.330894 where: bonds (distance) C4'-P energy: -69.569 bonds (distance) P-C4' energy: -77.886 flat angles C4'-P-C4' energy: -80.656 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -107.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1141.146891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.146891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.146891 (E_RNA) where: Base-Base interactions energy: -795.169 where: short stacking energy: -316.697 Base-Backbone interact. energy: -2.256 local terms energy: -343.721792 where: bonds (distance) C4'-P energy: -59.392 bonds (distance) P-C4' energy: -70.155 flat angles C4'-P-C4' energy: -79.069 flat angles P-C4'-P energy: -48.320 tors. eta vs tors. theta energy: -86.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1083.863291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.863291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.863291 (E_RNA) where: Base-Base interactions energy: -741.289 where: short stacking energy: -303.626 Base-Backbone interact. energy: -4.161 local terms energy: -338.413090 where: bonds (distance) C4'-P energy: -68.374 bonds (distance) P-C4' energy: -66.215 flat angles C4'-P-C4' energy: -71.030 flat angles P-C4'-P energy: -49.585 tors. eta vs tors. theta energy: -83.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1007.007422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.007422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.007422 (E_RNA) where: Base-Base interactions energy: -669.934 where: short stacking energy: -285.152 Base-Backbone interact. energy: -0.286 local terms energy: -336.787841 where: bonds (distance) C4'-P energy: -64.702 bonds (distance) P-C4' energy: -72.907 flat angles C4'-P-C4' energy: -70.661 flat angles P-C4'-P energy: -42.267 tors. eta vs tors. theta energy: -86.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -862.659499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.659499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.659499 (E_RNA) where: Base-Base interactions energy: -560.107 where: short stacking energy: -246.448 Base-Backbone interact. energy: -1.473 local terms energy: -301.079792 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -54.277 tors. eta vs tors. theta energy: -69.448 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: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -891.242237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.242237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.242237 (E_RNA) where: Base-Base interactions energy: -599.912 where: short stacking energy: -253.116 Base-Backbone interact. energy: -0.213 local terms energy: -291.117882 where: bonds (distance) C4'-P energy: -50.452 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -64.558 flat angles P-C4'-P energy: -42.675 tors. eta vs tors. theta energy: -73.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -531.833855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.833855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.833855 (E_RNA) where: Base-Base interactions energy: -298.617 where: short stacking energy: -150.006 Base-Backbone interact. energy: -0.943 local terms energy: -232.273893 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -74.810 flat angles C4'-P-C4' energy: -46.315 flat angles P-C4'-P energy: -26.752 tors. eta vs tors. theta energy: -30.047 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: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -477.778180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.778180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.778180 (E_RNA) where: Base-Base interactions energy: -228.805 where: short stacking energy: -124.277 Base-Backbone interact. energy: -1.133 local terms energy: -247.839544 where: bonds (distance) C4'-P energy: -60.994 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -64.291 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -16.787 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: 405 Temperature: 1.350000 Total energy: -277.433641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.433641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.433641 (E_RNA) where: Base-Base interactions energy: -80.933 where: short stacking energy: -74.356 Base-Backbone interact. energy: -0.762 local terms energy: -195.738473 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -63.787 flat angles C4'-P-C4' energy: -46.826 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: 7.820 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: 406 Temperature: 0.900000 Total energy: -1240.595452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.595452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.595452 (E_RNA) where: Base-Base interactions energy: -854.166 where: short stacking energy: -363.067 Base-Backbone interact. energy: -1.834 local terms energy: -384.595515 where: bonds (distance) C4'-P energy: -65.828 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -57.341 tors. eta vs tors. theta energy: -118.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1225.849110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.849110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.849110 (E_RNA) where: Base-Base interactions energy: -824.751 where: short stacking energy: -364.525 Base-Backbone interact. energy: 0.883 local terms energy: -401.981382 where: bonds (distance) C4'-P energy: -71.661 bonds (distance) P-C4' energy: -79.014 flat angles C4'-P-C4' energy: -80.594 flat angles P-C4'-P energy: -59.894 tors. eta vs tors. theta energy: -110.818 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: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1149.116921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.116921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.116921 (E_RNA) where: Base-Base interactions energy: -822.992 where: short stacking energy: -338.111 Base-Backbone interact. energy: 1.125 local terms energy: -327.249782 where: bonds (distance) C4'-P energy: -58.033 bonds (distance) P-C4' energy: -62.245 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -46.891 tors. eta vs tors. theta energy: -91.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1077.833285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.833285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.833285 (E_RNA) where: Base-Base interactions energy: -720.562 where: short stacking energy: -317.233 Base-Backbone interact. energy: -0.888 local terms energy: -356.383441 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -67.492 flat angles C4'-P-C4' energy: -74.598 flat angles P-C4'-P energy: -56.693 tors. eta vs tors. theta energy: -92.433 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: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -890.863628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.863628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.863628 (E_RNA) where: Base-Base interactions energy: -576.145 where: short stacking energy: -260.955 Base-Backbone interact. energy: -1.027 local terms energy: -313.691984 where: bonds (distance) C4'-P energy: -59.589 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -81.922 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -58.395 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: 6, replica: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -948.793016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.793016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.793016 (E_RNA) where: Base-Base interactions energy: -640.840 where: short stacking energy: -255.807 Base-Backbone interact. energy: 2.274 local terms energy: -310.227075 where: bonds (distance) C4'-P energy: -61.663 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -70.006 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: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -906.237990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.237990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.237990 (E_RNA) where: Base-Base interactions energy: -606.773 where: short stacking energy: -250.497 Base-Backbone interact. energy: -1.706 local terms energy: -297.759174 where: bonds (distance) C4'-P energy: -55.068 bonds (distance) P-C4' energy: -66.929 flat angles C4'-P-C4' energy: -60.892 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -75.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -531.294742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.294742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.294742 (E_RNA) where: Base-Base interactions energy: -265.487 where: short stacking energy: -145.409 Base-Backbone interact. energy: -1.097 local terms energy: -264.711177 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -57.801 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -30.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -469.006467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.006467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.006467 (E_RNA) where: Base-Base interactions energy: -225.910 where: short stacking energy: -124.124 Base-Backbone interact. energy: -2.216 local terms energy: -240.880612 where: bonds (distance) C4'-P energy: -60.879 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -57.151 flat angles P-C4'-P energy: -32.570 tors. eta vs tors. theta energy: -27.144 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: 406 Temperature: 1.350000 Total energy: -284.094611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.094611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.094611 (E_RNA) where: Base-Base interactions energy: -95.472 where: short stacking energy: -85.678 Base-Backbone interact. energy: -1.424 local terms energy: -187.198169 where: bonds (distance) C4'-P energy: -41.602 bonds (distance) P-C4' energy: -70.925 flat angles C4'-P-C4' energy: -39.668 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1253.719693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.719693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.719693 (E_RNA) where: Base-Base interactions energy: -850.530 where: short stacking energy: -364.988 Base-Backbone interact. energy: -1.408 local terms energy: -401.781841 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -89.341 flat angles P-C4'-P energy: -54.649 tors. eta vs tors. theta energy: -114.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1208.676251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.676251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.676251 (E_RNA) where: Base-Base interactions energy: -830.103 where: short stacking energy: -349.888 Base-Backbone interact. energy: -2.892 local terms energy: -375.681220 where: bonds (distance) C4'-P energy: -65.125 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -82.013 flat angles P-C4'-P energy: -58.574 tors. eta vs tors. theta energy: -106.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1151.332022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.332022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.332022 (E_RNA) where: Base-Base interactions energy: -813.547 where: short stacking energy: -316.012 Base-Backbone interact. energy: -0.925 local terms energy: -336.860077 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -68.605 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -87.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1053.593684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.593684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.593684 (E_RNA) where: Base-Base interactions energy: -716.031 where: short stacking energy: -318.416 Base-Backbone interact. energy: 1.274 local terms energy: -338.836753 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -47.422 tors. eta vs tors. theta energy: -95.428 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -889.612270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.612270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.612270 (E_RNA) where: Base-Base interactions energy: -571.516 where: short stacking energy: -260.000 Base-Backbone interact. energy: 0.020 local terms energy: -318.115836 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -69.936 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -68.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -931.690312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.690312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.690312 (E_RNA) where: Base-Base interactions energy: -599.335 where: short stacking energy: -253.791 Base-Backbone interact. energy: -2.116 local terms energy: -330.239646 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -73.676 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: -73.522 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: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -886.582700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.582700 (E_RNA) where: Base-Base interactions energy: -583.982 where: short stacking energy: -244.279 Base-Backbone interact. energy: 1.902 local terms energy: -304.502948 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -72.159 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -57.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -499.295733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.295733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.295733 (E_RNA) where: Base-Base interactions energy: -260.598 where: short stacking energy: -135.747 Base-Backbone interact. energy: -0.437 local terms energy: -238.260544 where: bonds (distance) C4'-P energy: -51.263 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -55.187 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -21.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -468.268131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.268131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.268131 (E_RNA) where: Base-Base interactions energy: -252.778 where: short stacking energy: -141.195 Base-Backbone interact. energy: 5.069 local terms energy: -220.559640 where: bonds (distance) C4'-P energy: -60.033 bonds (distance) P-C4' energy: -62.102 flat angles C4'-P-C4' energy: -59.249 flat angles P-C4'-P energy: -25.863 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -290.381541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.381541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.381541 (E_RNA) where: Base-Base interactions energy: -105.226 where: short stacking energy: -74.145 Base-Backbone interact. energy: -0.271 local terms energy: -184.884225 where: bonds (distance) C4'-P energy: -55.177 bonds (distance) P-C4' energy: -62.763 flat angles C4'-P-C4' energy: -60.373 flat angles P-C4'-P energy: -26.229 tors. eta vs tors. theta energy: 19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1248.328250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.328250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.328250 (E_RNA) where: Base-Base interactions energy: -846.470 where: short stacking energy: -379.253 Base-Backbone interact. energy: -0.364 local terms energy: -401.494307 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -77.758 flat angles C4'-P-C4' energy: -78.553 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -120.951 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: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1215.628648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.628648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.628648 (E_RNA) where: Base-Base interactions energy: -822.055 where: short stacking energy: -362.684 Base-Backbone interact. energy: -0.257 local terms energy: -393.316569 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -75.789 flat angles C4'-P-C4' energy: -74.881 flat angles P-C4'-P energy: -63.721 tors. eta vs tors. theta energy: -110.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1144.782905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.782905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.782905 (E_RNA) where: Base-Base interactions energy: -806.618 where: short stacking energy: -314.687 Base-Backbone interact. energy: -1.339 local terms energy: -336.826639 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -81.988 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: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1012.875512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.875512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.875512 (E_RNA) where: Base-Base interactions energy: -685.448 where: short stacking energy: -274.079 Base-Backbone interact. energy: -0.116 local terms energy: -327.312108 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -71.231 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -73.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1006.831632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.831632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.831632 (E_RNA) where: Base-Base interactions energy: -678.919 where: short stacking energy: -296.413 Base-Backbone interact. energy: -1.777 local terms energy: -326.135395 where: bonds (distance) C4'-P energy: -59.545 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -73.207 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -81.180 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -890.658771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.658771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.658771 (E_RNA) where: Base-Base interactions energy: -569.260 where: short stacking energy: -254.595 Base-Backbone interact. energy: -2.669 local terms energy: -318.729469 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -66.501 flat angles C4'-P-C4' energy: -67.721 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -67.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -864.618575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.618575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.618575 (E_RNA) where: Base-Base interactions energy: -569.726 where: short stacking energy: -234.668 Base-Backbone interact. energy: -1.320 local terms energy: -293.572761 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -70.532 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -59.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -505.627107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.627107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.627107 (E_RNA) where: Base-Base interactions energy: -276.628 where: short stacking energy: -156.573 Base-Backbone interact. energy: -1.198 local terms energy: -227.800970 where: bonds (distance) C4'-P energy: -59.127 bonds (distance) P-C4' energy: -61.123 flat angles C4'-P-C4' energy: -57.842 flat angles P-C4'-P energy: -45.126 tors. eta vs tors. theta energy: -4.583 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: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -486.916980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.916980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.916980 (E_RNA) where: Base-Base interactions energy: -259.910 where: short stacking energy: -116.347 Base-Backbone interact. energy: -1.429 local terms energy: -225.577306 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -50.982 flat angles P-C4'-P energy: -37.458 tors. eta vs tors. theta energy: -11.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -275.130719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.130719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.130719 (E_RNA) where: Base-Base interactions energy: -98.999 where: short stacking energy: -84.537 Base-Backbone interact. energy: 2.399 local terms energy: -178.531441 where: bonds (distance) C4'-P energy: -47.041 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -54.611 flat angles P-C4'-P energy: -35.624 tors. eta vs tors. theta energy: 22.902 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: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1245.626909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.626909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.626909 (E_RNA) where: Base-Base interactions energy: -849.588 where: short stacking energy: -386.223 Base-Backbone interact. energy: -2.470 local terms energy: -393.568994 where: bonds (distance) C4'-P energy: -73.982 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -83.566 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: -118.769 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: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1212.369369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.369369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.369369 (E_RNA) where: Base-Base interactions energy: -850.835 where: short stacking energy: -363.682 Base-Backbone interact. energy: -1.817 local terms energy: -359.717484 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -65.842 flat angles C4'-P-C4' energy: -79.696 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -107.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1166.085499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.085499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.085499 (E_RNA) where: Base-Base interactions energy: -817.546 where: short stacking energy: -311.824 Base-Backbone interact. energy: -0.058 local terms energy: -348.481634 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -71.634 flat angles C4'-P-C4' energy: -74.146 flat angles P-C4'-P energy: -45.788 tors. eta vs tors. theta energy: -93.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1012.096716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.096716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.096716 (E_RNA) where: Base-Base interactions energy: -671.072 where: short stacking energy: -288.490 Base-Backbone interact. energy: -1.116 local terms energy: -339.908585 where: bonds (distance) C4'-P energy: -66.062 bonds (distance) P-C4' energy: -60.586 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -57.681 tors. eta vs tors. theta energy: -84.731 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: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1037.278756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.278756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.278756 (E_RNA) where: Base-Base interactions energy: -708.325 where: short stacking energy: -311.863 Base-Backbone interact. energy: -0.856 local terms energy: -328.097454 where: bonds (distance) C4'-P energy: -56.718 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -69.385 flat angles P-C4'-P energy: -48.131 tors. eta vs tors. theta energy: -92.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -916.498674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.498674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.498674 (E_RNA) where: Base-Base interactions energy: -593.374 where: short stacking energy: -262.190 Base-Backbone interact. energy: -2.579 local terms energy: -320.545807 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -72.079 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -72.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -811.102788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.102788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.102788 (E_RNA) where: Base-Base interactions energy: -518.066 where: short stacking energy: -221.415 Base-Backbone interact. energy: 0.065 local terms energy: -293.101954 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -38.201 tors. eta vs tors. theta energy: -65.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -501.728873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.728873 (E_RNA) where: Base-Base interactions energy: -264.930 where: short stacking energy: -141.433 Base-Backbone interact. energy: -2.922 local terms energy: -233.876815 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -62.369 flat angles C4'-P-C4' energy: -61.848 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -20.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -492.466454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.466454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.466454 (E_RNA) where: Base-Base interactions energy: -289.974 where: short stacking energy: -162.791 Base-Backbone interact. energy: -0.397 local terms energy: -202.095446 where: bonds (distance) C4'-P energy: -57.302 bonds (distance) P-C4' energy: -53.907 flat angles C4'-P-C4' energy: -40.799 flat angles P-C4'-P energy: -32.418 tors. eta vs tors. theta energy: -17.670 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: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -273.714801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.714801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.714801 (E_RNA) where: Base-Base interactions energy: -86.394 where: short stacking energy: -65.783 Base-Backbone interact. energy: 4.325 local terms energy: -191.645991 where: bonds (distance) C4'-P energy: -55.146 bonds (distance) P-C4' energy: -76.308 flat angles C4'-P-C4' energy: -47.629 flat angles P-C4'-P energy: -30.518 tors. eta vs tors. theta energy: 17.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1255.594824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.594824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.594824 (E_RNA) where: Base-Base interactions energy: -867.574 where: short stacking energy: -343.439 Base-Backbone interact. energy: -0.157 local terms energy: -387.863945 where: bonds (distance) C4'-P energy: -69.757 bonds (distance) P-C4' energy: -70.452 flat angles C4'-P-C4' energy: -89.729 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: -108.697 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: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1198.794865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.794865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.794865 (E_RNA) where: Base-Base interactions energy: -809.457 where: short stacking energy: -342.139 Base-Backbone interact. energy: -0.212 local terms energy: -389.125394 where: bonds (distance) C4'-P energy: -81.686 bonds (distance) P-C4' energy: -72.819 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -53.729 tors. eta vs tors. theta energy: -105.834 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: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1157.168766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.168766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.168766 (E_RNA) where: Base-Base interactions energy: -814.568 where: short stacking energy: -324.488 Base-Backbone interact. energy: 0.491 local terms energy: -343.091736 where: bonds (distance) C4'-P energy: -69.338 bonds (distance) P-C4' energy: -62.924 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -89.295 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: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -985.323299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.323299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.323299 (E_RNA) where: Base-Base interactions energy: -649.405 where: short stacking energy: -281.096 Base-Backbone interact. energy: -2.217 local terms energy: -333.701591 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -64.553 flat angles C4'-P-C4' energy: -82.586 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -77.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1019.966912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.966912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.966912 (E_RNA) where: Base-Base interactions energy: -678.700 where: short stacking energy: -280.491 Base-Backbone interact. energy: -3.234 local terms energy: -338.033302 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -86.988 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: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -895.428454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.428454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.428454 (E_RNA) where: Base-Base interactions energy: -596.536 where: short stacking energy: -251.957 Base-Backbone interact. energy: 0.781 local terms energy: -299.673606 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -41.869 tors. eta vs tors. theta energy: -67.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -799.485235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.485235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.485235 (E_RNA) where: Base-Base interactions energy: -502.500 where: short stacking energy: -241.581 Base-Backbone interact. energy: -0.010 local terms energy: -296.975339 where: bonds (distance) C4'-P energy: -57.963 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -54.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -472.489256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.489256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.489256 (E_RNA) where: Base-Base interactions energy: -246.814 where: short stacking energy: -127.520 Base-Backbone interact. energy: -1.761 local terms energy: -223.914097 where: bonds (distance) C4'-P energy: -59.687 bonds (distance) P-C4' energy: -61.489 flat angles C4'-P-C4' energy: -53.544 flat angles P-C4'-P energy: -24.857 tors. eta vs tors. theta energy: -24.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -465.233382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.233382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.233382 (E_RNA) where: Base-Base interactions energy: -227.076 where: short stacking energy: -122.154 Base-Backbone interact. energy: -1.961 local terms energy: -236.196672 where: bonds (distance) C4'-P energy: -69.303 bonds (distance) P-C4' energy: -77.015 flat angles C4'-P-C4' energy: -45.426 flat angles P-C4'-P energy: -32.995 tors. eta vs tors. theta energy: -11.458 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: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -289.305980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.305980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.305980 (E_RNA) where: Base-Base interactions energy: -103.484 where: short stacking energy: -86.952 Base-Backbone interact. energy: -0.446 local terms energy: -185.376824 where: bonds (distance) C4'-P energy: -54.457 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -55.986 flat angles P-C4'-P energy: -29.524 tors. eta vs tors. theta energy: 15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1233.292024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.292024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.292024 (E_RNA) where: Base-Base interactions energy: -839.067 where: short stacking energy: -362.991 Base-Backbone interact. energy: -2.454 local terms energy: -391.771325 where: bonds (distance) C4'-P energy: -69.891 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -84.040 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -109.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1194.746793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.746793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.746793 (E_RNA) where: Base-Base interactions energy: -801.502 where: short stacking energy: -336.680 Base-Backbone interact. energy: -2.177 local terms energy: -391.067806 where: bonds (distance) C4'-P energy: -73.901 bonds (distance) P-C4' energy: -82.294 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -104.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1162.030340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.030340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.030340 (E_RNA) where: Base-Base interactions energy: -808.099 where: short stacking energy: -299.509 Base-Backbone interact. energy: 0.135 local terms energy: -354.066080 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -82.544 flat angles C4'-P-C4' energy: -75.291 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: -86.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1085.509408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.509408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.509408 (E_RNA) where: Base-Base interactions energy: -753.542 where: short stacking energy: -323.396 Base-Backbone interact. energy: 0.105 local terms energy: -332.071982 where: bonds (distance) C4'-P energy: -47.342 bonds (distance) P-C4' energy: -67.217 flat angles C4'-P-C4' energy: -77.328 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -99.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -987.386590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.386590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.386590 (E_RNA) where: Base-Base interactions energy: -652.128 where: short stacking energy: -277.470 Base-Backbone interact. energy: 5.742 local terms energy: -341.000569 where: bonds (distance) C4'-P energy: -65.576 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -74.075 flat angles P-C4'-P energy: -46.316 tors. eta vs tors. theta energy: -77.607 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: 6, replica: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -938.224500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.224500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.224500 (E_RNA) where: Base-Base interactions energy: -627.193 where: short stacking energy: -303.915 Base-Backbone interact. energy: -0.289 local terms energy: -310.742726 where: bonds (distance) C4'-P energy: -43.253 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: -81.671 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: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -778.010206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.010206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.010206 (E_RNA) where: Base-Base interactions energy: -516.436 where: short stacking energy: -219.954 Base-Backbone interact. energy: -0.957 local terms energy: -260.617076 where: bonds (distance) C4'-P energy: -41.611 bonds (distance) P-C4' energy: -55.947 flat angles C4'-P-C4' energy: -63.574 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -55.555 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: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -494.079537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.079537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.079537 (E_RNA) where: Base-Base interactions energy: -254.122 where: short stacking energy: -135.423 Base-Backbone interact. energy: 1.043 local terms energy: -241.000940 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -73.363 flat angles C4'-P-C4' energy: -48.244 flat angles P-C4'-P energy: -33.168 tors. eta vs tors. theta energy: -23.818 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: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -477.585312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.585312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.585312 (E_RNA) where: Base-Base interactions energy: -239.171 where: short stacking energy: -122.084 Base-Backbone interact. energy: -0.911 local terms energy: -237.503846 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -64.050 flat angles C4'-P-C4' energy: -59.456 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -299.187096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.187096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.187096 (E_RNA) where: Base-Base interactions energy: -105.405 where: short stacking energy: -83.214 Base-Backbone interact. energy: -1.042 local terms energy: -192.740056 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -50.295 flat angles P-C4'-P energy: -25.417 tors. eta vs tors. theta energy: 13.076 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: 412 Temperature: 0.900000 Total energy: -1248.498490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.498490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.498490 (E_RNA) where: Base-Base interactions energy: -849.173 where: short stacking energy: -361.593 Base-Backbone interact. energy: 2.285 local terms energy: -401.610621 where: bonds (distance) C4'-P energy: -78.066 bonds (distance) P-C4' energy: -77.962 flat angles C4'-P-C4' energy: -80.669 flat angles P-C4'-P energy: -53.567 tors. eta vs tors. theta energy: -111.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1198.241431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.241431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.241431 (E_RNA) where: Base-Base interactions energy: -829.628 where: short stacking energy: -334.546 Base-Backbone interact. energy: -1.063 local terms energy: -367.550388 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -73.009 flat angles C4'-P-C4' energy: -88.153 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -95.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1189.974914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.974914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.974914 (E_RNA) where: Base-Base interactions energy: -833.734 where: short stacking energy: -323.955 Base-Backbone interact. energy: -1.322 local terms energy: -354.918045 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -73.505 flat angles C4'-P-C4' energy: -74.773 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -99.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1093.154268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.154268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.154268 (E_RNA) where: Base-Base interactions energy: -751.312 where: short stacking energy: -314.581 Base-Backbone interact. energy: 4.263 local terms energy: -346.104338 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -60.744 flat angles C4'-P-C4' energy: -72.938 flat angles P-C4'-P energy: -52.898 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: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -941.956894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.956894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.956894 (E_RNA) where: Base-Base interactions energy: -611.771 where: short stacking energy: -281.620 Base-Backbone interact. energy: -4.521 local terms energy: -325.664459 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -72.546 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -73.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -896.989002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.989002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.989002 (E_RNA) where: Base-Base interactions energy: -592.250 where: short stacking energy: -258.015 Base-Backbone interact. energy: 0.681 local terms energy: -305.420045 where: bonds (distance) C4'-P energy: -60.493 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -64.705 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -72.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -823.793793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.793793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.793793 (E_RNA) where: Base-Base interactions energy: -552.562 where: short stacking energy: -211.907 Base-Backbone interact. energy: 4.690 local terms energy: -275.921636 where: bonds (distance) C4'-P energy: -67.574 bonds (distance) P-C4' energy: -61.897 flat angles C4'-P-C4' energy: -61.463 flat angles P-C4'-P energy: -29.417 tors. eta vs tors. theta energy: -55.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -514.502563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.502563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.502563 (E_RNA) where: Base-Base interactions energy: -257.631 where: short stacking energy: -141.255 Base-Backbone interact. energy: -1.447 local terms energy: -255.424426 where: bonds (distance) C4'-P energy: -56.600 bonds (distance) P-C4' energy: -69.065 flat angles C4'-P-C4' energy: -67.993 flat angles P-C4'-P energy: -31.414 tors. eta vs tors. theta energy: -30.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -489.772981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.772981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.772981 (E_RNA) where: Base-Base interactions energy: -270.604 where: short stacking energy: -133.280 Base-Backbone interact. energy: 4.949 local terms energy: -224.117481 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -67.257 flat angles C4'-P-C4' energy: -47.660 flat angles P-C4'-P energy: -32.851 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -294.491044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.491044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.491044 (E_RNA) where: Base-Base interactions energy: -110.904 where: short stacking energy: -85.587 Base-Backbone interact. energy: -1.459 local terms energy: -182.128118 where: bonds (distance) C4'-P energy: -49.236 bonds (distance) P-C4' energy: -65.049 flat angles C4'-P-C4' energy: -49.286 flat angles P-C4'-P energy: -24.324 tors. eta vs tors. theta energy: 5.767 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: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1251.164579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.164579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.164579 (E_RNA) where: Base-Base interactions energy: -848.069 where: short stacking energy: -372.798 Base-Backbone interact. energy: -1.782 local terms energy: -401.313778 where: bonds (distance) C4'-P energy: -73.730 bonds (distance) P-C4' energy: -74.926 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -117.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1201.801741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.801741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.801741 (E_RNA) where: Base-Base interactions energy: -848.606 where: short stacking energy: -330.139 Base-Backbone interact. energy: -1.644 local terms energy: -351.551438 where: bonds (distance) C4'-P energy: -74.237 bonds (distance) P-C4' energy: -65.071 flat angles C4'-P-C4' energy: -76.901 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -94.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1166.627513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.627513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.627513 (E_RNA) where: Base-Base interactions energy: -802.163 where: short stacking energy: -333.121 Base-Backbone interact. energy: 0.732 local terms energy: -365.196681 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -79.955 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -101.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1076.472736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.472736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.472736 (E_RNA) where: Base-Base interactions energy: -725.111 where: short stacking energy: -307.789 Base-Backbone interact. energy: 4.006 local terms energy: -355.367364 where: bonds (distance) C4'-P energy: -68.182 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -76.762 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -94.034 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: 413 Temperature: 1.100000 Total energy: -958.650708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.650708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.650708 (E_RNA) where: Base-Base interactions energy: -621.890 where: short stacking energy: -261.444 Base-Backbone interact. energy: -1.908 local terms energy: -334.852630 where: bonds (distance) C4'-P energy: -75.438 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -70.009 flat angles P-C4'-P energy: -44.188 tors. eta vs tors. theta energy: -76.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -914.460671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.460671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.460671 (E_RNA) where: Base-Base interactions energy: -589.676 where: short stacking energy: -252.817 Base-Backbone interact. energy: -0.534 local terms energy: -324.250221 where: bonds (distance) C4'-P energy: -71.095 bonds (distance) P-C4' energy: -63.788 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -74.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -805.542556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.542556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.542556 (E_RNA) where: Base-Base interactions energy: -520.726 where: short stacking energy: -235.102 Base-Backbone interact. energy: -1.397 local terms energy: -283.419554 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -56.125 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -52.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -488.235198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.235198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.235198 (E_RNA) where: Base-Base interactions energy: -246.778 where: short stacking energy: -144.399 Base-Backbone interact. energy: -3.029 local terms energy: -238.427812 where: bonds (distance) C4'-P energy: -56.498 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -502.794852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.794852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.794852 (E_RNA) where: Base-Base interactions energy: -266.955 where: short stacking energy: -124.935 Base-Backbone interact. energy: -1.052 local terms energy: -234.787997 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -69.201 flat angles C4'-P-C4' energy: -61.511 flat angles P-C4'-P energy: -34.228 tors. eta vs tors. theta energy: -16.900 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: 413 Temperature: 1.350000 Total energy: -283.028404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.028404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.028404 (E_RNA) where: Base-Base interactions energy: -88.723 where: short stacking energy: -68.312 Base-Backbone interact. energy: 3.446 local terms energy: -197.751921 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -67.146 flat angles C4'-P-C4' energy: -51.800 flat angles P-C4'-P energy: -31.544 tors. eta vs tors. theta energy: 15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1254.310577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.310577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.310577 (E_RNA) where: Base-Base interactions energy: -868.477 where: short stacking energy: -380.458 Base-Backbone interact. energy: -0.363 local terms energy: -385.470847 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -77.617 flat angles C4'-P-C4' energy: -85.753 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -117.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1197.917538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.917538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.917538 (E_RNA) where: Base-Base interactions energy: -815.424 where: short stacking energy: -313.071 Base-Backbone interact. energy: -1.536 local terms energy: -380.957706 where: bonds (distance) C4'-P energy: -86.689 bonds (distance) P-C4' energy: -71.607 flat angles C4'-P-C4' energy: -79.948 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -93.285 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: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1180.943355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.943355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.943355 (E_RNA) where: Base-Base interactions energy: -808.613 where: short stacking energy: -351.614 Base-Backbone interact. energy: 4.238 local terms energy: -376.568051 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -74.346 flat angles C4'-P-C4' energy: -81.233 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -105.576 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: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1043.725290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.725290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.725290 (E_RNA) where: Base-Base interactions energy: -709.066 where: short stacking energy: -302.351 Base-Backbone interact. energy: -0.839 local terms energy: -333.820127 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -80.993 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -79.707 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -985.090646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.090646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.090646 (E_RNA) where: Base-Base interactions energy: -662.342 where: short stacking energy: -273.584 Base-Backbone interact. energy: 0.181 local terms energy: -322.929858 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -74.654 flat angles C4'-P-C4' energy: -78.943 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -72.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -966.335897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.335897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.335897 (E_RNA) where: Base-Base interactions energy: -633.789 where: short stacking energy: -285.733 Base-Backbone interact. energy: -0.316 local terms energy: -332.231258 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -72.386 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -82.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -809.960764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.960764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.960764 (E_RNA) where: Base-Base interactions energy: -525.806 where: short stacking energy: -216.071 Base-Backbone interact. energy: 7.214 local terms energy: -291.369592 where: bonds (distance) C4'-P energy: -66.907 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -47.421 tors. eta vs tors. theta energy: -49.523 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: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -529.880860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.880860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.880860 (E_RNA) where: Base-Base interactions energy: -283.857 where: short stacking energy: -150.474 Base-Backbone interact. energy: 1.003 local terms energy: -247.026474 where: bonds (distance) C4'-P energy: -57.555 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -64.369 flat angles P-C4'-P energy: -45.577 tors. eta vs tors. theta energy: -16.735 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: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -471.332709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.332709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.332709 (E_RNA) where: Base-Base interactions energy: -236.531 where: short stacking energy: -141.363 Base-Backbone interact. energy: 0.244 local terms energy: -235.045989 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -59.368 flat angles C4'-P-C4' energy: -59.329 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -23.813 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: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -290.023050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.023050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.023050 (E_RNA) where: Base-Base interactions energy: -92.091 where: short stacking energy: -68.715 Base-Backbone interact. energy: -1.006 local terms energy: -196.925995 where: bonds (distance) C4'-P energy: -53.660 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -41.689 flat angles P-C4'-P energy: -41.390 tors. eta vs tors. theta energy: 4.562 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: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1239.011904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.011904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.011904 (E_RNA) where: Base-Base interactions energy: -844.112 where: short stacking energy: -369.727 Base-Backbone interact. energy: 2.305 local terms energy: -397.204877 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -83.102 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: -112.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1220.274540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.274540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.274540 (E_RNA) where: Base-Base interactions energy: -844.777 where: short stacking energy: -354.598 Base-Backbone interact. energy: -1.074 local terms energy: -374.423567 where: bonds (distance) C4'-P energy: -80.447 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -102.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1160.898925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.898925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.898925 (E_RNA) where: Base-Base interactions energy: -801.161 where: short stacking energy: -311.785 Base-Backbone interact. energy: 1.394 local terms energy: -361.132552 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -68.588 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -88.886 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: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1044.725013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.725013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.725013 (E_RNA) where: Base-Base interactions energy: -701.208 where: short stacking energy: -307.689 Base-Backbone interact. energy: -0.379 local terms energy: -343.137400 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -67.617 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -36.301 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: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -943.528195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.528195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.528195 (E_RNA) where: Base-Base interactions energy: -606.648 where: short stacking energy: -280.068 Base-Backbone interact. energy: -0.096 local terms energy: -336.784230 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -70.251 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: -81.427 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: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -947.196401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.196401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.196401 (E_RNA) where: Base-Base interactions energy: -625.843 where: short stacking energy: -263.283 Base-Backbone interact. energy: -1.553 local terms energy: -319.800065 where: bonds (distance) C4'-P energy: -59.066 bonds (distance) P-C4' energy: -67.057 flat angles C4'-P-C4' energy: -75.000 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -70.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -798.330269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.330269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.330269 (E_RNA) where: Base-Base interactions energy: -522.536 where: short stacking energy: -245.952 Base-Backbone interact. energy: 0.680 local terms energy: -276.474680 where: bonds (distance) C4'-P energy: -52.584 bonds (distance) P-C4' energy: -68.026 flat angles C4'-P-C4' energy: -63.031 flat angles P-C4'-P energy: -33.895 tors. eta vs tors. theta energy: -58.939 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: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -483.590126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.590126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.590126 (E_RNA) where: Base-Base interactions energy: -238.247 where: short stacking energy: -119.301 Base-Backbone interact. energy: -0.971 local terms energy: -244.372515 where: bonds (distance) C4'-P energy: -62.652 bonds (distance) P-C4' energy: -69.884 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -33.160 tors. eta vs tors. theta energy: -18.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -474.056700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.056700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.056700 (E_RNA) where: Base-Base interactions energy: -246.422 where: short stacking energy: -121.713 Base-Backbone interact. energy: -0.825 local terms energy: -226.809722 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -64.460 flat angles C4'-P-C4' energy: -49.825 flat angles P-C4'-P energy: -35.277 tors. eta vs tors. theta energy: -10.799 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: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -323.900509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.900509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.900509 (E_RNA) where: Base-Base interactions energy: -123.246 where: short stacking energy: -100.522 Base-Backbone interact. energy: 0.113 local terms energy: -200.766772 where: bonds (distance) C4'-P energy: -38.265 bonds (distance) P-C4' energy: -50.841 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -6.201 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: 416 Temperature: 0.900000 Total energy: -1243.949952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.949952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.949952 (E_RNA) where: Base-Base interactions energy: -829.262 where: short stacking energy: -361.873 Base-Backbone interact. energy: -0.741 local terms energy: -413.946184 where: bonds (distance) C4'-P energy: -80.193 bonds (distance) P-C4' energy: -81.769 flat angles C4'-P-C4' energy: -81.586 flat angles P-C4'-P energy: -54.744 tors. eta vs tors. theta energy: -115.654 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: 2, replica: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1205.825450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.825450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.825450 (E_RNA) where: Base-Base interactions energy: -837.851 where: short stacking energy: -353.976 Base-Backbone interact. energy: 0.157 local terms energy: -368.131611 where: bonds (distance) C4'-P energy: -68.722 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -80.846 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -100.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1128.667047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.667047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.667047 (E_RNA) where: Base-Base interactions energy: -786.415 where: short stacking energy: -291.830 Base-Backbone interact. energy: -0.432 local terms energy: -341.819960 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -55.340 tors. eta vs tors. theta energy: -78.977 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: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1053.681808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.681808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.681808 (E_RNA) where: Base-Base interactions energy: -700.581 where: short stacking energy: -292.987 Base-Backbone interact. energy: -1.781 local terms energy: -351.319253 where: bonds (distance) C4'-P energy: -71.872 bonds (distance) P-C4' energy: -75.676 flat angles C4'-P-C4' energy: -71.068 flat angles P-C4'-P energy: -52.916 tors. eta vs tors. theta energy: -79.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -959.214176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.214176 (E_RNA) where: Base-Base interactions energy: -629.522 where: short stacking energy: -269.146 Base-Backbone interact. energy: 0.066 local terms energy: -329.757696 where: bonds (distance) C4'-P energy: -56.939 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -80.143 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -75.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -906.704064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.704064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.704064 (E_RNA) where: Base-Base interactions energy: -577.885 where: short stacking energy: -238.413 Base-Backbone interact. energy: -1.732 local terms energy: -327.087247 where: bonds (distance) C4'-P energy: -70.078 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -64.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -752.900953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.900953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.900953 (E_RNA) where: Base-Base interactions energy: -477.257 where: short stacking energy: -214.889 Base-Backbone interact. energy: -0.979 local terms energy: -274.665154 where: bonds (distance) C4'-P energy: -43.451 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -66.977 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -50.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -489.633773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.633773 (E_RNA) where: Base-Base interactions energy: -268.256 where: short stacking energy: -121.646 Base-Backbone interact. energy: 0.138 local terms energy: -221.516139 where: bonds (distance) C4'-P energy: -60.704 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -29.870 tors. eta vs tors. theta energy: 5.638 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: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -484.676724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.676724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.676724 (E_RNA) where: Base-Base interactions energy: -260.856 where: short stacking energy: -129.864 Base-Backbone interact. energy: 2.314 local terms energy: -226.134426 where: bonds (distance) C4'-P energy: -46.567 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -51.750 flat angles P-C4'-P energy: -52.177 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -326.785598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.785598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.785598 (E_RNA) where: Base-Base interactions energy: -148.080 where: short stacking energy: -71.549 Base-Backbone interact. energy: 4.205 local terms energy: -182.910737 where: bonds (distance) C4'-P energy: -59.682 bonds (distance) P-C4' energy: -74.908 flat angles C4'-P-C4' energy: -45.353 flat angles P-C4'-P energy: -19.038 tors. eta vs tors. theta energy: 16.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1239.708506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.708506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.708506 (E_RNA) where: Base-Base interactions energy: -837.248 where: short stacking energy: -368.309 Base-Backbone interact. energy: -3.236 local terms energy: -399.224592 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -85.270 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -116.647 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: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1208.944908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.944908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.944908 (E_RNA) where: Base-Base interactions energy: -818.880 where: short stacking energy: -347.952 Base-Backbone interact. energy: -0.314 local terms energy: -389.751174 where: bonds (distance) C4'-P energy: -70.031 bonds (distance) P-C4' energy: -79.194 flat angles C4'-P-C4' energy: -79.777 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -103.560 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: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1135.807200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.807200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.807200 (E_RNA) where: Base-Base interactions energy: -784.356 where: short stacking energy: -303.289 Base-Backbone interact. energy: -2.022 local terms energy: -349.429256 where: bonds (distance) C4'-P energy: -71.861 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -80.129 flat angles P-C4'-P energy: -49.958 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: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1074.703852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.703852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.703852 (E_RNA) where: Base-Base interactions energy: -739.443 where: short stacking energy: -330.203 Base-Backbone interact. energy: -0.735 local terms energy: -334.525462 where: bonds (distance) C4'-P energy: -63.168 bonds (distance) P-C4' energy: -51.227 flat angles C4'-P-C4' energy: -73.565 flat angles P-C4'-P energy: -49.848 tors. eta vs tors. theta energy: -96.717 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: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -991.452080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.452080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.452080 (E_RNA) where: Base-Base interactions energy: -661.876 where: short stacking energy: -285.611 Base-Backbone interact. energy: 0.472 local terms energy: -330.048737 where: bonds (distance) C4'-P energy: -64.942 bonds (distance) P-C4' energy: -77.241 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -47.528 tors. eta vs tors. theta energy: -65.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -984.965001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.965001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.965001 (E_RNA) where: Base-Base interactions energy: -649.919 where: short stacking energy: -285.605 Base-Backbone interact. energy: -1.937 local terms energy: -333.108506 where: bonds (distance) C4'-P energy: -65.743 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -66.702 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -86.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -726.447825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.447825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.447825 (E_RNA) where: Base-Base interactions energy: -448.443 where: short stacking energy: -199.896 Base-Backbone interact. energy: -0.829 local terms energy: -277.175929 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -61.443 flat angles C4'-P-C4' energy: -64.905 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -50.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -526.383012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.383012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.383012 (E_RNA) where: Base-Base interactions energy: -308.672 where: short stacking energy: -148.781 Base-Backbone interact. energy: 0.145 local terms energy: -217.855850 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -65.622 flat angles C4'-P-C4' energy: -48.514 flat angles P-C4'-P energy: -37.535 tors. eta vs tors. theta energy: -10.159 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: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -462.169295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.169295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.169295 (E_RNA) where: Base-Base interactions energy: -243.737 where: short stacking energy: -141.658 Base-Backbone interact. energy: -1.197 local terms energy: -217.235368 where: bonds (distance) C4'-P energy: -55.721 bonds (distance) P-C4' energy: -69.045 flat angles C4'-P-C4' energy: -48.479 flat angles P-C4'-P energy: -28.482 tors. eta vs tors. theta energy: -15.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -307.508626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.508626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.508626 (E_RNA) where: Base-Base interactions energy: -129.021 where: short stacking energy: -79.133 Base-Backbone interact. energy: -0.397 local terms energy: -178.089952 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -71.507 flat angles C4'-P-C4' energy: -39.546 flat angles P-C4'-P energy: -25.904 tors. eta vs tors. theta energy: 14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1247.341090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.341090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.341090 (E_RNA) where: Base-Base interactions energy: -852.820 where: short stacking energy: -362.604 Base-Backbone interact. energy: 3.278 local terms energy: -397.799659 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -93.982 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: -109.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1216.222147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.222147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.222147 (E_RNA) where: Base-Base interactions energy: -829.982 where: short stacking energy: -351.447 Base-Backbone interact. energy: -2.156 local terms energy: -384.084267 where: bonds (distance) C4'-P energy: -65.958 bonds (distance) P-C4' energy: -74.584 flat angles C4'-P-C4' energy: -77.126 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -107.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1099.986649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.986649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.986649 (E_RNA) where: Base-Base interactions energy: -744.147 where: short stacking energy: -341.945 Base-Backbone interact. energy: -0.527 local terms energy: -355.312910 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -68.866 flat angles C4'-P-C4' energy: -70.631 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -103.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1126.514614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.514614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.514614 (E_RNA) where: Base-Base interactions energy: -775.145 where: short stacking energy: -290.953 Base-Backbone interact. energy: -0.360 local terms energy: -351.009355 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -68.539 flat angles C4'-P-C4' energy: -83.637 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -80.284 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: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1009.261847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.261847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.261847 (E_RNA) where: Base-Base interactions energy: -698.114 where: short stacking energy: -285.824 Base-Backbone interact. energy: -1.493 local terms energy: -309.655087 where: bonds (distance) C4'-P energy: -64.877 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -41.729 tors. eta vs tors. theta energy: -70.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -969.620851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.620851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.620851 (E_RNA) where: Base-Base interactions energy: -666.497 where: short stacking energy: -271.974 Base-Backbone interact. energy: 0.435 local terms energy: -303.559315 where: bonds (distance) C4'-P energy: -57.875 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -55.809 flat angles P-C4'-P energy: -50.745 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: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -728.250337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.250337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.250337 (E_RNA) where: Base-Base interactions energy: -457.952 where: short stacking energy: -183.942 Base-Backbone interact. energy: -1.368 local terms energy: -268.930685 where: bonds (distance) C4'-P energy: -59.068 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -66.585 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -32.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -571.133583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.133583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.133583 (E_RNA) where: Base-Base interactions energy: -319.620 where: short stacking energy: -143.417 Base-Backbone interact. energy: -3.055 local terms energy: -248.458474 where: bonds (distance) C4'-P energy: -65.824 bonds (distance) P-C4' energy: -56.313 flat angles C4'-P-C4' energy: -55.942 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: -30.359 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: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -495.019881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.019881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.019881 (E_RNA) where: Base-Base interactions energy: -235.482 where: short stacking energy: -117.006 Base-Backbone interact. energy: -0.406 local terms energy: -259.131223 where: bonds (distance) C4'-P energy: -74.409 bonds (distance) P-C4' energy: -67.871 flat angles C4'-P-C4' energy: -58.928 flat angles P-C4'-P energy: -32.723 tors. eta vs tors. theta energy: -25.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -275.943998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.943998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.943998 (E_RNA) where: Base-Base interactions energy: -88.844 where: short stacking energy: -78.466 Base-Backbone interact. energy: 2.635 local terms energy: -189.734892 where: bonds (distance) C4'-P energy: -52.249 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -47.188 flat angles P-C4'-P energy: -34.033 tors. eta vs tors. theta energy: 6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1244.978322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.978322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.978322 (E_RNA) where: Base-Base interactions energy: -860.381 where: short stacking energy: -366.978 Base-Backbone interact. energy: -0.354 local terms energy: -384.243660 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -77.991 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -112.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1207.191576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.191576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.191576 (E_RNA) where: Base-Base interactions energy: -833.904 where: short stacking energy: -352.037 Base-Backbone interact. energy: -1.859 local terms energy: -371.429022 where: bonds (distance) C4'-P energy: -63.047 bonds (distance) P-C4' energy: -77.164 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -105.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1107.452289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.452289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.452289 (E_RNA) where: Base-Base interactions energy: -733.042 where: short stacking energy: -318.633 Base-Backbone interact. energy: -1.590 local terms energy: -372.820540 where: bonds (distance) C4'-P energy: -73.434 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -78.685 flat angles P-C4'-P energy: -55.763 tors. eta vs tors. theta energy: -101.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1107.766400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.766400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.766400 (E_RNA) where: Base-Base interactions energy: -787.341 where: short stacking energy: -308.129 Base-Backbone interact. energy: -1.460 local terms energy: -318.965368 where: bonds (distance) C4'-P energy: -61.797 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -74.958 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -77.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -992.399423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.399423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.399423 (E_RNA) where: Base-Base interactions energy: -666.694 where: short stacking energy: -289.106 Base-Backbone interact. energy: -0.343 local terms energy: -325.362374 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -68.461 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -40.840 tors. eta vs tors. theta energy: -80.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -946.089704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.089704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.089704 (E_RNA) where: Base-Base interactions energy: -631.814 where: short stacking energy: -278.127 Base-Backbone interact. energy: 1.102 local terms energy: -315.377838 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -62.096 flat angles P-C4'-P energy: -40.259 tors. eta vs tors. theta energy: -75.660 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: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -759.307547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.307547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.307547 (E_RNA) where: Base-Base interactions energy: -479.803 where: short stacking energy: -212.804 Base-Backbone interact. energy: -1.655 local terms energy: -277.848645 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -69.790 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -44.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -564.042877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.042877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.042877 (E_RNA) where: Base-Base interactions energy: -321.043 where: short stacking energy: -164.576 Base-Backbone interact. energy: -1.390 local terms energy: -241.610384 where: bonds (distance) C4'-P energy: -55.177 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -59.544 flat angles P-C4'-P energy: -40.421 tors. eta vs tors. theta energy: -18.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -463.622738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.622738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.622738 (E_RNA) where: Base-Base interactions energy: -244.245 where: short stacking energy: -120.926 Base-Backbone interact. energy: -0.267 local terms energy: -219.110343 where: bonds (distance) C4'-P energy: -67.625 bonds (distance) P-C4' energy: -57.678 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -33.853 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -288.630077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.630077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.630077 (E_RNA) where: Base-Base interactions energy: -89.817 where: short stacking energy: -68.279 Base-Backbone interact. energy: 2.561 local terms energy: -201.373604 where: bonds (distance) C4'-P energy: -67.449 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -48.513 flat angles P-C4'-P energy: -33.980 tors. eta vs tors. theta energy: 3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1240.254913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.254913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.254913 (E_RNA) where: Base-Base interactions energy: -846.805 where: short stacking energy: -352.201 Base-Backbone interact. energy: -2.305 local terms energy: -391.144716 where: bonds (distance) C4'-P energy: -71.268 bonds (distance) P-C4' energy: -77.148 flat angles C4'-P-C4' energy: -79.937 flat angles P-C4'-P energy: -57.869 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: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1224.439747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.439747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.439747 (E_RNA) where: Base-Base interactions energy: -816.359 where: short stacking energy: -359.962 Base-Backbone interact. energy: 1.307 local terms energy: -409.387323 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -72.387 flat angles C4'-P-C4' energy: -84.005 flat angles P-C4'-P energy: -59.446 tors. eta vs tors. theta energy: -115.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1131.062076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.062076 (E_RNA) where: Base-Base interactions energy: -728.732 where: short stacking energy: -348.139 Base-Backbone interact. energy: -2.688 local terms energy: -399.642895 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -76.708 flat angles C4'-P-C4' energy: -86.241 flat angles P-C4'-P energy: -45.483 tors. eta vs tors. theta energy: -111.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1115.714551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.714551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.714551 (E_RNA) where: Base-Base interactions energy: -765.950 where: short stacking energy: -288.792 Base-Backbone interact. energy: -3.848 local terms energy: -345.916095 where: bonds (distance) C4'-P energy: -67.739 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -78.664 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -76.592 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: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1009.486321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.486321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.486321 (E_RNA) where: Base-Base interactions energy: -667.737 where: short stacking energy: -279.259 Base-Backbone interact. energy: -0.939 local terms energy: -340.809726 where: bonds (distance) C4'-P energy: -73.709 bonds (distance) P-C4' energy: -66.295 flat angles C4'-P-C4' energy: -71.009 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -82.207 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: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -971.039211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.039211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.039211 (E_RNA) where: Base-Base interactions energy: -657.613 where: short stacking energy: -282.176 Base-Backbone interact. energy: -0.648 local terms energy: -312.777597 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: -83.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -761.121066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.121066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.121066 (E_RNA) where: Base-Base interactions energy: -470.288 where: short stacking energy: -198.982 Base-Backbone interact. energy: -1.742 local terms energy: -289.090474 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -72.946 flat angles C4'-P-C4' energy: -72.597 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: -40.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -486.991190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.991190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.991190 (E_RNA) where: Base-Base interactions energy: -259.245 where: short stacking energy: -111.725 Base-Backbone interact. energy: -1.573 local terms energy: -226.173356 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -62.308 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -474.382600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.382600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.382600 (E_RNA) where: Base-Base interactions energy: -252.039 where: short stacking energy: -132.112 Base-Backbone interact. energy: 3.654 local terms energy: -225.997755 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -63.192 flat angles C4'-P-C4' energy: -60.171 flat angles P-C4'-P energy: -19.626 tors. eta vs tors. theta energy: -11.823 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: 420 Temperature: 1.350000 Total energy: -287.224116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.224116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.224116 (E_RNA) where: Base-Base interactions energy: -102.436 where: short stacking energy: -67.799 Base-Backbone interact. energy: -0.478 local terms energy: -184.310273 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -57.909 flat angles P-C4'-P energy: -18.545 tors. eta vs tors. theta energy: 15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1238.750968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.750968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.750968 (E_RNA) where: Base-Base interactions energy: -844.508 where: short stacking energy: -365.489 Base-Backbone interact. energy: 1.286 local terms energy: -395.529461 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -106.392 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: 421 Temperature: 0.950000 Total energy: -1231.764648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.764648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.764648 (E_RNA) where: Base-Base interactions energy: -851.097 where: short stacking energy: -381.448 Base-Backbone interact. energy: -1.337 local terms energy: -379.331006 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -71.517 flat angles P-C4'-P energy: -51.102 tors. eta vs tors. theta energy: -111.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1127.951316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.951316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.951316 (E_RNA) where: Base-Base interactions energy: -771.312 where: short stacking energy: -331.688 Base-Backbone interact. energy: -1.497 local terms energy: -355.141381 where: bonds (distance) C4'-P energy: -61.669 bonds (distance) P-C4' energy: -66.094 flat angles C4'-P-C4' energy: -84.045 flat angles P-C4'-P energy: -46.374 tors. eta vs tors. theta energy: -96.959 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: 421 Temperature: 1.050000 Total energy: -1102.585958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.585958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.585958 (E_RNA) where: Base-Base interactions energy: -766.847 where: short stacking energy: -302.212 Base-Backbone interact. energy: -1.421 local terms energy: -334.318568 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -72.893 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -76.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1022.713537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.713537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.713537 (E_RNA) where: Base-Base interactions energy: -686.466 where: short stacking energy: -280.072 Base-Backbone interact. energy: 0.414 local terms energy: -336.661952 where: bonds (distance) C4'-P energy: -62.119 bonds (distance) P-C4' energy: -75.195 flat angles C4'-P-C4' energy: -76.099 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -74.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -951.528875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.528875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.528875 (E_RNA) where: Base-Base interactions energy: -627.116 where: short stacking energy: -285.001 Base-Backbone interact. energy: 0.969 local terms energy: -325.382597 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -67.886 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -41.591 tors. eta vs tors. theta energy: -81.412 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: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -784.786633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.786633 (E_RNA) where: Base-Base interactions energy: -527.933 where: short stacking energy: -226.372 Base-Backbone interact. energy: -1.031 local terms energy: -255.822729 where: bonds (distance) C4'-P energy: -48.439 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -61.116 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -45.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -476.845474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.845474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.845474 (E_RNA) where: Base-Base interactions energy: -255.923 where: short stacking energy: -150.477 Base-Backbone interact. energy: -0.685 local terms energy: -220.237526 where: bonds (distance) C4'-P energy: -61.807 bonds (distance) P-C4' energy: -71.586 flat angles C4'-P-C4' energy: -45.644 flat angles P-C4'-P energy: -30.236 tors. eta vs tors. theta energy: -10.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -547.930927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.930927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.930927 (E_RNA) where: Base-Base interactions energy: -299.729 where: short stacking energy: -147.189 Base-Backbone interact. energy: -0.575 local terms energy: -247.626901 where: bonds (distance) C4'-P energy: -51.608 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -69.399 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -24.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -272.582961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.582961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.582961 (E_RNA) where: Base-Base interactions energy: -92.667 where: short stacking energy: -72.283 Base-Backbone interact. energy: -1.230 local terms energy: -178.685761 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -43.460 flat angles P-C4'-P energy: -35.044 tors. eta vs tors. theta energy: 13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1236.360219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.360219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.360219 (E_RNA) where: Base-Base interactions energy: -846.799 where: short stacking energy: -349.372 Base-Backbone interact. energy: -2.735 local terms energy: -386.825420 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -69.466 flat angles C4'-P-C4' energy: -77.766 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -110.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1227.611534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.611534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.611534 (E_RNA) where: Base-Base interactions energy: -832.192 where: short stacking energy: -353.614 Base-Backbone interact. energy: -0.296 local terms energy: -395.123535 where: bonds (distance) C4'-P energy: -74.523 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -73.178 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -118.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1122.858905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.858905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.858905 (E_RNA) where: Base-Base interactions energy: -734.047 where: short stacking energy: -327.819 Base-Backbone interact. energy: -2.909 local terms energy: -385.902345 where: bonds (distance) C4'-P energy: -76.641 bonds (distance) P-C4' energy: -74.096 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -106.930 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: 422 Temperature: 1.050000 Total energy: -1079.938506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.938506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.938506 (E_RNA) where: Base-Base interactions energy: -742.185 where: short stacking energy: -280.977 Base-Backbone interact. energy: 0.764 local terms energy: -338.516987 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -75.329 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -73.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1012.850517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.850517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.850517 (E_RNA) where: Base-Base interactions energy: -674.168 where: short stacking energy: -294.918 Base-Backbone interact. energy: -1.677 local terms energy: -337.005583 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -72.786 flat angles C4'-P-C4' energy: -70.688 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -82.691 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: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -941.100387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.100387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.100387 (E_RNA) where: Base-Base interactions energy: -613.419 where: short stacking energy: -265.033 Base-Backbone interact. energy: -1.778 local terms energy: -325.903907 where: bonds (distance) C4'-P energy: -71.702 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -66.983 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -78.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -745.955355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.955355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.955355 (E_RNA) where: Base-Base interactions energy: -450.487 where: short stacking energy: -207.079 Base-Backbone interact. energy: -0.317 local terms energy: -295.151591 where: bonds (distance) C4'-P energy: -68.521 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -63.730 flat angles P-C4'-P energy: -47.717 tors. eta vs tors. theta energy: -47.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -510.342152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.342152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.342152 (E_RNA) where: Base-Base interactions energy: -262.854 where: short stacking energy: -157.295 Base-Backbone interact. energy: -0.766 local terms energy: -246.721945 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -70.304 flat angles C4'-P-C4' energy: -64.439 flat angles P-C4'-P energy: -21.971 tors. eta vs tors. theta energy: -24.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -551.845583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.845583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.845583 (E_RNA) where: Base-Base interactions energy: -306.715 where: short stacking energy: -164.422 Base-Backbone interact. energy: 5.251 local terms energy: -250.381445 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -58.309 flat angles P-C4'-P energy: -37.497 tors. eta vs tors. theta energy: -28.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -301.701393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.701393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.701393 (E_RNA) where: Base-Base interactions energy: -93.719 where: short stacking energy: -75.946 Base-Backbone interact. energy: 1.790 local terms energy: -209.772169 where: bonds (distance) C4'-P energy: -50.175 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -59.731 flat angles P-C4'-P energy: -36.667 tors. eta vs tors. theta energy: 4.835 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: 423 Temperature: 0.900000 Total energy: -1243.382460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.382460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.382460 (E_RNA) where: Base-Base interactions energy: -849.125 where: short stacking energy: -360.530 Base-Backbone interact. energy: 2.097 local terms energy: -396.354098 where: bonds (distance) C4'-P energy: -76.877 bonds (distance) P-C4' energy: -75.655 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -54.903 tors. eta vs tors. theta energy: -106.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1215.384176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.384176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.384176 (E_RNA) where: Base-Base interactions energy: -835.770 where: short stacking energy: -357.253 Base-Backbone interact. energy: -1.351 local terms energy: -378.263294 where: bonds (distance) C4'-P energy: -70.545 bonds (distance) P-C4' energy: -67.458 flat angles C4'-P-C4' energy: -76.088 flat angles P-C4'-P energy: -51.369 tors. eta vs tors. theta energy: -112.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1108.239831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.239831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.239831 (E_RNA) where: Base-Base interactions energy: -736.477 where: short stacking energy: -332.771 Base-Backbone interact. energy: 1.187 local terms energy: -372.949804 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -63.616 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -53.135 tors. eta vs tors. theta energy: -112.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1107.219658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.219658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.219658 (E_RNA) where: Base-Base interactions energy: -750.071 where: short stacking energy: -299.230 Base-Backbone interact. energy: -1.398 local terms energy: -355.750786 where: bonds (distance) C4'-P energy: -66.905 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -52.003 tors. eta vs tors. theta energy: -82.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1005.448772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.448772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.448772 (E_RNA) where: Base-Base interactions energy: -687.642 where: short stacking energy: -274.788 Base-Backbone interact. energy: -0.976 local terms energy: -316.830506 where: bonds (distance) C4'-P energy: -52.024 bonds (distance) P-C4' energy: -74.679 flat angles C4'-P-C4' energy: -73.203 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -69.900 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: 423 Temperature: 1.150000 Total energy: -944.350647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.350647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.350647 (E_RNA) where: Base-Base interactions energy: -620.278 where: short stacking energy: -257.964 Base-Backbone interact. energy: -1.452 local terms energy: -322.620319 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: -67.235 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: 423 Temperature: 1.200000 Total energy: -703.108021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.108021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.108021 (E_RNA) where: Base-Base interactions energy: -433.725 where: short stacking energy: -199.710 Base-Backbone interact. energy: -1.107 local terms energy: -268.275391 where: bonds (distance) C4'-P energy: -49.589 bonds (distance) P-C4' energy: -69.338 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -45.376 tors. eta vs tors. theta energy: -36.917 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: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -577.141104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.141104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.141104 (E_RNA) where: Base-Base interactions energy: -327.961 where: short stacking energy: -176.571 Base-Backbone interact. energy: 1.575 local terms energy: -250.755549 where: bonds (distance) C4'-P energy: -54.534 bonds (distance) P-C4' energy: -71.751 flat angles C4'-P-C4' energy: -56.197 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -27.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -484.140142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.140142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.140142 (E_RNA) where: Base-Base interactions energy: -242.155 where: short stacking energy: -130.836 Base-Backbone interact. energy: 2.706 local terms energy: -244.691668 where: bonds (distance) C4'-P energy: -66.858 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -54.672 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -8.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -284.510132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.510132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.510132 (E_RNA) where: Base-Base interactions energy: -114.638 where: short stacking energy: -113.128 Base-Backbone interact. energy: 0.341 local terms energy: -170.213099 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -54.332 flat angles C4'-P-C4' energy: -37.400 flat angles P-C4'-P energy: -18.497 tors. eta vs tors. theta energy: -7.967 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: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1221.312067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.312067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.312067 (E_RNA) where: Base-Base interactions energy: -828.560 where: short stacking energy: -362.360 Base-Backbone interact. energy: -2.033 local terms energy: -390.719220 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -76.969 flat angles C4'-P-C4' energy: -84.392 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -112.743 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: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1202.684976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.684976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.684976 (E_RNA) where: Base-Base interactions energy: -826.150 where: short stacking energy: -348.491 Base-Backbone interact. energy: -2.485 local terms energy: -374.049271 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -53.689 tors. eta vs tors. theta energy: -97.070 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: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1098.928526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.928526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.928526 (E_RNA) where: Base-Base interactions energy: -730.407 where: short stacking energy: -319.762 Base-Backbone interact. energy: -1.433 local terms energy: -367.088503 where: bonds (distance) C4'-P energy: -64.824 bonds (distance) P-C4' energy: -82.036 flat angles C4'-P-C4' energy: -75.471 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -97.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1084.633096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.633096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.633096 (E_RNA) where: Base-Base interactions energy: -743.632 where: short stacking energy: -280.404 Base-Backbone interact. energy: -3.360 local terms energy: -337.640594 where: bonds (distance) C4'-P energy: -64.099 bonds (distance) P-C4' energy: -73.445 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -46.813 tors. eta vs tors. theta energy: -78.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1012.972127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.972127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.972127 (E_RNA) where: Base-Base interactions energy: -670.628 where: short stacking energy: -293.301 Base-Backbone interact. energy: -0.790 local terms energy: -341.554170 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -78.543 flat angles P-C4'-P energy: -46.683 tors. eta vs tors. theta energy: -86.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -927.427832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.427832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.427832 (E_RNA) where: Base-Base interactions energy: -648.597 where: short stacking energy: -242.373 Base-Backbone interact. energy: -2.623 local terms energy: -276.208235 where: bonds (distance) C4'-P energy: -67.351 bonds (distance) P-C4' energy: -59.029 flat angles C4'-P-C4' energy: -63.820 flat angles P-C4'-P energy: -35.691 tors. eta vs tors. theta energy: -50.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -699.543547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.543547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.543547 (E_RNA) where: Base-Base interactions energy: -413.284 where: short stacking energy: -201.815 Base-Backbone interact. energy: -1.507 local terms energy: -284.752619 where: bonds (distance) C4'-P energy: -71.123 bonds (distance) P-C4' energy: -72.637 flat angles C4'-P-C4' energy: -68.595 flat angles P-C4'-P energy: -39.325 tors. eta vs tors. theta energy: -33.072 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: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -557.593717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.593717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.593717 (E_RNA) where: Base-Base interactions energy: -342.018 where: short stacking energy: -145.161 Base-Backbone interact. energy: 1.046 local terms energy: -216.621568 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -67.085 flat angles C4'-P-C4' energy: -43.403 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -14.756 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: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -465.626248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.626248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.626248 (E_RNA) where: Base-Base interactions energy: -257.291 where: short stacking energy: -144.817 Base-Backbone interact. energy: -3.210 local terms energy: -205.124676 where: bonds (distance) C4'-P energy: -44.370 bonds (distance) P-C4' energy: -60.250 flat angles C4'-P-C4' energy: -61.553 flat angles P-C4'-P energy: -23.198 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -332.498173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.498173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.498173 (E_RNA) where: Base-Base interactions energy: -160.055 where: short stacking energy: -100.217 Base-Backbone interact. energy: -1.887 local terms energy: -170.555761 where: bonds (distance) C4'-P energy: -46.379 bonds (distance) P-C4' energy: -69.428 flat angles C4'-P-C4' energy: -30.835 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: 9.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1233.334030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.334030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.334030 (E_RNA) where: Base-Base interactions energy: -839.096 where: short stacking energy: -361.358 Base-Backbone interact. energy: -2.691 local terms energy: -391.546638 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -79.592 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -117.743 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: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1211.137650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.137650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.137650 (E_RNA) where: Base-Base interactions energy: -832.706 where: short stacking energy: -344.059 Base-Backbone interact. energy: 0.631 local terms energy: -379.063003 where: bonds (distance) C4'-P energy: -72.645 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -86.651 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -104.327 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: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1098.772524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.772524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.772524 (E_RNA) where: Base-Base interactions energy: -733.792 where: short stacking energy: -315.490 Base-Backbone interact. energy: -2.771 local terms energy: -362.208814 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -72.491 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -100.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1089.027365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.027365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.027365 (E_RNA) where: Base-Base interactions energy: -766.962 where: short stacking energy: -309.947 Base-Backbone interact. energy: -1.362 local terms energy: -320.703022 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -68.329 flat angles C4'-P-C4' energy: -66.970 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -71.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -996.454560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.454560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.454560 (E_RNA) where: Base-Base interactions energy: -680.149 where: short stacking energy: -300.170 Base-Backbone interact. energy: -1.128 local terms energy: -315.178071 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -61.531 flat angles P-C4'-P energy: -46.193 tors. eta vs tors. theta energy: -82.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -907.864288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.864288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.864288 (E_RNA) where: Base-Base interactions energy: -615.613 where: short stacking energy: -245.654 Base-Backbone interact. energy: -1.081 local terms energy: -291.169843 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -69.575 flat angles C4'-P-C4' energy: -56.332 flat angles P-C4'-P energy: -36.780 tors. eta vs tors. theta energy: -64.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -673.446577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.446577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.446577 (E_RNA) where: Base-Base interactions energy: -405.225 where: short stacking energy: -195.577 Base-Backbone interact. energy: -3.484 local terms energy: -264.737494 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -60.580 flat angles C4'-P-C4' energy: -65.580 flat angles P-C4'-P energy: -44.984 tors. eta vs tors. theta energy: -32.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -603.601961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.601961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.601961 (E_RNA) where: Base-Base interactions energy: -340.413 where: short stacking energy: -166.264 Base-Backbone interact. energy: -0.567 local terms energy: -262.621609 where: bonds (distance) C4'-P energy: -49.483 bonds (distance) P-C4' energy: -73.105 flat angles C4'-P-C4' energy: -58.803 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -30.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -505.329568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.329568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.329568 (E_RNA) where: Base-Base interactions energy: -278.631 where: short stacking energy: -149.084 Base-Backbone interact. energy: 2.772 local terms energy: -229.470907 where: bonds (distance) C4'-P energy: -60.525 bonds (distance) P-C4' energy: -61.861 flat angles C4'-P-C4' energy: -54.904 flat angles P-C4'-P energy: -39.983 tors. eta vs tors. theta energy: -12.198 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: 1 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -319.541466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.541466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.541466 (E_RNA) where: Base-Base interactions energy: -124.784 where: short stacking energy: -88.885 Base-Backbone interact. energy: -0.285 local terms energy: -194.472675 where: bonds (distance) C4'-P energy: -53.805 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -54.101 flat angles P-C4'-P energy: -32.807 tors. eta vs tors. theta energy: 15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1248.798964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.798964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.798964 (E_RNA) where: Base-Base interactions energy: -864.014 where: short stacking energy: -363.291 Base-Backbone interact. energy: -0.466 local terms energy: -384.318175 where: bonds (distance) C4'-P energy: -65.322 bonds (distance) P-C4' energy: -71.580 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: -114.950 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: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1219.611508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.611508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.611508 (E_RNA) where: Base-Base interactions energy: -842.675 where: short stacking energy: -352.875 Base-Backbone interact. energy: -1.027 local terms energy: -375.910159 where: bonds (distance) C4'-P energy: -67.303 bonds (distance) P-C4' energy: -67.083 flat angles C4'-P-C4' energy: -79.789 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -103.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1118.050019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.050019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.050019 (E_RNA) where: Base-Base interactions energy: -753.480 where: short stacking energy: -329.173 Base-Backbone interact. energy: -4.084 local terms energy: -360.485639 where: bonds (distance) C4'-P energy: -60.701 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -77.606 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: -100.139 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: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1076.448189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.448189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.448189 (E_RNA) where: Base-Base interactions energy: -751.775 where: short stacking energy: -321.658 Base-Backbone interact. energy: 3.395 local terms energy: -328.067747 where: bonds (distance) C4'-P energy: -69.308 bonds (distance) P-C4' energy: -58.095 flat angles C4'-P-C4' energy: -75.475 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -78.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -957.157555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.157555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.157555 (E_RNA) where: Base-Base interactions energy: -649.164 where: short stacking energy: -276.550 Base-Backbone interact. energy: -1.680 local terms energy: -306.313555 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -35.214 tors. eta vs tors. theta energy: -81.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -926.500994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.500994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.500994 (E_RNA) where: Base-Base interactions energy: -619.634 where: short stacking energy: -256.494 Base-Backbone interact. energy: -1.995 local terms energy: -304.871684 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -61.766 flat angles C4'-P-C4' energy: -67.340 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -62.767 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: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -682.776075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.776075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.776075 (E_RNA) where: Base-Base interactions energy: -401.137 where: short stacking energy: -189.993 Base-Backbone interact. energy: 1.119 local terms energy: -282.758468 where: bonds (distance) C4'-P energy: -69.388 bonds (distance) P-C4' energy: -71.646 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: -29.848 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: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -594.752718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.752718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.752718 (E_RNA) where: Base-Base interactions energy: -361.549 where: short stacking energy: -171.712 Base-Backbone interact. energy: -1.260 local terms energy: -231.944343 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -56.253 flat angles C4'-P-C4' energy: -48.878 flat angles P-C4'-P energy: -37.840 tors. eta vs tors. theta energy: -26.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -479.361107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.361107 (E_RNA) where: Base-Base interactions energy: -257.139 where: short stacking energy: -135.872 Base-Backbone interact. energy: -0.979 local terms energy: -221.242583 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -49.530 flat angles P-C4'-P energy: -35.364 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -323.937669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.937669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.937669 (E_RNA) where: Base-Base interactions energy: -115.978 where: short stacking energy: -82.796 Base-Backbone interact. energy: 0.896 local terms energy: -208.856466 where: bonds (distance) C4'-P energy: -44.776 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -30.012 tors. eta vs tors. theta energy: -9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1246.198653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.198653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.198653 (E_RNA) where: Base-Base interactions energy: -826.639 where: short stacking energy: -355.208 Base-Backbone interact. energy: 2.018 local terms energy: -421.577175 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -86.441 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -116.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1203.957174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.957174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.957174 (E_RNA) where: Base-Base interactions energy: -816.604 where: short stacking energy: -359.937 Base-Backbone interact. energy: -0.752 local terms energy: -386.601716 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -79.067 flat angles C4'-P-C4' energy: -84.513 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -97.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1126.756379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.756379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.756379 (E_RNA) where: Base-Base interactions energy: -747.940 where: short stacking energy: -328.271 Base-Backbone interact. energy: -3.651 local terms energy: -375.165491 where: bonds (distance) C4'-P energy: -73.015 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -51.718 tors. eta vs tors. theta energy: -103.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1095.615432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.615432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.615432 (E_RNA) where: Base-Base interactions energy: -744.629 where: short stacking energy: -286.975 Base-Backbone interact. energy: -0.917 local terms energy: -350.069753 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -79.148 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -77.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -958.465033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.465033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.465033 (E_RNA) where: Base-Base interactions energy: -631.625 where: short stacking energy: -266.430 Base-Backbone interact. energy: -1.551 local terms energy: -325.288835 where: bonds (distance) C4'-P energy: -66.226 bonds (distance) P-C4' energy: -63.310 flat angles C4'-P-C4' energy: -73.028 flat angles P-C4'-P energy: -50.789 tors. eta vs tors. theta energy: -71.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -955.760085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.760085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.760085 (E_RNA) where: Base-Base interactions energy: -645.219 where: short stacking energy: -287.683 Base-Backbone interact. energy: -0.414 local terms energy: -310.127461 where: bonds (distance) C4'-P energy: -60.120 bonds (distance) P-C4' energy: -53.405 flat angles C4'-P-C4' energy: -67.116 flat angles P-C4'-P energy: -53.915 tors. eta vs tors. theta energy: -75.571 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: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -711.249070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.249070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.249070 (E_RNA) where: Base-Base interactions energy: -412.965 where: short stacking energy: -188.037 Base-Backbone interact. energy: -0.660 local terms energy: -297.623735 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -73.701 flat angles C4'-P-C4' energy: -67.167 flat angles P-C4'-P energy: -40.158 tors. eta vs tors. theta energy: -48.551 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: 427 Temperature: 1.250000 Total energy: -493.159104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.159104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.159104 (E_RNA) where: Base-Base interactions energy: -238.989 where: short stacking energy: -124.656 Base-Backbone interact. energy: 1.997 local terms energy: -256.167294 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -54.976 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: -32.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -545.074730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.074730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.074730 (E_RNA) where: Base-Base interactions energy: -309.947 where: short stacking energy: -163.822 Base-Backbone interact. energy: -1.278 local terms energy: -233.850447 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -56.598 flat angles C4'-P-C4' energy: -59.571 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: -27.344 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: 427 Temperature: 1.350000 Total energy: -309.391407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.391407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.391407 (E_RNA) where: Base-Base interactions energy: -110.250 where: short stacking energy: -91.338 Base-Backbone interact. energy: 0.086 local terms energy: -199.228327 where: bonds (distance) C4'-P energy: -51.314 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: 16.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1221.627223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.627223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.627223 (E_RNA) where: Base-Base interactions energy: -839.036 where: short stacking energy: -350.815 Base-Backbone interact. energy: -1.578 local terms energy: -381.012844 where: bonds (distance) C4'-P energy: -67.682 bonds (distance) P-C4' energy: -72.057 flat angles C4'-P-C4' energy: -83.184 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -103.628 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: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1207.872262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.872262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.872262 (E_RNA) where: Base-Base interactions energy: -823.174 where: short stacking energy: -351.974 Base-Backbone interact. energy: -3.232 local terms energy: -381.466744 where: bonds (distance) C4'-P energy: -75.634 bonds (distance) P-C4' energy: -74.167 flat angles C4'-P-C4' energy: -78.763 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -109.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1126.243979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.243979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.243979 (E_RNA) where: Base-Base interactions energy: -761.077 where: short stacking energy: -330.900 Base-Backbone interact. energy: -1.814 local terms energy: -363.353525 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -72.629 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -98.606 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: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1096.279645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.279645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.279645 (E_RNA) where: Base-Base interactions energy: -762.791 where: short stacking energy: -285.717 Base-Backbone interact. energy: -0.684 local terms energy: -332.804389 where: bonds (distance) C4'-P energy: -67.697 bonds (distance) P-C4' energy: -64.525 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: -89.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1019.831571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.831571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.831571 (E_RNA) where: Base-Base interactions energy: -688.073 where: short stacking energy: -280.271 Base-Backbone interact. energy: -1.386 local terms energy: -330.371605 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -73.408 flat angles C4'-P-C4' energy: -69.496 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -80.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -912.106461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.106461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.106461 (E_RNA) where: Base-Base interactions energy: -617.713 where: short stacking energy: -260.891 Base-Backbone interact. energy: -1.688 local terms energy: -292.705421 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -36.896 tors. eta vs tors. theta energy: -68.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -670.820005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.820005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.820005 (E_RNA) where: Base-Base interactions energy: -406.943 where: short stacking energy: -168.632 Base-Backbone interact. energy: -1.846 local terms energy: -262.031326 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -60.314 flat angles C4'-P-C4' energy: -67.063 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -31.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -501.969866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.969866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.969866 (E_RNA) where: Base-Base interactions energy: -262.140 where: short stacking energy: -133.574 Base-Backbone interact. energy: -2.219 local terms energy: -237.611183 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -70.261 flat angles C4'-P-C4' energy: -56.287 flat angles P-C4'-P energy: -41.239 tors. eta vs tors. theta energy: -9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -546.937507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.937507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.937507 (E_RNA) where: Base-Base interactions energy: -305.495 where: short stacking energy: -155.408 Base-Backbone interact. energy: -3.434 local terms energy: -238.008027 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -45.764 flat angles C4'-P-C4' energy: -60.101 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -34.653 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: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -294.198740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.198740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.198740 (E_RNA) where: Base-Base interactions energy: -105.972 where: short stacking energy: -78.625 Base-Backbone interact. energy: 0.359 local terms energy: -188.585622 where: bonds (distance) C4'-P energy: -61.484 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -39.658 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: 11.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1214.481864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.481864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.481864 (E_RNA) where: Base-Base interactions energy: -831.248 where: short stacking energy: -363.931 Base-Backbone interact. energy: -3.357 local terms energy: -379.877626 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -85.280 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -111.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1205.806693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.806693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.806693 (E_RNA) where: Base-Base interactions energy: -823.532 where: short stacking energy: -340.225 Base-Backbone interact. energy: -0.131 local terms energy: -382.143771 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -60.130 flat angles C4'-P-C4' energy: -81.943 flat angles P-C4'-P energy: -52.425 tors. eta vs tors. theta energy: -112.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1098.742025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.742025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.742025 (E_RNA) where: Base-Base interactions energy: -742.191 where: short stacking energy: -307.201 Base-Backbone interact. energy: 0.314 local terms energy: -356.864286 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -74.685 flat angles C4'-P-C4' energy: -74.181 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: -91.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1130.000031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.000031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.000031 (E_RNA) where: Base-Base interactions energy: -775.731 where: short stacking energy: -300.939 Base-Backbone interact. energy: 2.547 local terms energy: -356.815715 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -79.265 flat angles P-C4'-P energy: -53.184 tors. eta vs tors. theta energy: -93.668 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: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1019.755174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.755174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.755174 (E_RNA) where: Base-Base interactions energy: -682.751 where: short stacking energy: -282.851 Base-Backbone interact. energy: -0.473 local terms energy: -336.530365 where: bonds (distance) C4'-P energy: -62.852 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -41.064 tors. eta vs tors. theta energy: -91.600 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: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -938.008146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.008146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.008146 (E_RNA) where: Base-Base interactions energy: -615.896 where: short stacking energy: -267.096 Base-Backbone interact. energy: -0.918 local terms energy: -321.194217 where: bonds (distance) C4'-P energy: -64.282 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -66.841 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -79.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -683.626515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.626515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.626515 (E_RNA) where: Base-Base interactions energy: -409.753 where: short stacking energy: -190.116 Base-Backbone interact. energy: 2.978 local terms energy: -276.851720 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -66.685 flat angles C4'-P-C4' energy: -63.512 flat angles P-C4'-P energy: -33.130 tors. eta vs tors. theta energy: -48.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -572.343119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.343119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.343119 (E_RNA) where: Base-Base interactions energy: -329.664 where: short stacking energy: -167.712 Base-Backbone interact. energy: -0.996 local terms energy: -241.683558 where: bonds (distance) C4'-P energy: -67.955 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -464.291458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.291458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.291458 (E_RNA) where: Base-Base interactions energy: -239.990 where: short stacking energy: -107.665 Base-Backbone interact. energy: 2.852 local terms energy: -227.153187 where: bonds (distance) C4'-P energy: -61.283 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -58.233 flat angles P-C4'-P energy: -31.383 tors. eta vs tors. theta energy: -9.987 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: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -329.151459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.151459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.151459 (E_RNA) where: Base-Base interactions energy: -104.238 where: short stacking energy: -94.722 Base-Backbone interact. energy: -0.654 local terms energy: -224.260229 where: bonds (distance) C4'-P energy: -55.682 bonds (distance) P-C4' energy: -55.714 flat angles C4'-P-C4' energy: -64.013 flat angles P-C4'-P energy: -43.008 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1259.365037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.365037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.365037 (E_RNA) where: Base-Base interactions energy: -858.647 where: short stacking energy: -365.014 Base-Backbone interact. energy: 0.452 local terms energy: -401.170413 where: bonds (distance) C4'-P energy: -77.055 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -86.068 flat angles P-C4'-P energy: -56.456 tors. eta vs tors. theta energy: -115.278 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: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1179.556996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.556996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.556996 (E_RNA) where: Base-Base interactions energy: -788.912 where: short stacking energy: -349.863 Base-Backbone interact. energy: -2.142 local terms energy: -388.502518 where: bonds (distance) C4'-P energy: -73.934 bonds (distance) P-C4' energy: -83.291 flat angles C4'-P-C4' energy: -72.141 flat angles P-C4'-P energy: -53.696 tors. eta vs tors. theta energy: -105.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1100.118417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.118417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.118417 (E_RNA) where: Base-Base interactions energy: -713.234 where: short stacking energy: -297.807 Base-Backbone interact. energy: -2.410 local terms energy: -384.474166 where: bonds (distance) C4'-P energy: -75.001 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -99.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1085.035069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.035069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.035069 (E_RNA) where: Base-Base interactions energy: -743.035 where: short stacking energy: -318.965 Base-Backbone interact. energy: -2.931 local terms energy: -339.068892 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -71.512 flat angles C4'-P-C4' energy: -80.753 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -78.623 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: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1018.822293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.822293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.822293 (E_RNA) where: Base-Base interactions energy: -684.915 where: short stacking energy: -286.842 Base-Backbone interact. energy: -0.449 local terms energy: -333.458745 where: bonds (distance) C4'-P energy: -67.688 bonds (distance) P-C4' energy: -68.530 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -43.458 tors. eta vs tors. theta energy: -80.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -933.771465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.771465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.771465 (E_RNA) where: Base-Base interactions energy: -625.031 where: short stacking energy: -265.027 Base-Backbone interact. energy: 0.788 local terms energy: -309.528609 where: bonds (distance) C4'-P energy: -61.267 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -67.325 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -72.571 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: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -701.893276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.893276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.893276 (E_RNA) where: Base-Base interactions energy: -446.597 where: short stacking energy: -205.947 Base-Backbone interact. energy: -0.281 local terms energy: -255.014973 where: bonds (distance) C4'-P energy: -52.360 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -54.879 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: -39.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -535.014060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.014060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.014060 (E_RNA) where: Base-Base interactions energy: -309.482 where: short stacking energy: -151.023 Base-Backbone interact. energy: -1.547 local terms energy: -223.985189 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -63.619 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: -10.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -485.982543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.982543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.982543 (E_RNA) where: Base-Base interactions energy: -281.601 where: short stacking energy: -134.725 Base-Backbone interact. energy: -0.052 local terms energy: -204.329875 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -63.936 flat angles C4'-P-C4' energy: -37.533 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: 1.825 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: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -326.276630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.276630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.276630 (E_RNA) where: Base-Base interactions energy: -136.568 where: short stacking energy: -86.867 Base-Backbone interact. energy: -1.228 local terms energy: -188.481156 where: bonds (distance) C4'-P energy: -44.795 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: 1.269 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: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1258.013806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.013806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.013806 (E_RNA) where: Base-Base interactions energy: -854.912 where: short stacking energy: -364.214 Base-Backbone interact. energy: -2.366 local terms energy: -400.735188 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -82.989 flat angles C4'-P-C4' energy: -85.619 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -114.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1206.459524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.459524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.459524 (E_RNA) where: Base-Base interactions energy: -834.296 where: short stacking energy: -351.711 Base-Backbone interact. energy: -1.966 local terms energy: -370.197672 where: bonds (distance) C4'-P energy: -63.817 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -80.863 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -112.077 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: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1089.667680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.667680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.667680 (E_RNA) where: Base-Base interactions energy: -740.947 where: short stacking energy: -308.971 Base-Backbone interact. energy: 0.893 local terms energy: -349.613683 where: bonds (distance) C4'-P energy: -67.970 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -97.511 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: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1059.997870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.997870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.997870 (E_RNA) where: Base-Base interactions energy: -751.054 where: short stacking energy: -280.027 Base-Backbone interact. energy: -1.426 local terms energy: -307.518084 where: bonds (distance) C4'-P energy: -54.232 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -47.935 tors. eta vs tors. theta energy: -71.607 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: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -977.035594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.035594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.035594 (E_RNA) where: Base-Base interactions energy: -663.282 where: short stacking energy: -279.453 Base-Backbone interact. energy: -0.168 local terms energy: -313.586066 where: bonds (distance) C4'-P energy: -60.954 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -72.335 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -73.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -899.186579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.186579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.186579 (E_RNA) where: Base-Base interactions energy: -589.793 where: short stacking energy: -261.089 Base-Backbone interact. energy: 0.507 local terms energy: -309.900658 where: bonds (distance) C4'-P energy: -72.746 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -41.992 tors. eta vs tors. theta energy: -68.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -718.016887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.016887 (E_RNA) where: Base-Base interactions energy: -444.169 where: short stacking energy: -211.546 Base-Backbone interact. energy: -0.510 local terms energy: -273.337481 where: bonds (distance) C4'-P energy: -66.728 bonds (distance) P-C4' energy: -59.576 flat angles C4'-P-C4' energy: -68.994 flat angles P-C4'-P energy: -36.230 tors. eta vs tors. theta energy: -41.809 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: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -524.766175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.766175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.766175 (E_RNA) where: Base-Base interactions energy: -298.214 where: short stacking energy: -172.458 Base-Backbone interact. energy: -1.713 local terms energy: -224.838380 where: bonds (distance) C4'-P energy: -48.639 bonds (distance) P-C4' energy: -62.490 flat angles C4'-P-C4' energy: -44.851 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: -32.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -468.180109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.180109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.180109 (E_RNA) where: Base-Base interactions energy: -246.803 where: short stacking energy: -124.728 Base-Backbone interact. energy: 1.183 local terms energy: -222.560593 where: bonds (distance) C4'-P energy: -57.248 bonds (distance) P-C4' energy: -57.787 flat angles C4'-P-C4' energy: -60.714 flat angles P-C4'-P energy: -33.709 tors. eta vs tors. theta energy: -13.104 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: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -294.592001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.592001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.592001 (E_RNA) where: Base-Base interactions energy: -98.116 where: short stacking energy: -90.406 Base-Backbone interact. energy: 0.372 local terms energy: -196.847631 where: bonds (distance) C4'-P energy: -63.776 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -50.898 flat angles P-C4'-P energy: -29.281 tors. eta vs tors. theta energy: 3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1225.789460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.789460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.789460 (E_RNA) where: Base-Base interactions energy: -844.704 where: short stacking energy: -359.192 Base-Backbone interact. energy: -1.903 local terms energy: -379.181590 where: bonds (distance) C4'-P energy: -61.943 bonds (distance) P-C4' energy: -81.982 flat angles C4'-P-C4' energy: -81.216 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -100.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1225.875960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.875960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.875960 (E_RNA) where: Base-Base interactions energy: -846.815 where: short stacking energy: -371.130 Base-Backbone interact. energy: 4.412 local terms energy: -383.472340 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -73.625 flat angles C4'-P-C4' energy: -81.983 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -116.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1162.319208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.319208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.319208 (E_RNA) where: Base-Base interactions energy: -817.674 where: short stacking energy: -322.617 Base-Backbone interact. energy: 0.082 local terms energy: -344.726847 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -74.128 flat angles C4'-P-C4' energy: -69.777 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -84.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1093.553820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.553820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.553820 (E_RNA) where: Base-Base interactions energy: -723.860 where: short stacking energy: -308.538 Base-Backbone interact. energy: -2.839 local terms energy: -366.855052 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -50.088 tors. eta vs tors. theta energy: -92.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -973.203556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.203556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.203556 (E_RNA) where: Base-Base interactions energy: -643.010 where: short stacking energy: -279.711 Base-Backbone interact. energy: -0.341 local terms energy: -329.852215 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -63.849 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -50.837 tors. eta vs tors. theta energy: -85.624 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: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -927.912085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.912085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.912085 (E_RNA) where: Base-Base interactions energy: -600.294 where: short stacking energy: -275.320 Base-Backbone interact. energy: -2.409 local terms energy: -325.208980 where: bonds (distance) C4'-P energy: -69.013 bonds (distance) P-C4' energy: -63.080 flat angles C4'-P-C4' energy: -73.038 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -78.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -775.859780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.859780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.859780 (E_RNA) where: Base-Base interactions energy: -493.810 where: short stacking energy: -211.906 Base-Backbone interact. energy: -2.159 local terms energy: -279.890720 where: bonds (distance) C4'-P energy: -62.338 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -67.182 flat angles P-C4'-P energy: -42.641 tors. eta vs tors. theta energy: -49.366 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: 432 Temperature: 1.250000 Total energy: -532.654168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.654168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.654168 (E_RNA) where: Base-Base interactions energy: -272.188 where: short stacking energy: -131.669 Base-Backbone interact. energy: -0.789 local terms energy: -259.677724 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -69.266 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -43.398 tors. eta vs tors. theta energy: -18.077 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: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -520.000488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.000488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.000488 (E_RNA) where: Base-Base interactions energy: -304.253 where: short stacking energy: -140.931 Base-Backbone interact. energy: -0.408 local terms energy: -215.339527 where: bonds (distance) C4'-P energy: -67.350 bonds (distance) P-C4' energy: -50.100 flat angles C4'-P-C4' energy: -58.001 flat angles P-C4'-P energy: -27.543 tors. eta vs tors. theta energy: -12.346 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: 432 Temperature: 1.350000 Total energy: -302.300340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.300340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.300340 (E_RNA) where: Base-Base interactions energy: -89.812 where: short stacking energy: -80.008 Base-Backbone interact. energy: 1.702 local terms energy: -214.191136 where: bonds (distance) C4'-P energy: -52.407 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -67.200 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: 7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1222.543895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.543895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.543895 (E_RNA) where: Base-Base interactions energy: -830.170 where: short stacking energy: -350.169 Base-Backbone interact. energy: -1.099 local terms energy: -391.274560 where: bonds (distance) C4'-P energy: -72.136 bonds (distance) P-C4' energy: -75.401 flat angles C4'-P-C4' energy: -88.884 flat angles P-C4'-P energy: -47.336 tors. eta vs tors. theta energy: -107.517 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: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1216.561277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.561277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.561277 (E_RNA) where: Base-Base interactions energy: -827.161 where: short stacking energy: -353.761 Base-Backbone interact. energy: 0.401 local terms energy: -389.800770 where: bonds (distance) C4'-P energy: -73.935 bonds (distance) P-C4' energy: -79.486 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -109.706 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: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1175.672319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.672319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.672319 (E_RNA) where: Base-Base interactions energy: -823.442 where: short stacking energy: -326.881 Base-Backbone interact. energy: 0.612 local terms energy: -352.841908 where: bonds (distance) C4'-P energy: -68.560 bonds (distance) P-C4' energy: -74.088 flat angles C4'-P-C4' energy: -73.329 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -93.558 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: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1085.864059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.864059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.864059 (E_RNA) where: Base-Base interactions energy: -735.707 where: short stacking energy: -317.292 Base-Backbone interact. energy: 1.784 local terms energy: -351.940942 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -70.145 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -93.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -987.303638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.303638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.303638 (E_RNA) where: Base-Base interactions energy: -662.254 where: short stacking energy: -283.398 Base-Backbone interact. energy: -1.472 local terms energy: -323.577551 where: bonds (distance) C4'-P energy: -67.200 bonds (distance) P-C4' energy: -64.573 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -76.378 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: 433 Temperature: 1.150000 Total energy: -895.220752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.220752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.220752 (E_RNA) where: Base-Base interactions energy: -595.312 where: short stacking energy: -251.263 Base-Backbone interact. energy: 1.097 local terms energy: -301.006154 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -56.854 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -48.616 tors. eta vs tors. theta energy: -68.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -743.915588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.915588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.915588 (E_RNA) where: Base-Base interactions energy: -477.207 where: short stacking energy: -197.780 Base-Backbone interact. energy: 0.353 local terms energy: -267.061649 where: bonds (distance) C4'-P energy: -47.916 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -61.938 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: -49.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -549.853427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.853427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.853427 (E_RNA) where: Base-Base interactions energy: -308.432 where: short stacking energy: -148.947 Base-Backbone interact. energy: 0.179 local terms energy: -241.600153 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -65.698 flat angles C4'-P-C4' energy: -59.952 flat angles P-C4'-P energy: -27.413 tors. eta vs tors. theta energy: -25.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -479.147639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.147639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.147639 (E_RNA) where: Base-Base interactions energy: -245.433 where: short stacking energy: -125.011 Base-Backbone interact. energy: 0.100 local terms energy: -233.814531 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -71.234 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -21.655 tors. eta vs tors. theta energy: -13.453 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: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -318.454845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.454845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.454845 (E_RNA) where: Base-Base interactions energy: -133.798 where: short stacking energy: -101.143 Base-Backbone interact. energy: 3.814 local terms energy: -188.471027 where: bonds (distance) C4'-P energy: -51.543 bonds (distance) P-C4' energy: -68.777 flat angles C4'-P-C4' energy: -45.511 flat angles P-C4'-P energy: -28.526 tors. eta vs tors. theta energy: 5.886 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: 434 Temperature: 0.900000 Total energy: -1243.338469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.338469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.338469 (E_RNA) where: Base-Base interactions energy: -858.944 where: short stacking energy: -369.365 Base-Backbone interact. energy: -1.438 local terms energy: -382.956501 where: bonds (distance) C4'-P energy: -61.430 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -113.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1220.011623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.011623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.011623 (E_RNA) where: Base-Base interactions energy: -836.379 where: short stacking energy: -351.605 Base-Backbone interact. energy: -2.661 local terms energy: -380.971993 where: bonds (distance) C4'-P energy: -73.221 bonds (distance) P-C4' energy: -61.496 flat angles C4'-P-C4' energy: -82.597 flat angles P-C4'-P energy: -51.556 tors. eta vs tors. theta energy: -112.102 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: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1170.588173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.588173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.588173 (E_RNA) where: Base-Base interactions energy: -829.166 where: short stacking energy: -320.101 Base-Backbone interact. energy: -1.366 local terms energy: -340.056478 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -70.196 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -41.151 tors. eta vs tors. theta energy: -90.328 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1078.939717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.939717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.939717 (E_RNA) where: Base-Base interactions energy: -751.614 where: short stacking energy: -329.235 Base-Backbone interact. energy: -1.398 local terms energy: -325.927716 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -78.662 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -95.094 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: 434 Temperature: 1.100000 Total energy: -968.730490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.730490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.730490 (E_RNA) where: Base-Base interactions energy: -624.624 where: short stacking energy: -276.082 Base-Backbone interact. energy: -1.602 local terms energy: -342.504740 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -76.494 flat angles P-C4'-P energy: -50.440 tors. eta vs tors. theta energy: -69.342 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: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -928.479274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.479274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.479274 (E_RNA) where: Base-Base interactions energy: -605.384 where: short stacking energy: -247.270 Base-Backbone interact. energy: -1.701 local terms energy: -321.393970 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -71.735 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: -63.749 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: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -797.793677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.793677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.793677 (E_RNA) where: Base-Base interactions energy: -491.751 where: short stacking energy: -223.466 Base-Backbone interact. energy: -1.327 local terms energy: -304.715628 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -71.629 flat angles P-C4'-P energy: -35.039 tors. eta vs tors. theta energy: -58.821 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: 434 Temperature: 1.250000 Total energy: -568.693209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.693209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.693209 (E_RNA) where: Base-Base interactions energy: -319.420 where: short stacking energy: -161.573 Base-Backbone interact. energy: 2.729 local terms energy: -252.001889 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -54.076 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -26.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -479.086037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.086037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.086037 (E_RNA) where: Base-Base interactions energy: -236.388 where: short stacking energy: -135.655 Base-Backbone interact. energy: -0.192 local terms energy: -242.506339 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -73.729 flat angles C4'-P-C4' energy: -51.991 flat angles P-C4'-P energy: -44.384 tors. eta vs tors. theta energy: -9.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -294.388497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.388497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.388497 (E_RNA) where: Base-Base interactions energy: -105.778 where: short stacking energy: -67.594 Base-Backbone interact. energy: -2.432 local terms energy: -186.178220 where: bonds (distance) C4'-P energy: -57.743 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -51.720 flat angles P-C4'-P energy: -23.378 tors. eta vs tors. theta energy: 11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1242.080169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.080169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.080169 (E_RNA) where: Base-Base interactions energy: -863.311 where: short stacking energy: -365.226 Base-Backbone interact. energy: -0.909 local terms energy: -377.859697 where: bonds (distance) C4'-P energy: -58.301 bonds (distance) P-C4' energy: -75.047 flat angles C4'-P-C4' energy: -81.781 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -111.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1216.945729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.945729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.945729 (E_RNA) where: Base-Base interactions energy: -859.691 where: short stacking energy: -322.312 Base-Backbone interact. energy: 0.050 local terms energy: -357.304807 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -93.546 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: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1195.434143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.434143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.434143 (E_RNA) where: Base-Base interactions energy: -831.584 where: short stacking energy: -353.079 Base-Backbone interact. energy: -1.569 local terms energy: -362.281807 where: bonds (distance) C4'-P energy: -61.179 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -85.324 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -102.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1065.474067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.474067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.474067 (E_RNA) where: Base-Base interactions energy: -719.851 where: short stacking energy: -313.232 Base-Backbone interact. energy: -0.701 local terms energy: -344.921747 where: bonds (distance) C4'-P energy: -64.599 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -47.778 tors. eta vs tors. theta energy: -89.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1019.231567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.231567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.231567 (E_RNA) where: Base-Base interactions energy: -678.030 where: short stacking energy: -292.815 Base-Backbone interact. energy: -0.186 local terms energy: -341.015820 where: bonds (distance) C4'-P energy: -76.915 bonds (distance) P-C4' energy: -69.358 flat angles C4'-P-C4' energy: -72.518 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -83.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -964.748819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.748819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.748819 (E_RNA) where: Base-Base interactions energy: -645.345 where: short stacking energy: -271.399 Base-Backbone interact. energy: -0.454 local terms energy: -318.950297 where: bonds (distance) C4'-P energy: -65.685 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -65.467 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -76.470 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: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -788.700317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.700317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.700317 (E_RNA) where: Base-Base interactions energy: -516.040 where: short stacking energy: -219.854 Base-Backbone interact. energy: 3.664 local terms energy: -276.323823 where: bonds (distance) C4'-P energy: -60.685 bonds (distance) P-C4' energy: -52.887 flat angles C4'-P-C4' energy: -69.006 flat angles P-C4'-P energy: -38.302 tors. eta vs tors. theta energy: -55.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -555.974521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.974521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.974521 (E_RNA) where: Base-Base interactions energy: -314.777 where: short stacking energy: -170.540 Base-Backbone interact. energy: -0.753 local terms energy: -240.445256 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -65.088 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: -26.956 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: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -483.744425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.744425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.744425 (E_RNA) where: Base-Base interactions energy: -250.020 where: short stacking energy: -134.421 Base-Backbone interact. energy: -1.266 local terms energy: -232.457808 where: bonds (distance) C4'-P energy: -60.614 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -64.075 flat angles P-C4'-P energy: -27.395 tors. eta vs tors. theta energy: -14.025 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: 435 Temperature: 1.350000 Total energy: -313.310276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.310276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.310276 (E_RNA) where: Base-Base interactions energy: -137.035 where: short stacking energy: -75.125 Base-Backbone interact. energy: 0.879 local terms energy: -177.154945 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -72.428 flat angles C4'-P-C4' energy: -50.452 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: 4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1252.280829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.280829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.280829 (E_RNA) where: Base-Base interactions energy: -854.188 where: short stacking energy: -365.601 Base-Backbone interact. energy: 1.676 local terms energy: -399.768458 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -78.050 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -118.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1185.857463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.857463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.857463 (E_RNA) where: Base-Base interactions energy: -833.880 where: short stacking energy: -309.026 Base-Backbone interact. energy: -0.219 local terms energy: -351.758511 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -55.929 tors. eta vs tors. theta energy: -87.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1194.738560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.738560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.738560 (E_RNA) where: Base-Base interactions energy: -828.681 where: short stacking energy: -349.008 Base-Backbone interact. energy: 1.068 local terms energy: -367.125670 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -74.369 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -98.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1081.410167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.410167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.410167 (E_RNA) where: Base-Base interactions energy: -719.875 where: short stacking energy: -320.240 Base-Backbone interact. energy: -1.471 local terms energy: -360.064334 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -67.161 flat angles C4'-P-C4' energy: -77.828 flat angles P-C4'-P energy: -56.748 tors. eta vs tors. theta energy: -97.966 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: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1007.328914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.328914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.328914 (E_RNA) where: Base-Base interactions energy: -665.163 where: short stacking energy: -276.182 Base-Backbone interact. energy: -0.453 local terms energy: -341.712448 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -66.541 flat angles C4'-P-C4' energy: -76.806 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: -77.957 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: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -944.844305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.844305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.844305 (E_RNA) where: Base-Base interactions energy: -617.450 where: short stacking energy: -261.764 Base-Backbone interact. energy: -0.278 local terms energy: -327.115755 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -78.269 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: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -795.171702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.171702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.171702 (E_RNA) where: Base-Base interactions energy: -522.829 where: short stacking energy: -248.466 Base-Backbone interact. energy: -2.547 local terms energy: -269.795333 where: bonds (distance) C4'-P energy: -56.545 bonds (distance) P-C4' energy: -53.592 flat angles C4'-P-C4' energy: -54.881 flat angles P-C4'-P energy: -48.459 tors. eta vs tors. theta energy: -56.319 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: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -605.114640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.114640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.114640 (E_RNA) where: Base-Base interactions energy: -340.438 where: short stacking energy: -156.951 Base-Backbone interact. energy: -0.447 local terms energy: -264.230284 where: bonds (distance) C4'-P energy: -64.244 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -59.783 flat angles P-C4'-P energy: -31.652 tors. eta vs tors. theta energy: -36.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -455.723128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.723128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.723128 (E_RNA) where: Base-Base interactions energy: -257.113 where: short stacking energy: -137.715 Base-Backbone interact. energy: 4.306 local terms energy: -202.917048 where: bonds (distance) C4'-P energy: -61.521 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -58.500 flat angles P-C4'-P energy: -15.995 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -333.639594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.639594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.639594 (E_RNA) where: Base-Base interactions energy: -109.061 where: short stacking energy: -82.607 Base-Backbone interact. energy: 1.695 local terms energy: -226.273890 where: bonds (distance) C4'-P energy: -66.249 bonds (distance) P-C4' energy: -67.178 flat angles C4'-P-C4' energy: -54.151 flat angles P-C4'-P energy: -39.974 tors. eta vs tors. theta energy: 1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1241.986989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.986989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.986989 (E_RNA) where: Base-Base interactions energy: -851.034 where: short stacking energy: -347.929 Base-Backbone interact. energy: -0.302 local terms energy: -390.651318 where: bonds (distance) C4'-P energy: -72.021 bonds (distance) P-C4' energy: -77.281 flat angles C4'-P-C4' energy: -68.382 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -115.862 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: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1203.306275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.306275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.306275 (E_RNA) where: Base-Base interactions energy: -828.804 where: short stacking energy: -354.248 Base-Backbone interact. energy: 0.518 local terms energy: -375.021047 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -85.037 flat angles P-C4'-P energy: -49.877 tors. eta vs tors. theta energy: -103.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1161.201453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.201453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.201453 (E_RNA) where: Base-Base interactions energy: -805.247 where: short stacking energy: -319.328 Base-Backbone interact. energy: -1.940 local terms energy: -354.014959 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -75.096 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: -89.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1066.324327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.324327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.324327 (E_RNA) where: Base-Base interactions energy: -709.980 where: short stacking energy: -302.755 Base-Backbone interact. energy: -1.809 local terms energy: -354.535075 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -84.300 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -95.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -967.955240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.955240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.955240 (E_RNA) where: Base-Base interactions energy: -640.327 where: short stacking energy: -263.150 Base-Backbone interact. energy: -1.235 local terms energy: -326.393231 where: bonds (distance) C4'-P energy: -59.551 bonds (distance) P-C4' energy: -74.720 flat angles C4'-P-C4' energy: -68.871 flat angles P-C4'-P energy: -49.803 tors. eta vs tors. theta energy: -73.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -933.753947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.753947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.753947 (E_RNA) where: Base-Base interactions energy: -626.442 where: short stacking energy: -268.466 Base-Backbone interact. energy: 2.958 local terms energy: -310.270169 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -71.315 flat angles P-C4'-P energy: -38.591 tors. eta vs tors. theta energy: -70.954 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: 437 Temperature: 1.200000 Total energy: -756.015190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.015190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.015190 (E_RNA) where: Base-Base interactions energy: -474.342 where: short stacking energy: -198.744 Base-Backbone interact. energy: -2.298 local terms energy: -279.374773 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -73.618 flat angles C4'-P-C4' energy: -66.450 flat angles P-C4'-P energy: -34.908 tors. eta vs tors. theta energy: -42.771 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: 437 Temperature: 1.250000 Total energy: -543.009022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.009022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.009022 (E_RNA) where: Base-Base interactions energy: -295.823 where: short stacking energy: -135.428 Base-Backbone interact. energy: -0.764 local terms energy: -246.422339 where: bonds (distance) C4'-P energy: -61.542 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -58.772 flat angles P-C4'-P energy: -31.679 tors. eta vs tors. theta energy: -9.966 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: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -483.423290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.423290 (E_RNA) where: Base-Base interactions energy: -246.998 where: short stacking energy: -138.736 Base-Backbone interact. energy: -0.611 local terms energy: -235.814252 where: bonds (distance) C4'-P energy: -50.647 bonds (distance) P-C4' energy: -67.427 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -23.728 tors. eta vs tors. theta energy: -20.278 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: 437 Temperature: 1.350000 Total energy: -299.327962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.327962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.327962 (E_RNA) where: Base-Base interactions energy: -115.803 where: short stacking energy: -83.335 Base-Backbone interact. energy: 5.137 local terms energy: -188.661550 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -62.266 flat angles C4'-P-C4' energy: -59.475 flat angles P-C4'-P energy: -34.822 tors. eta vs tors. theta energy: 16.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1260.386038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.386038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.386038 (E_RNA) where: Base-Base interactions energy: -880.372 where: short stacking energy: -368.213 Base-Backbone interact. energy: -0.198 local terms energy: -379.815535 where: bonds (distance) C4'-P energy: -66.715 bonds (distance) P-C4' energy: -64.312 flat angles C4'-P-C4' energy: -88.723 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -118.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1197.399574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.399574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.399574 (E_RNA) where: Base-Base interactions energy: -823.479 where: short stacking energy: -334.526 Base-Backbone interact. energy: -2.802 local terms energy: -371.118267 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -75.376 flat angles C4'-P-C4' energy: -78.143 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -102.135 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: 438 Temperature: 1.000000 Total energy: -1151.570801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.570801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.570801 (E_RNA) where: Base-Base interactions energy: -781.854 where: short stacking energy: -328.686 Base-Backbone interact. energy: -0.139 local terms energy: -369.577342 where: bonds (distance) C4'-P energy: -70.004 bonds (distance) P-C4' energy: -77.842 flat angles C4'-P-C4' energy: -82.452 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: -92.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1086.736261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.736261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.736261 (E_RNA) where: Base-Base interactions energy: -738.388 where: short stacking energy: -334.430 Base-Backbone interact. energy: 1.035 local terms energy: -349.383166 where: bonds (distance) C4'-P energy: -59.103 bonds (distance) P-C4' energy: -64.122 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -108.094 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: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -989.448993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.448993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.448993 (E_RNA) where: Base-Base interactions energy: -656.668 where: short stacking energy: -301.083 Base-Backbone interact. energy: 2.883 local terms energy: -335.663871 where: bonds (distance) C4'-P energy: -62.015 bonds (distance) P-C4' energy: -74.540 flat angles C4'-P-C4' energy: -66.670 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -87.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -933.938629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.938629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.938629 (E_RNA) where: Base-Base interactions energy: -627.518 where: short stacking energy: -267.542 Base-Backbone interact. energy: -1.174 local terms energy: -305.246988 where: bonds (distance) C4'-P energy: -61.556 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -67.175 flat angles P-C4'-P energy: -45.493 tors. eta vs tors. theta energy: -65.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -765.047988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.047988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.047988 (E_RNA) where: Base-Base interactions energy: -487.641 where: short stacking energy: -229.118 Base-Backbone interact. energy: 0.133 local terms energy: -277.539677 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -57.363 flat angles C4'-P-C4' energy: -62.538 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -57.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -545.038457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.038457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.038457 (E_RNA) where: Base-Base interactions energy: -324.245 where: short stacking energy: -169.022 Base-Backbone interact. energy: 0.499 local terms energy: -221.292436 where: bonds (distance) C4'-P energy: -53.617 bonds (distance) P-C4' energy: -57.872 flat angles C4'-P-C4' energy: -56.174 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: -17.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -471.015344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.015344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.015344 (E_RNA) where: Base-Base interactions energy: -262.886 where: short stacking energy: -132.117 Base-Backbone interact. energy: -2.094 local terms energy: -206.035552 where: bonds (distance) C4'-P energy: -50.826 bonds (distance) P-C4' energy: -50.163 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -31.480 tors. eta vs tors. theta energy: -5.325 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: 10, replica: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -279.994669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.994669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.994669 (E_RNA) where: Base-Base interactions energy: -99.841 where: short stacking energy: -75.952 Base-Backbone interact. energy: -2.001 local terms energy: -178.153399 where: bonds (distance) C4'-P energy: -51.462 bonds (distance) P-C4' energy: -70.244 flat angles C4'-P-C4' energy: -42.511 flat angles P-C4'-P energy: -31.640 tors. eta vs tors. theta energy: 17.703 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: 439 Temperature: 0.900000 Total energy: -1234.856449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.856449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.856449 (E_RNA) where: Base-Base interactions energy: -849.908 where: short stacking energy: -370.726 Base-Backbone interact. energy: -0.336 local terms energy: -384.612218 where: bonds (distance) C4'-P energy: -60.032 bonds (distance) P-C4' energy: -75.888 flat angles C4'-P-C4' energy: -82.384 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -110.894 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: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1201.108929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.108929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.108929 (E_RNA) where: Base-Base interactions energy: -820.179 where: short stacking energy: -319.084 Base-Backbone interact. energy: -1.247 local terms energy: -379.682993 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -75.643 flat angles P-C4'-P energy: -55.365 tors. eta vs tors. theta energy: -99.120 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: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1161.196190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.196190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.196190 (E_RNA) where: Base-Base interactions energy: -800.998 where: short stacking energy: -311.335 Base-Backbone interact. energy: -1.930 local terms energy: -358.268313 where: bonds (distance) C4'-P energy: -68.452 bonds (distance) P-C4' energy: -75.103 flat angles C4'-P-C4' energy: -76.580 flat angles P-C4'-P energy: -51.737 tors. eta vs tors. theta energy: -86.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1059.606583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.606583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.606583 (E_RNA) where: Base-Base interactions energy: -699.362 where: short stacking energy: -307.134 Base-Backbone interact. energy: 4.281 local terms energy: -364.525805 where: bonds (distance) C4'-P energy: -59.619 bonds (distance) P-C4' energy: -68.310 flat angles C4'-P-C4' energy: -79.650 flat angles P-C4'-P energy: -52.307 tors. eta vs tors. theta energy: -104.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1010.610282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.610282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.610282 (E_RNA) where: Base-Base interactions energy: -664.013 where: short stacking energy: -294.094 Base-Backbone interact. energy: -1.788 local terms energy: -344.809229 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -69.401 flat angles P-C4'-P energy: -56.942 tors. eta vs tors. theta energy: -83.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -952.117609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.117609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.117609 (E_RNA) where: Base-Base interactions energy: -643.659 where: short stacking energy: -275.762 Base-Backbone interact. energy: -1.452 local terms energy: -307.007001 where: bonds (distance) C4'-P energy: -71.522 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -72.534 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: -61.532 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: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -809.712420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.712420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.712420 (E_RNA) where: Base-Base interactions energy: -517.329 where: short stacking energy: -211.319 Base-Backbone interact. energy: -0.038 local terms energy: -292.345295 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -63.726 flat angles P-C4'-P energy: -36.055 tors. eta vs tors. theta energy: -62.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -579.532117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.532117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.532117 (E_RNA) where: Base-Base interactions energy: -348.102 where: short stacking energy: -169.594 Base-Backbone interact. energy: -3.025 local terms energy: -228.405261 where: bonds (distance) C4'-P energy: -54.545 bonds (distance) P-C4' energy: -63.877 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -34.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -457.420550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.420550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.420550 (E_RNA) where: Base-Base interactions energy: -219.340 where: short stacking energy: -118.903 Base-Backbone interact. energy: -1.726 local terms energy: -236.354795 where: bonds (distance) C4'-P energy: -56.373 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -56.040 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -7.318 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: 439 Temperature: 1.350000 Total energy: -298.498321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.498321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.498321 (E_RNA) where: Base-Base interactions energy: -88.921 where: short stacking energy: -80.211 Base-Backbone interact. energy: -0.512 local terms energy: -209.065577 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -44.367 flat angles P-C4'-P energy: -23.604 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1249.443210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.443210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.443210 (E_RNA) where: Base-Base interactions energy: -858.040 where: short stacking energy: -366.955 Base-Backbone interact. energy: 0.996 local terms energy: -392.399400 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -80.712 flat angles P-C4'-P energy: -58.612 tors. eta vs tors. theta energy: -113.773 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: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1225.089531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.089531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.089531 (E_RNA) where: Base-Base interactions energy: -848.360 where: short stacking energy: -345.872 Base-Backbone interact. energy: -0.233 local terms energy: -376.495819 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -68.834 flat angles C4'-P-C4' energy: -84.638 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -100.965 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: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1129.360877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.360877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.360877 (E_RNA) where: Base-Base interactions energy: -779.865 where: short stacking energy: -278.596 Base-Backbone interact. energy: -1.335 local terms energy: -348.161098 where: bonds (distance) C4'-P energy: -74.259 bonds (distance) P-C4' energy: -67.386 flat angles C4'-P-C4' energy: -76.009 flat angles P-C4'-P energy: -54.562 tors. eta vs tors. theta energy: -75.945 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: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1061.364679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.364679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.364679 (E_RNA) where: Base-Base interactions energy: -712.460 where: short stacking energy: -314.297 Base-Backbone interact. energy: -1.267 local terms energy: -347.638441 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -63.696 flat angles C4'-P-C4' energy: -80.433 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -95.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1055.235123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.235123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.235123 (E_RNA) where: Base-Base interactions energy: -715.426 where: short stacking energy: -331.030 Base-Backbone interact. energy: -0.318 local terms energy: -339.491079 where: bonds (distance) C4'-P energy: -69.064 bonds (distance) P-C4' energy: -60.356 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: -95.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -927.018603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.018603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.018603 (E_RNA) where: Base-Base interactions energy: -607.118 where: short stacking energy: -261.394 Base-Backbone interact. energy: -0.837 local terms energy: -319.064098 where: bonds (distance) C4'-P energy: -71.656 bonds (distance) P-C4' energy: -53.399 flat angles C4'-P-C4' energy: -63.603 flat angles P-C4'-P energy: -55.834 tors. eta vs tors. theta energy: -74.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -801.505682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.505682 (E_RNA) where: Base-Base interactions energy: -504.234 where: short stacking energy: -238.990 Base-Backbone interact. energy: -0.897 local terms energy: -296.374807 where: bonds (distance) C4'-P energy: -60.957 bonds (distance) P-C4' energy: -72.228 flat angles C4'-P-C4' energy: -62.470 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: -60.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -561.848509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.848509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.848509 (E_RNA) where: Base-Base interactions energy: -300.151 where: short stacking energy: -149.578 Base-Backbone interact. energy: -1.055 local terms energy: -260.643058 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -50.842 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -29.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -486.715405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.715405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.715405 (E_RNA) where: Base-Base interactions energy: -259.318 where: short stacking energy: -149.145 Base-Backbone interact. energy: -1.073 local terms energy: -226.324241 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -46.427 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -13.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -314.871094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.871094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.871094 (E_RNA) where: Base-Base interactions energy: -103.730 where: short stacking energy: -77.013 Base-Backbone interact. energy: 1.807 local terms energy: -212.948095 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -47.065 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1246.221685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.221685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.221685 (E_RNA) where: Base-Base interactions energy: -847.237 where: short stacking energy: -354.150 Base-Backbone interact. energy: 0.347 local terms energy: -399.332022 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -76.365 flat angles C4'-P-C4' energy: -84.426 flat angles P-C4'-P energy: -55.352 tors. eta vs tors. theta energy: -113.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1223.052633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.052633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.052633 (E_RNA) where: Base-Base interactions energy: -869.399 where: short stacking energy: -337.823 Base-Backbone interact. energy: 1.444 local terms energy: -355.097724 where: bonds (distance) C4'-P energy: -56.298 bonds (distance) P-C4' energy: -71.742 flat angles C4'-P-C4' energy: -78.150 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -103.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1156.655241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.655241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.655241 (E_RNA) where: Base-Base interactions energy: -818.932 where: short stacking energy: -321.920 Base-Backbone interact. energy: -1.864 local terms energy: -335.859132 where: bonds (distance) C4'-P energy: -68.378 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -86.480 flat angles P-C4'-P energy: -41.286 tors. eta vs tors. theta energy: -78.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1042.996153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.996153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.996153 (E_RNA) where: Base-Base interactions energy: -709.500 where: short stacking energy: -304.016 Base-Backbone interact. energy: -2.778 local terms energy: -330.718212 where: bonds (distance) C4'-P energy: -75.042 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -64.727 flat angles P-C4'-P energy: -44.045 tors. eta vs tors. theta energy: -90.004 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: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1043.755380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.755380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.755380 (E_RNA) where: Base-Base interactions energy: -689.790 where: short stacking energy: -308.510 Base-Backbone interact. energy: -0.857 local terms energy: -353.108803 where: bonds (distance) C4'-P energy: -64.303 bonds (distance) P-C4' energy: -61.447 flat angles C4'-P-C4' energy: -80.071 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: -91.846 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: 441 Temperature: 1.150000 Total energy: -932.303381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.303381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.303381 (E_RNA) where: Base-Base interactions energy: -627.661 where: short stacking energy: -267.792 Base-Backbone interact. energy: 1.279 local terms energy: -305.922007 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -39.276 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: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -777.280914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.280914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.280914 (E_RNA) where: Base-Base interactions energy: -506.825 where: short stacking energy: -241.886 Base-Backbone interact. energy: 0.408 local terms energy: -270.863641 where: bonds (distance) C4'-P energy: -41.829 bonds (distance) P-C4' energy: -70.696 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -50.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -562.411431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.411431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.411431 (E_RNA) where: Base-Base interactions energy: -319.753 where: short stacking energy: -152.430 Base-Backbone interact. energy: -1.547 local terms energy: -241.112060 where: bonds (distance) C4'-P energy: -58.563 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -58.572 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -28.041 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: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -472.075244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.075244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.075244 (E_RNA) where: Base-Base interactions energy: -250.744 where: short stacking energy: -149.571 Base-Backbone interact. energy: -2.785 local terms energy: -218.545379 where: bonds (distance) C4'-P energy: -45.905 bonds (distance) P-C4' energy: -68.101 flat angles C4'-P-C4' energy: -64.364 flat angles P-C4'-P energy: -21.716 tors. eta vs tors. theta energy: -18.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -298.026588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.026588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.026588 (E_RNA) where: Base-Base interactions energy: -97.987 where: short stacking energy: -76.013 Base-Backbone interact. energy: 0.719 local terms energy: -200.758686 where: bonds (distance) C4'-P energy: -55.725 bonds (distance) P-C4' energy: -60.494 flat angles C4'-P-C4' energy: -64.412 flat angles P-C4'-P energy: -32.575 tors. eta vs tors. theta energy: 12.446 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: 442 Temperature: 0.900000 Total energy: -1236.068715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.068715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.068715 (E_RNA) where: Base-Base interactions energy: -856.444 where: short stacking energy: -367.133 Base-Backbone interact. energy: -0.634 local terms energy: -378.991159 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -82.515 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: -108.543 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: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1230.198607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.198607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.198607 (E_RNA) where: Base-Base interactions energy: -850.762 where: short stacking energy: -372.513 Base-Backbone interact. energy: 7.087 local terms energy: -386.523961 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -66.305 flat angles C4'-P-C4' energy: -78.208 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -105.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1161.619453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.619453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.619453 (E_RNA) where: Base-Base interactions energy: -798.728 where: short stacking energy: -342.275 Base-Backbone interact. energy: -3.013 local terms energy: -359.878437 where: bonds (distance) C4'-P energy: -70.419 bonds (distance) P-C4' energy: -72.708 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -45.228 tors. eta vs tors. theta energy: -92.921 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: 442 Temperature: 1.050000 Total energy: -1068.079654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.079654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.079654 (E_RNA) where: Base-Base interactions energy: -725.227 where: short stacking energy: -301.752 Base-Backbone interact. energy: -1.138 local terms energy: -341.714395 where: bonds (distance) C4'-P energy: -72.612 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -58.701 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -96.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -989.869761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.869761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.869761 (E_RNA) where: Base-Base interactions energy: -662.424 where: short stacking energy: -287.006 Base-Backbone interact. energy: -0.913 local terms energy: -326.532872 where: bonds (distance) C4'-P energy: -56.014 bonds (distance) P-C4' energy: -63.338 flat angles C4'-P-C4' energy: -73.976 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -84.394 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -999.224550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.224550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.224550 (E_RNA) where: Base-Base interactions energy: -659.910 where: short stacking energy: -285.192 Base-Backbone interact. energy: 2.276 local terms energy: -341.591207 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -75.508 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -802.000886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.000886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.000886 (E_RNA) where: Base-Base interactions energy: -555.549 where: short stacking energy: -239.569 Base-Backbone interact. energy: 3.213 local terms energy: -249.664104 where: bonds (distance) C4'-P energy: -53.230 bonds (distance) P-C4' energy: -57.308 flat angles C4'-P-C4' energy: -51.752 flat angles P-C4'-P energy: -39.846 tors. eta vs tors. theta energy: -47.529 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: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -559.226159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.226159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.226159 (E_RNA) where: Base-Base interactions energy: -323.787 where: short stacking energy: -178.675 Base-Backbone interact. energy: -1.562 local terms energy: -233.877232 where: bonds (distance) C4'-P energy: -61.505 bonds (distance) P-C4' energy: -56.437 flat angles C4'-P-C4' energy: -55.499 flat angles P-C4'-P energy: -25.796 tors. eta vs tors. theta energy: -34.640 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: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -457.329927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.329927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.329927 (E_RNA) where: Base-Base interactions energy: -247.289 where: short stacking energy: -139.110 Base-Backbone interact. energy: -1.046 local terms energy: -208.995281 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -55.755 flat angles C4'-P-C4' energy: -50.243 flat angles P-C4'-P energy: -33.334 tors. eta vs tors. theta energy: -10.766 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: 442 Temperature: 1.350000 Total energy: -306.253772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.253772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.253772 (E_RNA) where: Base-Base interactions energy: -86.198 where: short stacking energy: -74.283 Base-Backbone interact. energy: 0.923 local terms energy: -220.979204 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -76.130 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -38.770 tors. eta vs tors. theta energy: 12.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1256.270217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.270217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.270217 (E_RNA) where: Base-Base interactions energy: -857.597 where: short stacking energy: -353.016 Base-Backbone interact. energy: -2.440 local terms energy: -396.233034 where: bonds (distance) C4'-P energy: -79.418 bonds (distance) P-C4' energy: -65.573 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -111.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1212.767533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.767533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.767533 (E_RNA) where: Base-Base interactions energy: -833.599 where: short stacking energy: -328.706 Base-Backbone interact. energy: -1.966 local terms energy: -377.202519 where: bonds (distance) C4'-P energy: -72.787 bonds (distance) P-C4' energy: -64.764 flat angles C4'-P-C4' energy: -81.514 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -107.256 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: 5 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1145.863824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.863824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.863824 (E_RNA) where: Base-Base interactions energy: -812.505 where: short stacking energy: -316.540 Base-Backbone interact. energy: 2.857 local terms energy: -336.215517 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -85.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1041.648989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.648989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.648989 (E_RNA) where: Base-Base interactions energy: -675.912 where: short stacking energy: -308.919 Base-Backbone interact. energy: -3.407 local terms energy: -362.330629 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -66.468 flat angles C4'-P-C4' energy: -77.138 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -93.385 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: 443 Temperature: 1.100000 Total energy: -1003.120994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.120994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.120994 (E_RNA) where: Base-Base interactions energy: -658.937 where: short stacking energy: -296.707 Base-Backbone interact. energy: -0.411 local terms energy: -343.772419 where: bonds (distance) C4'-P energy: -61.929 bonds (distance) P-C4' energy: -62.752 flat angles C4'-P-C4' energy: -79.006 flat angles P-C4'-P energy: -50.839 tors. eta vs tors. theta energy: -89.246 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: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1010.148192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.148192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.148192 (E_RNA) where: Base-Base interactions energy: -665.884 where: short stacking energy: -277.522 Base-Backbone interact. energy: -0.839 local terms energy: -343.425041 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -68.470 flat angles C4'-P-C4' energy: -70.886 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -92.728 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: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -794.903505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.903505 (E_RNA) where: Base-Base interactions energy: -516.277 where: short stacking energy: -223.816 Base-Backbone interact. energy: 0.042 local terms energy: -278.668813 where: bonds (distance) C4'-P energy: -60.094 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -55.688 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -52.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -560.462609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.462609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.462609 (E_RNA) where: Base-Base interactions energy: -315.980 where: short stacking energy: -158.089 Base-Backbone interact. energy: -0.725 local terms energy: -243.757533 where: bonds (distance) C4'-P energy: -73.930 bonds (distance) P-C4' energy: -43.091 flat angles C4'-P-C4' energy: -54.345 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -33.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -496.208059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.208059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.208059 (E_RNA) where: Base-Base interactions energy: -264.485 where: short stacking energy: -147.578 Base-Backbone interact. energy: -0.970 local terms energy: -230.752584 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -56.106 flat angles P-C4'-P energy: -23.590 tors. eta vs tors. theta energy: -24.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -344.809352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.809352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.809352 (E_RNA) where: Base-Base interactions energy: -137.737 where: short stacking energy: -104.046 Base-Backbone interact. energy: -1.042 local terms energy: -206.030178 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -29.183 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1259.247774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.247774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.247774 (E_RNA) where: Base-Base interactions energy: -868.416 where: short stacking energy: -367.571 Base-Backbone interact. energy: -0.486 local terms energy: -390.346106 where: bonds (distance) C4'-P energy: -76.897 bonds (distance) P-C4' energy: -71.314 flat angles C4'-P-C4' energy: -86.183 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -100.868 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: 444 Temperature: 0.950000 Total energy: -1218.634689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.634689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.634689 (E_RNA) where: Base-Base interactions energy: -840.042 where: short stacking energy: -349.151 Base-Backbone interact. energy: -1.429 local terms energy: -377.162995 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -68.202 flat angles C4'-P-C4' energy: -79.852 flat angles P-C4'-P energy: -52.848 tors. eta vs tors. theta energy: -110.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1158.837131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.837131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.837131 (E_RNA) where: Base-Base interactions energy: -805.993 where: short stacking energy: -327.252 Base-Backbone interact. energy: -3.153 local terms energy: -349.690684 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -71.514 flat angles C4'-P-C4' energy: -70.843 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -84.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1018.029051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.029051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.029051 (E_RNA) where: Base-Base interactions energy: -674.812 where: short stacking energy: -296.243 Base-Backbone interact. energy: -2.945 local terms energy: -340.271614 where: bonds (distance) C4'-P energy: -66.229 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -76.863 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -88.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -998.837935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.837935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.837935 (E_RNA) where: Base-Base interactions energy: -657.065 where: short stacking energy: -295.783 Base-Backbone interact. energy: -2.404 local terms energy: -339.368900 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -66.342 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: -91.772 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: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -977.195143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.195143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.195143 (E_RNA) where: Base-Base interactions energy: -641.689 where: short stacking energy: -288.543 Base-Backbone interact. energy: 0.706 local terms energy: -336.211680 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -71.311 flat angles P-C4'-P energy: -55.770 tors. eta vs tors. theta energy: -85.521 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: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -847.396095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.396095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.396095 (E_RNA) where: Base-Base interactions energy: -565.619 where: short stacking energy: -246.179 Base-Backbone interact. energy: -0.900 local terms energy: -280.876627 where: bonds (distance) C4'-P energy: -50.331 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -63.598 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: -64.852 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: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -596.026848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.026848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.026848 (E_RNA) where: Base-Base interactions energy: -327.083 where: short stacking energy: -161.698 Base-Backbone interact. energy: 2.277 local terms energy: -271.220107 where: bonds (distance) C4'-P energy: -59.471 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -75.579 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -30.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -494.766416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.766416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.766416 (E_RNA) where: Base-Base interactions energy: -263.346 where: short stacking energy: -129.852 Base-Backbone interact. energy: -1.089 local terms energy: -230.331996 where: bonds (distance) C4'-P energy: -70.102 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -54.162 flat angles P-C4'-P energy: -37.879 tors. eta vs tors. theta energy: -4.832 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: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -301.090285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.090285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.090285 (E_RNA) where: Base-Base interactions energy: -106.355 where: short stacking energy: -87.735 Base-Backbone interact. energy: -1.997 local terms energy: -192.738651 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -62.110 flat angles C4'-P-C4' energy: -58.665 flat angles P-C4'-P energy: -13.427 tors. eta vs tors. theta energy: 5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1258.507707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.507707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.507707 (E_RNA) where: Base-Base interactions energy: -891.804 where: short stacking energy: -355.242 Base-Backbone interact. energy: 1.387 local terms energy: -368.090547 where: bonds (distance) C4'-P energy: -68.969 bonds (distance) P-C4' energy: -74.074 flat angles C4'-P-C4' energy: -74.922 flat angles P-C4'-P energy: -47.107 tors. eta vs tors. theta energy: -103.019 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: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1223.138992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.138992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.138992 (E_RNA) where: Base-Base interactions energy: -843.432 where: short stacking energy: -352.425 Base-Backbone interact. energy: -2.886 local terms energy: -376.821338 where: bonds (distance) C4'-P energy: -66.408 bonds (distance) P-C4' energy: -80.057 flat angles C4'-P-C4' energy: -80.262 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: -105.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1170.310052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.310052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.310052 (E_RNA) where: Base-Base interactions energy: -818.002 where: short stacking energy: -312.233 Base-Backbone interact. energy: -0.802 local terms energy: -351.506213 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -67.892 flat angles C4'-P-C4' energy: -76.066 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -88.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1044.375162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.375162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.375162 (E_RNA) where: Base-Base interactions energy: -693.929 where: short stacking energy: -299.770 Base-Backbone interact. energy: -2.501 local terms energy: -347.944623 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -73.221 flat angles C4'-P-C4' energy: -73.309 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -86.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1053.399662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.399662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.399662 (E_RNA) where: Base-Base interactions energy: -701.248 where: short stacking energy: -325.749 Base-Backbone interact. energy: -0.271 local terms energy: -351.880359 where: bonds (distance) C4'-P energy: -61.390 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -74.211 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -96.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -933.129811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.129811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.129811 (E_RNA) where: Base-Base interactions energy: -612.697 where: short stacking energy: -249.457 Base-Backbone interact. energy: -1.785 local terms energy: -318.647918 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -67.457 flat angles C4'-P-C4' energy: -75.238 flat angles P-C4'-P energy: -46.875 tors. eta vs tors. theta energy: -68.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -836.592743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.592743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.592743 (E_RNA) where: Base-Base interactions energy: -526.089 where: short stacking energy: -225.086 Base-Backbone interact. energy: -2.230 local terms energy: -308.274218 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -72.179 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -55.447 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: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -544.857787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.857787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.857787 (E_RNA) where: Base-Base interactions energy: -313.523 where: short stacking energy: -145.980 Base-Backbone interact. energy: -2.153 local terms energy: -229.181192 where: bonds (distance) C4'-P energy: -46.576 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -48.617 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -26.252 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: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -549.486494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.486494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.486494 (E_RNA) where: Base-Base interactions energy: -322.359 where: short stacking energy: -168.142 Base-Backbone interact. energy: 1.226 local terms energy: -228.354090 where: bonds (distance) C4'-P energy: -42.557 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -34.762 tors. eta vs tors. theta energy: -25.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -320.426592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.426592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.426592 (E_RNA) where: Base-Base interactions energy: -135.529 where: short stacking energy: -81.592 Base-Backbone interact. energy: -1.016 local terms energy: -183.881100 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -69.214 flat angles C4'-P-C4' energy: -53.028 flat angles P-C4'-P energy: -20.482 tors. eta vs tors. theta energy: 16.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1263.240742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.240742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.240742 (E_RNA) where: Base-Base interactions energy: -868.803 where: short stacking energy: -365.897 Base-Backbone interact. energy: -1.048 local terms energy: -393.389647 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -73.191 flat angles C4'-P-C4' energy: -85.171 flat angles P-C4'-P energy: -53.678 tors. eta vs tors. theta energy: -105.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1199.870451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.870451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.870451 (E_RNA) where: Base-Base interactions energy: -812.912 where: short stacking energy: -348.656 Base-Backbone interact. energy: 0.657 local terms energy: -387.615950 where: bonds (distance) C4'-P energy: -68.910 bonds (distance) P-C4' energy: -76.670 flat angles C4'-P-C4' energy: -79.334 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -106.148 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: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1146.534532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.534532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.534532 (E_RNA) where: Base-Base interactions energy: -795.486 where: short stacking energy: -321.618 Base-Backbone interact. energy: -1.534 local terms energy: -349.514567 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -77.681 flat angles P-C4'-P energy: -41.366 tors. eta vs tors. theta energy: -88.813 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: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1032.517787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.517787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.517787 (E_RNA) where: Base-Base interactions energy: -687.018 where: short stacking energy: -303.890 Base-Backbone interact. energy: 0.542 local terms energy: -346.041518 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -53.337 tors. eta vs tors. theta energy: -91.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1037.013471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.013471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.013471 (E_RNA) where: Base-Base interactions energy: -679.822 where: short stacking energy: -321.746 Base-Backbone interact. energy: -0.431 local terms energy: -356.760468 where: bonds (distance) C4'-P energy: -68.615 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -68.132 flat angles P-C4'-P energy: -53.609 tors. eta vs tors. theta energy: -105.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -936.449709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.449709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.449709 (E_RNA) where: Base-Base interactions energy: -628.042 where: short stacking energy: -265.345 Base-Backbone interact. energy: -2.260 local terms energy: -306.147849 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -65.430 flat angles C4'-P-C4' energy: -73.605 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: -75.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -850.669208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.669208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.669208 (E_RNA) where: Base-Base interactions energy: -554.347 where: short stacking energy: -241.248 Base-Backbone interact. energy: 0.261 local terms energy: -296.583257 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -58.849 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: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -513.567643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.567643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.567643 (E_RNA) where: Base-Base interactions energy: -272.692 where: short stacking energy: -144.336 Base-Backbone interact. energy: 0.276 local terms energy: -241.152026 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -76.026 flat angles C4'-P-C4' energy: -46.179 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -21.178 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: 446 Temperature: 1.300000 Total energy: -497.633921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.633921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.633921 (E_RNA) where: Base-Base interactions energy: -270.976 where: short stacking energy: -132.224 Base-Backbone interact. energy: 0.942 local terms energy: -227.599930 where: bonds (distance) C4'-P energy: -71.943 bonds (distance) P-C4' energy: -72.323 flat angles C4'-P-C4' energy: -30.813 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -7.237 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: 10, replica: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -273.995693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.995693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.995693 (E_RNA) where: Base-Base interactions energy: -98.858 where: short stacking energy: -66.630 Base-Backbone interact. energy: 0.656 local terms energy: -175.793204 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -70.203 flat angles C4'-P-C4' energy: -38.452 flat angles P-C4'-P energy: -33.051 tors. eta vs tors. theta energy: 20.081 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: 1, replica: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1259.042058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.042058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.042058 (E_RNA) where: Base-Base interactions energy: -874.565 where: short stacking energy: -365.524 Base-Backbone interact. energy: -0.383 local terms energy: -384.094149 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -71.535 flat angles C4'-P-C4' energy: -85.980 flat angles P-C4'-P energy: -51.374 tors. eta vs tors. theta energy: -106.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1182.029079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.029079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.029079 (E_RNA) where: Base-Base interactions energy: -817.332 where: short stacking energy: -347.685 Base-Backbone interact. energy: 0.345 local terms energy: -365.041811 where: bonds (distance) C4'-P energy: -64.424 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -71.201 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: -115.458 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: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1171.632391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.632391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.632391 (E_RNA) where: Base-Base interactions energy: -805.788 where: short stacking energy: -319.398 Base-Backbone interact. energy: -1.531 local terms energy: -364.314110 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -44.176 tors. eta vs tors. theta energy: -88.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1071.693650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.693650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.693650 (E_RNA) where: Base-Base interactions energy: -709.309 where: short stacking energy: -329.425 Base-Backbone interact. energy: -0.860 local terms energy: -361.524860 where: bonds (distance) C4'-P energy: -58.474 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -81.381 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -99.399 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: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -976.390133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.390133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.390133 (E_RNA) where: Base-Base interactions energy: -642.271 where: short stacking energy: -294.937 Base-Backbone interact. energy: -0.754 local terms energy: -333.365355 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -61.960 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -85.291 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: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -939.902522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.902522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.902522 (E_RNA) where: Base-Base interactions energy: -630.249 where: short stacking energy: -247.732 Base-Backbone interact. energy: 1.034 local terms energy: -310.687385 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -75.147 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: -60.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -918.831200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.831200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.831200 (E_RNA) where: Base-Base interactions energy: -638.687 where: short stacking energy: -265.135 Base-Backbone interact. energy: -1.734 local terms energy: -278.410349 where: bonds (distance) C4'-P energy: -57.376 bonds (distance) P-C4' energy: -51.303 flat angles C4'-P-C4' energy: -66.198 flat angles P-C4'-P energy: -31.403 tors. eta vs tors. theta energy: -72.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -573.094092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.094092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.094092 (E_RNA) where: Base-Base interactions energy: -321.656 where: short stacking energy: -181.726 Base-Backbone interact. energy: -0.706 local terms energy: -250.732512 where: bonds (distance) C4'-P energy: -48.809 bonds (distance) P-C4' energy: -59.105 flat angles C4'-P-C4' energy: -74.255 flat angles P-C4'-P energy: -35.580 tors. eta vs tors. theta energy: -32.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -508.660564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.660564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.660564 (E_RNA) where: Base-Base interactions energy: -295.684 where: short stacking energy: -145.487 Base-Backbone interact. energy: -1.897 local terms energy: -211.080194 where: bonds (distance) C4'-P energy: -59.096 bonds (distance) P-C4' energy: -67.304 flat angles C4'-P-C4' energy: -33.979 flat angles P-C4'-P energy: -36.370 tors. eta vs tors. theta energy: -14.332 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: 447 Temperature: 1.350000 Total energy: -309.335319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.335319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.335319 (E_RNA) where: Base-Base interactions energy: -118.317 where: short stacking energy: -103.860 Base-Backbone interact. energy: -0.812 local terms energy: -190.206757 where: bonds (distance) C4'-P energy: -43.891 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -53.687 flat angles P-C4'-P energy: -30.123 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1269.007415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.007415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.007415 (E_RNA) where: Base-Base interactions energy: -875.963 where: short stacking energy: -370.506 Base-Backbone interact. energy: -1.202 local terms energy: -391.842145 where: bonds (distance) C4'-P energy: -75.237 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -99.247 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: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1221.193883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.193883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.193883 (E_RNA) where: Base-Base interactions energy: -834.669 where: short stacking energy: -360.152 Base-Backbone interact. energy: 1.033 local terms energy: -387.558596 where: bonds (distance) C4'-P energy: -72.953 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -79.876 flat angles P-C4'-P energy: -58.167 tors. eta vs tors. theta energy: -105.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1148.015651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.015651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.015651 (E_RNA) where: Base-Base interactions energy: -812.077 where: short stacking energy: -318.193 Base-Backbone interact. energy: -0.924 local terms energy: -335.014670 where: bonds (distance) C4'-P energy: -57.717 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -72.713 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -83.439 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: 10 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1068.476693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.476693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.476693 (E_RNA) where: Base-Base interactions energy: -700.258 where: short stacking energy: -328.244 Base-Backbone interact. energy: -0.450 local terms energy: -367.768515 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -72.620 flat angles C4'-P-C4' energy: -80.002 flat angles P-C4'-P energy: -51.954 tors. eta vs tors. theta energy: -102.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -965.972683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.972683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.972683 (E_RNA) where: Base-Base interactions energy: -643.952 where: short stacking energy: -283.667 Base-Backbone interact. energy: -1.086 local terms energy: -320.934249 where: bonds (distance) C4'-P energy: -57.007 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -69.893 flat angles P-C4'-P energy: -54.181 tors. eta vs tors. theta energy: -75.628 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: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -932.564842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.564842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.564842 (E_RNA) where: Base-Base interactions energy: -600.074 where: short stacking energy: -255.937 Base-Backbone interact. energy: -1.321 local terms energy: -331.170282 where: bonds (distance) C4'-P energy: -70.623 bonds (distance) P-C4' energy: -73.109 flat angles C4'-P-C4' energy: -72.288 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -72.279 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: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -956.299786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.299786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.299786 (E_RNA) where: Base-Base interactions energy: -629.228 where: short stacking energy: -277.811 Base-Backbone interact. energy: 1.366 local terms energy: -328.437460 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -70.641 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -80.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -561.424423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.424423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.424423 (E_RNA) where: Base-Base interactions energy: -318.387 where: short stacking energy: -151.143 Base-Backbone interact. energy: -1.455 local terms energy: -241.582475 where: bonds (distance) C4'-P energy: -60.360 bonds (distance) P-C4' energy: -70.717 flat angles C4'-P-C4' energy: -54.152 flat angles P-C4'-P energy: -31.989 tors. eta vs tors. theta energy: -24.364 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: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -456.547779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.547779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.547779 (E_RNA) where: Base-Base interactions energy: -232.684 where: short stacking energy: -133.760 Base-Backbone interact. energy: -0.953 local terms energy: -222.910513 where: bonds (distance) C4'-P energy: -51.818 bonds (distance) P-C4' energy: -60.589 flat angles C4'-P-C4' energy: -55.211 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: -25.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -279.394017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.394017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.394017 (E_RNA) where: Base-Base interactions energy: -82.387 where: short stacking energy: -67.311 Base-Backbone interact. energy: -1.422 local terms energy: -195.585677 where: bonds (distance) C4'-P energy: -75.714 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -56.858 flat angles P-C4'-P energy: -15.787 tors. eta vs tors. theta energy: 18.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1231.451516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.451516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.451516 (E_RNA) where: Base-Base interactions energy: -847.585 where: short stacking energy: -358.607 Base-Backbone interact. energy: -2.300 local terms energy: -381.567446 where: bonds (distance) C4'-P energy: -74.104 bonds (distance) P-C4' energy: -71.462 flat angles C4'-P-C4' energy: -81.255 flat angles P-C4'-P energy: -49.947 tors. eta vs tors. theta energy: -104.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1204.566177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.566177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.566177 (E_RNA) where: Base-Base interactions energy: -831.178 where: short stacking energy: -334.694 Base-Backbone interact. energy: 0.782 local terms energy: -374.169773 where: bonds (distance) C4'-P energy: -66.851 bonds (distance) P-C4' energy: -71.330 flat angles C4'-P-C4' energy: -74.637 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -110.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1138.072367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.072367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.072367 (E_RNA) where: Base-Base interactions energy: -790.314 where: short stacking energy: -305.417 Base-Backbone interact. energy: -1.395 local terms energy: -346.362862 where: bonds (distance) C4'-P energy: -73.083 bonds (distance) P-C4' energy: -71.641 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -87.967 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: 4, replica: 10 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1009.628540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.628540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.628540 (E_RNA) where: Base-Base interactions energy: -679.757 where: short stacking energy: -294.549 Base-Backbone interact. energy: -0.293 local terms energy: -329.578311 where: bonds (distance) C4'-P energy: -63.338 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: -92.265 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: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -970.011353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.011353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.011353 (E_RNA) where: Base-Base interactions energy: -642.932 where: short stacking energy: -286.911 Base-Backbone interact. energy: -1.022 local terms energy: -326.057086 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -66.300 flat angles C4'-P-C4' energy: -75.008 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -75.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -941.059891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.059891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.059891 (E_RNA) where: Base-Base interactions energy: -629.297 where: short stacking energy: -266.295 Base-Backbone interact. energy: 0.636 local terms energy: -312.399441 where: bonds (distance) C4'-P energy: -63.551 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: -75.924 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: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -925.789580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.789580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.789580 (E_RNA) where: Base-Base interactions energy: -613.629 where: short stacking energy: -260.960 Base-Backbone interact. energy: 0.162 local terms energy: -312.323441 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -60.374 flat angles C4'-P-C4' energy: -73.565 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -75.376 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: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -549.230029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.230029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.230029 (E_RNA) where: Base-Base interactions energy: -302.903 where: short stacking energy: -154.551 Base-Backbone interact. energy: -1.920 local terms energy: -244.406995 where: bonds (distance) C4'-P energy: -46.312 bonds (distance) P-C4' energy: -69.740 flat angles C4'-P-C4' energy: -65.670 flat angles P-C4'-P energy: -34.204 tors. eta vs tors. theta energy: -28.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -462.432080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.432080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.432080 (E_RNA) where: Base-Base interactions energy: -233.727 where: short stacking energy: -122.752 Base-Backbone interact. energy: -3.013 local terms energy: -225.692602 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -43.377 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -294.159561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.159561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.159561 (E_RNA) where: Base-Base interactions energy: -96.936 where: short stacking energy: -69.455 Base-Backbone interact. energy: 6.990 local terms energy: -204.214043 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -54.355 flat angles C4'-P-C4' energy: -49.281 flat angles P-C4'-P energy: -30.496 tors. eta vs tors. theta energy: 7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1274.337920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.337920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.337920 (E_RNA) where: Base-Base interactions energy: -874.027 where: short stacking energy: -365.441 Base-Backbone interact. energy: -1.475 local terms energy: -398.835583 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -80.691 flat angles C4'-P-C4' energy: -79.638 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -97.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1205.238262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.238262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.238262 (E_RNA) where: Base-Base interactions energy: -850.567 where: short stacking energy: -350.664 Base-Backbone interact. energy: -2.565 local terms energy: -352.106214 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -70.362 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -59.933 tors. eta vs tors. theta energy: -101.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1192.536456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.536456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.536456 (E_RNA) where: Base-Base interactions energy: -832.776 where: short stacking energy: -337.995 Base-Backbone interact. energy: 0.815 local terms energy: -360.575586 where: bonds (distance) C4'-P energy: -73.865 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -73.502 flat angles P-C4'-P energy: -51.652 tors. eta vs tors. theta energy: -97.760 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: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -989.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.047120 (E_RNA) where: Base-Base interactions energy: -650.055 where: short stacking energy: -295.218 Base-Backbone interact. energy: -0.749 local terms energy: -338.242912 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -63.550 flat angles C4'-P-C4' energy: -71.387 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -81.721 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: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1017.109494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.109494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.109494 (E_RNA) where: Base-Base interactions energy: -694.642 where: short stacking energy: -317.725 Base-Backbone interact. energy: -0.038 local terms energy: -322.429399 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -67.727 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -88.536 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: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -892.270757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.270757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.270757 (E_RNA) where: Base-Base interactions energy: -610.964 where: short stacking energy: -232.243 Base-Backbone interact. energy: 0.502 local terms energy: -281.809288 where: bonds (distance) C4'-P energy: -50.698 bonds (distance) P-C4' energy: -61.523 flat angles C4'-P-C4' energy: -68.417 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -57.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -916.844692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.844692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.844692 (E_RNA) where: Base-Base interactions energy: -609.277 where: short stacking energy: -263.832 Base-Backbone interact. energy: 0.510 local terms energy: -308.077964 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -61.303 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -51.476 tors. eta vs tors. theta energy: -71.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -583.027537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.027537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.027537 (E_RNA) where: Base-Base interactions energy: -332.192 where: short stacking energy: -164.300 Base-Backbone interact. energy: -1.061 local terms energy: -249.774143 where: bonds (distance) C4'-P energy: -50.364 bonds (distance) P-C4' energy: -63.121 flat angles C4'-P-C4' energy: -61.013 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -30.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -471.130752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.130752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.130752 (E_RNA) where: Base-Base interactions energy: -248.161 where: short stacking energy: -120.434 Base-Backbone interact. energy: -1.646 local terms energy: -221.323838 where: bonds (distance) C4'-P energy: -64.391 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -50.566 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -304.148390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.148390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.148390 (E_RNA) where: Base-Base interactions energy: -112.455 where: short stacking energy: -72.635 Base-Backbone interact. energy: 1.373 local terms energy: -193.066278 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -45.733 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: 10.186 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: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1252.166568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.166568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.166568 (E_RNA) where: Base-Base interactions energy: -853.175 where: short stacking energy: -367.358 Base-Backbone interact. energy: 0.248 local terms energy: -399.239777 where: bonds (distance) C4'-P energy: -79.028 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -76.310 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -107.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1223.310204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.310204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.310204 (E_RNA) where: Base-Base interactions energy: -834.661 where: short stacking energy: -363.610 Base-Backbone interact. energy: 1.729 local terms energy: -390.378447 where: bonds (distance) C4'-P energy: -69.801 bonds (distance) P-C4' energy: -77.729 flat angles C4'-P-C4' energy: -83.709 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -110.515 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: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1146.842802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.842802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.842802 (E_RNA) where: Base-Base interactions energy: -800.829 where: short stacking energy: -317.632 Base-Backbone interact. energy: 1.679 local terms energy: -347.692163 where: bonds (distance) C4'-P energy: -65.110 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -86.426 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -89.773 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1042.978548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.978548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.978548 (E_RNA) where: Base-Base interactions energy: -684.878 where: short stacking energy: -299.992 Base-Backbone interact. energy: -2.513 local terms energy: -355.587661 where: bonds (distance) C4'-P energy: -60.601 bonds (distance) P-C4' energy: -74.295 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -52.095 tors. eta vs tors. theta energy: -90.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -989.462892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.462892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.462892 (E_RNA) where: Base-Base interactions energy: -656.668 where: short stacking energy: -293.262 Base-Backbone interact. energy: -0.513 local terms energy: -332.281517 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -79.558 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -86.208 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: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -935.890536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.890536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.890536 (E_RNA) where: Base-Base interactions energy: -605.280 where: short stacking energy: -276.829 Base-Backbone interact. energy: -0.081 local terms energy: -330.529222 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -55.853 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -88.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -872.880280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.880280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.880280 (E_RNA) where: Base-Base interactions energy: -579.989 where: short stacking energy: -232.989 Base-Backbone interact. energy: -0.252 local terms energy: -292.638972 where: bonds (distance) C4'-P energy: -51.648 bonds (distance) P-C4' energy: -69.120 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -62.800 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: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -553.455895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.455895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.455895 (E_RNA) where: Base-Base interactions energy: -312.995 where: short stacking energy: -158.290 Base-Backbone interact. energy: 3.263 local terms energy: -243.723232 where: bonds (distance) C4'-P energy: -55.671 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -59.083 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -16.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -498.770302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.770302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.770302 (E_RNA) where: Base-Base interactions energy: -266.515 where: short stacking energy: -140.939 Base-Backbone interact. energy: -0.819 local terms energy: -231.437034 where: bonds (distance) C4'-P energy: -61.403 bonds (distance) P-C4' energy: -68.504 flat angles C4'-P-C4' energy: -46.957 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -12.502 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: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -282.952631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.952631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.952631 (E_RNA) where: Base-Base interactions energy: -100.704 where: short stacking energy: -63.682 Base-Backbone interact. energy: 3.294 local terms energy: -185.542537 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -47.943 flat angles P-C4'-P energy: -33.096 tors. eta vs tors. theta energy: 13.900 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: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1254.657670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.657670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.657670 (E_RNA) where: Base-Base interactions energy: -858.914 where: short stacking energy: -367.909 Base-Backbone interact. energy: -1.550 local terms energy: -394.194513 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -64.132 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -60.177 tors. eta vs tors. theta energy: -106.503 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: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1217.124159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.124159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.124159 (E_RNA) where: Base-Base interactions energy: -835.668 where: short stacking energy: -353.512 Base-Backbone interact. energy: 1.137 local terms energy: -382.593239 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -73.320 flat angles C4'-P-C4' energy: -85.694 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -108.672 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: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1184.198783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.198783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.198783 (E_RNA) where: Base-Base interactions energy: -824.918 where: short stacking energy: -336.435 Base-Backbone interact. energy: 0.204 local terms energy: -359.484722 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -91.209 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: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1077.930093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.930093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.930093 (E_RNA) where: Base-Base interactions energy: -711.757 where: short stacking energy: -317.893 Base-Backbone interact. energy: -0.818 local terms energy: -365.355099 where: bonds (distance) C4'-P energy: -76.041 bonds (distance) P-C4' energy: -75.056 flat angles C4'-P-C4' energy: -74.813 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -87.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -918.642931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.642931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.642931 (E_RNA) where: Base-Base interactions energy: -611.018 where: short stacking energy: -258.159 Base-Backbone interact. energy: -0.668 local terms energy: -306.957714 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -71.589 flat angles P-C4'-P energy: -43.154 tors. eta vs tors. theta energy: -73.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -979.740864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.740864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.740864 (E_RNA) where: Base-Base interactions energy: -657.049 where: short stacking energy: -313.190 Base-Backbone interact. energy: -0.982 local terms energy: -321.710068 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -51.302 flat angles C4'-P-C4' energy: -78.768 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -99.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -844.936636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.936636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.936636 (E_RNA) where: Base-Base interactions energy: -545.342 where: short stacking energy: -216.887 Base-Backbone interact. energy: 1.713 local terms energy: -301.308340 where: bonds (distance) C4'-P energy: -67.223 bonds (distance) P-C4' energy: -72.548 flat angles C4'-P-C4' energy: -75.580 flat angles P-C4'-P energy: -38.743 tors. eta vs tors. theta energy: -47.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -563.695826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.695826 (E_RNA) where: Base-Base interactions energy: -321.703 where: short stacking energy: -179.252 Base-Backbone interact. energy: -0.297 local terms energy: -241.696442 where: bonds (distance) C4'-P energy: -49.392 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -57.124 flat angles P-C4'-P energy: -27.537 tors. eta vs tors. theta energy: -36.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -481.705567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.705567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.705567 (E_RNA) where: Base-Base interactions energy: -252.571 where: short stacking energy: -149.738 Base-Backbone interact. energy: 3.106 local terms energy: -232.240085 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -49.875 flat angles C4'-P-C4' energy: -51.327 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -23.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -282.525851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.525851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.525851 (E_RNA) where: Base-Base interactions energy: -96.422 where: short stacking energy: -56.132 Base-Backbone interact. energy: 6.235 local terms energy: -192.339006 where: bonds (distance) C4'-P energy: -51.558 bonds (distance) P-C4' energy: -61.287 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -25.494 tors. eta vs tors. theta energy: 7.876 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: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1257.705418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.705418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.705418 (E_RNA) where: Base-Base interactions energy: -859.229 where: short stacking energy: -365.717 Base-Backbone interact. energy: 1.312 local terms energy: -399.788150 where: bonds (distance) C4'-P energy: -73.408 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -84.238 flat angles P-C4'-P energy: -56.133 tors. eta vs tors. theta energy: -109.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1216.850489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.850489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.850489 (E_RNA) where: Base-Base interactions energy: -838.699 where: short stacking energy: -365.961 Base-Backbone interact. energy: -1.295 local terms energy: -376.856973 where: bonds (distance) C4'-P energy: -58.511 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -53.599 tors. eta vs tors. theta energy: -107.168 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: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1180.510195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.510195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.510195 (E_RNA) where: Base-Base interactions energy: -822.160 where: short stacking energy: -320.697 Base-Backbone interact. energy: -1.637 local terms energy: -356.713501 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -73.541 flat angles C4'-P-C4' energy: -76.437 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -89.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1032.612909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.612909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.612909 (E_RNA) where: Base-Base interactions energy: -685.412 where: short stacking energy: -308.228 Base-Backbone interact. energy: -1.476 local terms energy: -345.725225 where: bonds (distance) C4'-P energy: -64.926 bonds (distance) P-C4' energy: -66.363 flat angles C4'-P-C4' energy: -80.404 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -85.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -910.667875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.667875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.667875 (E_RNA) where: Base-Base interactions energy: -577.547 where: short stacking energy: -255.049 Base-Backbone interact. energy: 0.446 local terms energy: -333.567004 where: bonds (distance) C4'-P energy: -67.548 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -48.536 tors. eta vs tors. theta energy: -69.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -949.848088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.848088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.848088 (E_RNA) where: Base-Base interactions energy: -610.879 where: short stacking energy: -272.662 Base-Backbone interact. energy: -1.301 local terms energy: -337.667952 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -72.021 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -85.106 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: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -878.773155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.773155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.773155 (E_RNA) where: Base-Base interactions energy: -563.184 where: short stacking energy: -240.899 Base-Backbone interact. energy: -1.249 local terms energy: -314.339545 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -68.168 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -68.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -569.535539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.535539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.535539 (E_RNA) where: Base-Base interactions energy: -330.535 where: short stacking energy: -176.919 Base-Backbone interact. energy: 1.022 local terms energy: -240.021802 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -52.060 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -28.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -488.288010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.288010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.288010 (E_RNA) where: Base-Base interactions energy: -261.404 where: short stacking energy: -147.894 Base-Backbone interact. energy: -1.214 local terms energy: -225.670659 where: bonds (distance) C4'-P energy: -47.938 bonds (distance) P-C4' energy: -78.097 flat angles C4'-P-C4' energy: -51.325 flat angles P-C4'-P energy: -36.935 tors. eta vs tors. theta energy: -11.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -328.561532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.561532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.561532 (E_RNA) where: Base-Base interactions energy: -145.082 where: short stacking energy: -101.202 Base-Backbone interact. energy: 6.174 local terms energy: -189.654003 where: bonds (distance) C4'-P energy: -70.466 bonds (distance) P-C4' energy: -48.660 flat angles C4'-P-C4' energy: -46.144 flat angles P-C4'-P energy: -22.716 tors. eta vs tors. theta energy: -1.668 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: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1233.769959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.769959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.769959 (E_RNA) where: Base-Base interactions energy: -861.704 where: short stacking energy: -365.599 Base-Backbone interact. energy: 6.521 local terms energy: -378.586428 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -77.793 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -55.865 tors. eta vs tors. theta energy: -99.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1225.663628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.663628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.663628 (E_RNA) where: Base-Base interactions energy: -834.711 where: short stacking energy: -361.285 Base-Backbone interact. energy: -2.054 local terms energy: -388.898913 where: bonds (distance) C4'-P energy: -75.947 bonds (distance) P-C4' energy: -68.546 flat angles C4'-P-C4' energy: -79.407 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -115.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1158.812603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.812603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.812603 (E_RNA) where: Base-Base interactions energy: -806.595 where: short stacking energy: -321.788 Base-Backbone interact. energy: 1.757 local terms energy: -353.975123 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -93.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1060.322707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.322707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.322707 (E_RNA) where: Base-Base interactions energy: -712.363 where: short stacking energy: -314.090 Base-Backbone interact. energy: 0.047 local terms energy: -348.007050 where: bonds (distance) C4'-P energy: -72.376 bonds (distance) P-C4' energy: -67.086 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -44.559 tors. eta vs tors. theta energy: -93.024 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: 454 Temperature: 1.100000 Total energy: -1005.437997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.437997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.437997 (E_RNA) where: Base-Base interactions energy: -662.510 where: short stacking energy: -293.543 Base-Backbone interact. energy: -1.659 local terms energy: -341.268919 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -70.475 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: -89.724 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: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -901.064428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.064428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.064428 (E_RNA) where: Base-Base interactions energy: -608.655 where: short stacking energy: -262.559 Base-Backbone interact. energy: -0.171 local terms energy: -292.238356 where: bonds (distance) C4'-P energy: -54.674 bonds (distance) P-C4' energy: -69.609 flat angles C4'-P-C4' energy: -73.020 flat angles P-C4'-P energy: -35.775 tors. eta vs tors. theta energy: -59.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -913.263677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.263677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.263677 (E_RNA) where: Base-Base interactions energy: -611.647 where: short stacking energy: -255.215 Base-Backbone interact. energy: 0.417 local terms energy: -302.033139 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -39.612 tors. eta vs tors. theta energy: -63.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -574.156537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.156537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.156537 (E_RNA) where: Base-Base interactions energy: -308.810 where: short stacking energy: -146.442 Base-Backbone interact. energy: -0.797 local terms energy: -264.549041 where: bonds (distance) C4'-P energy: -68.926 bonds (distance) P-C4' energy: -64.829 flat angles C4'-P-C4' energy: -74.511 flat angles P-C4'-P energy: -37.431 tors. eta vs tors. theta energy: -18.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -483.658389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.658389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.658389 (E_RNA) where: Base-Base interactions energy: -249.202 where: short stacking energy: -131.361 Base-Backbone interact. energy: -1.119 local terms energy: -233.337213 where: bonds (distance) C4'-P energy: -52.693 bonds (distance) P-C4' energy: -73.106 flat angles C4'-P-C4' energy: -51.203 flat angles P-C4'-P energy: -42.460 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -319.114079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.114079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.114079 (E_RNA) where: Base-Base interactions energy: -130.523 where: short stacking energy: -86.112 Base-Backbone interact. energy: 1.262 local terms energy: -189.852787 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -54.961 flat angles C4'-P-C4' energy: -46.372 flat angles P-C4'-P energy: -31.295 tors. eta vs tors. theta energy: 8.055 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: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1251.762076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.762076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.762076 (E_RNA) where: Base-Base interactions energy: -873.449 where: short stacking energy: -364.861 Base-Backbone interact. energy: 0.051 local terms energy: -378.364601 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -66.122 flat angles C4'-P-C4' energy: -77.495 flat angles P-C4'-P energy: -58.260 tors. eta vs tors. theta energy: -106.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1224.780356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.780356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.780356 (E_RNA) where: Base-Base interactions energy: -841.874 where: short stacking energy: -362.764 Base-Backbone interact. energy: -1.600 local terms energy: -381.306119 where: bonds (distance) C4'-P energy: -71.361 bonds (distance) P-C4' energy: -73.924 flat angles C4'-P-C4' energy: -80.905 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -108.332 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: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1165.218502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.218502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.218502 (E_RNA) where: Base-Base interactions energy: -812.584 where: short stacking energy: -340.251 Base-Backbone interact. energy: -1.539 local terms energy: -351.095770 where: bonds (distance) C4'-P energy: -60.703 bonds (distance) P-C4' energy: -66.246 flat angles C4'-P-C4' energy: -81.024 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -96.563 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: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1076.554888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.554888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.554888 (E_RNA) where: Base-Base interactions energy: -706.630 where: short stacking energy: -311.186 Base-Backbone interact. energy: -2.004 local terms energy: -367.921060 where: bonds (distance) C4'-P energy: -63.973 bonds (distance) P-C4' energy: -71.806 flat angles C4'-P-C4' energy: -81.840 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -91.234 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: 455 Temperature: 1.100000 Total energy: -1026.426258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.426258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.426258 (E_RNA) where: Base-Base interactions energy: -673.928 where: short stacking energy: -291.358 Base-Backbone interact. energy: -0.784 local terms energy: -351.714236 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -77.087 flat angles C4'-P-C4' energy: -76.793 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -84.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -944.551269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.551269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.551269 (E_RNA) where: Base-Base interactions energy: -631.585 where: short stacking energy: -264.739 Base-Backbone interact. energy: -0.673 local terms energy: -312.293974 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -63.312 flat angles C4'-P-C4' energy: -67.218 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -70.470 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: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -843.406399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.406399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.406399 (E_RNA) where: Base-Base interactions energy: -553.474 where: short stacking energy: -237.360 Base-Backbone interact. energy: -0.986 local terms energy: -288.946835 where: bonds (distance) C4'-P energy: -49.028 bonds (distance) P-C4' energy: -76.991 flat angles C4'-P-C4' energy: -65.257 flat angles P-C4'-P energy: -35.698 tors. eta vs tors. theta energy: -61.973 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: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -522.450624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.450624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.450624 (E_RNA) where: Base-Base interactions energy: -275.246 where: short stacking energy: -137.433 Base-Backbone interact. energy: -1.919 local terms energy: -245.285807 where: bonds (distance) C4'-P energy: -58.966 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -56.688 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -21.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -481.800138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.800138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.800138 (E_RNA) where: Base-Base interactions energy: -256.089 where: short stacking energy: -143.964 Base-Backbone interact. energy: 0.088 local terms energy: -225.798562 where: bonds (distance) C4'-P energy: -63.887 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -46.797 flat angles P-C4'-P energy: -33.839 tors. eta vs tors. theta energy: -11.134 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: 455 Temperature: 1.350000 Total energy: -300.335631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.335631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.335631 (E_RNA) where: Base-Base interactions energy: -120.917 where: short stacking energy: -82.955 Base-Backbone interact. energy: -0.093 local terms energy: -179.325752 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -51.538 flat angles C4'-P-C4' energy: -51.753 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: 9.787 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: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1240.661874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.661874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.661874 (E_RNA) where: Base-Base interactions energy: -848.326 where: short stacking energy: -379.128 Base-Backbone interact. energy: -1.039 local terms energy: -391.296103 where: bonds (distance) C4'-P energy: -71.525 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -83.408 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -108.618 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: 2, replica: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1229.381708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.381708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.381708 (E_RNA) where: Base-Base interactions energy: -834.941 where: short stacking energy: -348.178 Base-Backbone interact. energy: 0.058 local terms energy: -394.498114 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -68.375 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -108.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1166.350110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.350110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.350110 (E_RNA) where: Base-Base interactions energy: -823.233 where: short stacking energy: -327.890 Base-Backbone interact. energy: 0.541 local terms energy: -343.657424 where: bonds (distance) C4'-P energy: -68.506 bonds (distance) P-C4' energy: -67.859 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -47.750 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: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1096.459072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.459072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.459072 (E_RNA) where: Base-Base interactions energy: -734.683 where: short stacking energy: -303.143 Base-Backbone interact. energy: -0.187 local terms energy: -361.589166 where: bonds (distance) C4'-P energy: -83.284 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -61.293 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -91.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -990.983931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.983931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.983931 (E_RNA) where: Base-Base interactions energy: -660.196 where: short stacking energy: -296.906 Base-Backbone interact. energy: 0.271 local terms energy: -331.059572 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -64.915 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -49.839 tors. eta vs tors. theta energy: -84.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -926.065597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.065597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.065597 (E_RNA) where: Base-Base interactions energy: -617.281 where: short stacking energy: -277.647 Base-Backbone interact. energy: 1.656 local terms energy: -310.440109 where: bonds (distance) C4'-P energy: -53.924 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -75.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -848.391595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.391595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.391595 (E_RNA) where: Base-Base interactions energy: -553.524 where: short stacking energy: -248.992 Base-Backbone interact. energy: -1.990 local terms energy: -292.878375 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -61.167 flat angles C4'-P-C4' energy: -62.913 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -60.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -521.800833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.800833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.800833 (E_RNA) where: Base-Base interactions energy: -303.341 where: short stacking energy: -135.056 Base-Backbone interact. energy: -0.636 local terms energy: -217.824323 where: bonds (distance) C4'-P energy: -63.472 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -47.389 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -473.259040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.259040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.259040 (E_RNA) where: Base-Base interactions energy: -254.199 where: short stacking energy: -131.955 Base-Backbone interact. energy: -0.756 local terms energy: -218.303403 where: bonds (distance) C4'-P energy: -61.995 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -45.946 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -8.209 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: 456 Temperature: 1.350000 Total energy: -302.837170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.837170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.837170 (E_RNA) where: Base-Base interactions energy: -108.164 where: short stacking energy: -69.884 Base-Backbone interact. energy: -1.830 local terms energy: -192.842411 where: bonds (distance) C4'-P energy: -51.208 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -61.729 flat angles P-C4'-P energy: -31.681 tors. eta vs tors. theta energy: 19.891 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: 457 Temperature: 0.900000 Total energy: -1241.369943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.369943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.369943 (E_RNA) where: Base-Base interactions energy: -873.922 where: short stacking energy: -375.429 Base-Backbone interact. energy: -1.290 local terms energy: -366.158497 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -68.804 flat angles C4'-P-C4' energy: -79.937 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -105.786 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: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1237.708487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.708487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.708487 (E_RNA) where: Base-Base interactions energy: -847.167 where: short stacking energy: -348.467 Base-Backbone interact. energy: 4.387 local terms energy: -394.928232 where: bonds (distance) C4'-P energy: -73.325 bonds (distance) P-C4' energy: -72.554 flat angles C4'-P-C4' energy: -84.339 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -110.309 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: 457 Temperature: 1.000000 Total energy: -1165.314736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.314736 (E_RNA) where: Base-Base interactions energy: -810.002 where: short stacking energy: -320.290 Base-Backbone interact. energy: -1.871 local terms energy: -353.441153 where: bonds (distance) C4'-P energy: -76.209 bonds (distance) P-C4' energy: -71.493 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -52.917 tors. eta vs tors. theta energy: -86.025 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: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1080.841484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.841484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.841484 (E_RNA) where: Base-Base interactions energy: -740.793 where: short stacking energy: -317.770 Base-Backbone interact. energy: -0.983 local terms energy: -339.065276 where: bonds (distance) C4'-P energy: -49.617 bonds (distance) P-C4' energy: -75.291 flat angles C4'-P-C4' energy: -74.249 flat angles P-C4'-P energy: -44.737 tors. eta vs tors. theta energy: -95.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -954.442775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.442775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.442775 (E_RNA) where: Base-Base interactions energy: -623.653 where: short stacking energy: -278.238 Base-Backbone interact. energy: -1.116 local terms energy: -329.673988 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -73.146 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: -76.028 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: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -899.301497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.301497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.301497 (E_RNA) where: Base-Base interactions energy: -598.860 where: short stacking energy: -250.120 Base-Backbone interact. energy: -0.451 local terms energy: -299.989663 where: bonds (distance) C4'-P energy: -67.788 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -68.393 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: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -901.410211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.410211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.410211 (E_RNA) where: Base-Base interactions energy: -589.830 where: short stacking energy: -239.651 Base-Backbone interact. energy: 0.118 local terms energy: -311.698209 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -72.090 flat angles P-C4'-P energy: -44.513 tors. eta vs tors. theta energy: -63.688 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: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -484.905641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.905641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.905641 (E_RNA) where: Base-Base interactions energy: -257.263 where: short stacking energy: -141.583 Base-Backbone interact. energy: 4.496 local terms energy: -232.138227 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -59.450 flat angles P-C4'-P energy: -36.622 tors. eta vs tors. theta energy: -14.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -488.495574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.495574 (E_RNA) where: Base-Base interactions energy: -268.177 where: short stacking energy: -163.332 Base-Backbone interact. energy: 0.835 local terms energy: -221.153568 where: bonds (distance) C4'-P energy: -46.732 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -36.829 tors. eta vs tors. theta energy: -18.104 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: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -338.221520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.221520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.221520 (E_RNA) where: Base-Base interactions energy: -132.448 where: short stacking energy: -93.000 Base-Backbone interact. energy: 0.262 local terms energy: -206.035869 where: bonds (distance) C4'-P energy: -51.759 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -51.269 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: 10.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1266.466614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.466614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.466614 (E_RNA) where: Base-Base interactions energy: -873.432 where: short stacking energy: -362.343 Base-Backbone interact. energy: -1.155 local terms energy: -391.879546 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -79.694 flat angles C4'-P-C4' energy: -81.503 flat angles P-C4'-P energy: -57.570 tors. eta vs tors. theta energy: -107.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1208.922412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.922412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.922412 (E_RNA) where: Base-Base interactions energy: -829.138 where: short stacking energy: -345.202 Base-Backbone interact. energy: -3.659 local terms energy: -376.125243 where: bonds (distance) C4'-P energy: -63.602 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -77.802 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -111.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1163.011642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.011642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.011642 (E_RNA) where: Base-Base interactions energy: -807.395 where: short stacking energy: -328.407 Base-Backbone interact. energy: -0.834 local terms energy: -354.782748 where: bonds (distance) C4'-P energy: -66.187 bonds (distance) P-C4' energy: -66.564 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -90.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1091.994060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.994060 (E_RNA) where: Base-Base interactions energy: -732.018 where: short stacking energy: -315.041 Base-Backbone interact. energy: 0.199 local terms energy: -360.174869 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -77.539 flat angles C4'-P-C4' energy: -83.879 flat angles P-C4'-P energy: -47.485 tors. eta vs tors. theta energy: -89.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -998.435511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.435511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.435511 (E_RNA) where: Base-Base interactions energy: -668.944 where: short stacking energy: -294.431 Base-Backbone interact. energy: -1.086 local terms energy: -328.405294 where: bonds (distance) C4'-P energy: -67.420 bonds (distance) P-C4' energy: -70.428 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -35.853 tors. eta vs tors. theta energy: -88.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -877.074181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.074181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.074181 (E_RNA) where: Base-Base interactions energy: -567.931 where: short stacking energy: -249.746 Base-Backbone interact. energy: -1.206 local terms energy: -307.936824 where: bonds (distance) C4'-P energy: -61.449 bonds (distance) P-C4' energy: -70.459 flat angles C4'-P-C4' energy: -58.561 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -69.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -894.576165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.576165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.576165 (E_RNA) where: Base-Base interactions energy: -617.606 where: short stacking energy: -236.656 Base-Backbone interact. energy: -1.844 local terms energy: -275.125571 where: bonds (distance) C4'-P energy: -46.837 bonds (distance) P-C4' energy: -62.702 flat angles C4'-P-C4' energy: -59.557 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -59.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -504.111969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.111969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.111969 (E_RNA) where: Base-Base interactions energy: -266.429 where: short stacking energy: -158.565 Base-Backbone interact. energy: 0.886 local terms energy: -238.569272 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -53.079 flat angles P-C4'-P energy: -31.051 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -458.985029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.985029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.985029 (E_RNA) where: Base-Base interactions energy: -235.521 where: short stacking energy: -131.449 Base-Backbone interact. energy: 1.940 local terms energy: -225.403902 where: bonds (distance) C4'-P energy: -48.507 bonds (distance) P-C4' energy: -64.729 flat angles C4'-P-C4' energy: -71.566 flat angles P-C4'-P energy: -39.115 tors. eta vs tors. theta energy: -1.487 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: 458 Temperature: 1.350000 Total energy: -359.771305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.771305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.771305 (E_RNA) where: Base-Base interactions energy: -181.724 where: short stacking energy: -99.654 Base-Backbone interact. energy: 5.508 local terms energy: -183.554716 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -52.789 flat angles P-C4'-P energy: -25.415 tors. eta vs tors. theta energy: 23.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1276.389258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.389258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.389258 (E_RNA) where: Base-Base interactions energy: -881.613 where: short stacking energy: -376.143 Base-Backbone interact. energy: -2.092 local terms energy: -392.684617 where: bonds (distance) C4'-P energy: -66.756 bonds (distance) P-C4' energy: -80.245 flat angles C4'-P-C4' energy: -77.082 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -113.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1214.801101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.801101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.801101 (E_RNA) where: Base-Base interactions energy: -832.849 where: short stacking energy: -358.084 Base-Backbone interact. energy: -1.410 local terms energy: -380.542647 where: bonds (distance) C4'-P energy: -83.181 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -77.639 flat angles P-C4'-P energy: -53.196 tors. eta vs tors. theta energy: -103.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1155.046847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.046847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.046847 (E_RNA) where: Base-Base interactions energy: -803.975 where: short stacking energy: -326.147 Base-Backbone interact. energy: -1.413 local terms energy: -349.659481 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -76.489 flat angles C4'-P-C4' energy: -68.774 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -87.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1048.250106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.250106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.250106 (E_RNA) where: Base-Base interactions energy: -705.559 where: short stacking energy: -316.211 Base-Backbone interact. energy: -0.197 local terms energy: -342.493610 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -64.899 flat angles C4'-P-C4' energy: -76.139 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -95.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -996.834697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.834697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.834697 (E_RNA) where: Base-Base interactions energy: -655.728 where: short stacking energy: -289.093 Base-Backbone interact. energy: -0.850 local terms energy: -340.256386 where: bonds (distance) C4'-P energy: -67.394 bonds (distance) P-C4' energy: -76.967 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -84.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -927.703022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.703022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.703022 (E_RNA) where: Base-Base interactions energy: -612.573 where: short stacking energy: -260.248 Base-Backbone interact. energy: 2.226 local terms energy: -317.356353 where: bonds (distance) C4'-P energy: -77.834 bonds (distance) P-C4' energy: -49.578 flat angles C4'-P-C4' energy: -75.498 flat angles P-C4'-P energy: -44.249 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: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -913.857560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.857560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.857560 (E_RNA) where: Base-Base interactions energy: -618.125 where: short stacking energy: -267.860 Base-Backbone interact. energy: -0.783 local terms energy: -294.948914 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -63.497 flat angles P-C4'-P energy: -38.402 tors. eta vs tors. theta energy: -73.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -502.234932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.234932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.234932 (E_RNA) where: Base-Base interactions energy: -239.203 where: short stacking energy: -136.013 Base-Backbone interact. energy: -0.169 local terms energy: -262.862779 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -64.767 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -19.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -485.260934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.260934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.260934 (E_RNA) where: Base-Base interactions energy: -256.686 where: short stacking energy: -133.577 Base-Backbone interact. energy: 2.522 local terms energy: -231.097038 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -47.525 flat angles C4'-P-C4' energy: -60.315 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -347.676220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.676220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.676220 (E_RNA) where: Base-Base interactions energy: -154.072 where: short stacking energy: -96.715 Base-Backbone interact. energy: -0.374 local terms energy: -193.230517 where: bonds (distance) C4'-P energy: -67.446 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -43.917 flat angles P-C4'-P energy: -23.636 tors. eta vs tors. theta energy: 7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1253.586526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.586526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.586526 (E_RNA) where: Base-Base interactions energy: -872.548 where: short stacking energy: -369.260 Base-Backbone interact. energy: -2.092 local terms energy: -378.947241 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -54.076 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: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1197.787320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.787320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.787320 (E_RNA) where: Base-Base interactions energy: -837.869 where: short stacking energy: -371.906 Base-Backbone interact. energy: 1.797 local terms energy: -361.715945 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -71.284 flat angles C4'-P-C4' energy: -73.543 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -104.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1150.312220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.312220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.312220 (E_RNA) where: Base-Base interactions energy: -796.667 where: short stacking energy: -318.198 Base-Backbone interact. energy: -1.283 local terms energy: -352.361982 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -53.224 tors. eta vs tors. theta energy: -90.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1071.356683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.356683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.356683 (E_RNA) where: Base-Base interactions energy: -722.301 where: short stacking energy: -329.290 Base-Backbone interact. energy: -1.992 local terms energy: -347.064075 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -93.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1013.890964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.890964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.890964 (E_RNA) where: Base-Base interactions energy: -658.484 where: short stacking energy: -292.208 Base-Backbone interact. energy: -1.148 local terms energy: -354.258991 where: bonds (distance) C4'-P energy: -62.080 bonds (distance) P-C4' energy: -75.034 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -91.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -934.253621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.253621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.253621 (E_RNA) where: Base-Base interactions energy: -610.526 where: short stacking energy: -261.057 Base-Backbone interact. energy: -1.352 local terms energy: -322.375794 where: bonds (distance) C4'-P energy: -57.271 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -68.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -885.903649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.903649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.903649 (E_RNA) where: Base-Base interactions energy: -595.185 where: short stacking energy: -238.445 Base-Backbone interact. energy: -5.253 local terms energy: -285.465280 where: bonds (distance) C4'-P energy: -55.132 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -61.291 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -67.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -498.953009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.953009 (E_RNA) where: Base-Base interactions energy: -244.264 where: short stacking energy: -146.338 Base-Backbone interact. energy: -0.726 local terms energy: -253.963305 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -63.738 flat angles C4'-P-C4' energy: -61.871 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -25.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -485.565081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.565081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.565081 (E_RNA) where: Base-Base interactions energy: -259.167 where: short stacking energy: -157.142 Base-Backbone interact. energy: -0.663 local terms energy: -225.735153 where: bonds (distance) C4'-P energy: -42.548 bonds (distance) P-C4' energy: -67.754 flat angles C4'-P-C4' energy: -60.184 flat angles P-C4'-P energy: -30.589 tors. eta vs tors. theta energy: -24.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -339.619987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.619987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.619987 (E_RNA) where: Base-Base interactions energy: -151.553 where: short stacking energy: -87.947 Base-Backbone interact. energy: -1.700 local terms energy: -186.366376 where: bonds (distance) C4'-P energy: -65.456 bonds (distance) P-C4' energy: -69.591 flat angles C4'-P-C4' energy: -35.011 flat angles P-C4'-P energy: -19.940 tors. eta vs tors. theta energy: 3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1258.445867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.445867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.445867 (E_RNA) where: Base-Base interactions energy: -868.452 where: short stacking energy: -372.578 Base-Backbone interact. energy: 0.031 local terms energy: -390.024967 where: bonds (distance) C4'-P energy: -71.160 bonds (distance) P-C4' energy: -77.719 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -109.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1215.957776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.957776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.957776 (E_RNA) where: Base-Base interactions energy: -844.477 where: short stacking energy: -351.917 Base-Backbone interact. energy: -0.644 local terms energy: -370.836794 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -79.994 flat angles P-C4'-P energy: -50.482 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1170.462862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.462862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.462862 (E_RNA) where: Base-Base interactions energy: -827.765 where: short stacking energy: -329.090 Base-Backbone interact. energy: -1.100 local terms energy: -341.598029 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -62.996 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -46.050 tors. eta vs tors. theta energy: -91.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1046.000503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.000503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.000503 (E_RNA) where: Base-Base interactions energy: -703.004 where: short stacking energy: -294.068 Base-Backbone interact. energy: -1.003 local terms energy: -341.993289 where: bonds (distance) C4'-P energy: -69.448 bonds (distance) P-C4' energy: -61.844 flat angles C4'-P-C4' energy: -78.473 flat angles P-C4'-P energy: -48.358 tors. eta vs tors. theta energy: -83.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1021.016571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.016571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.016571 (E_RNA) where: Base-Base interactions energy: -660.568 where: short stacking energy: -298.340 Base-Backbone interact. energy: -0.913 local terms energy: -359.534942 where: bonds (distance) C4'-P energy: -65.089 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -57.845 tors. eta vs tors. theta energy: -90.386 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: 461 Temperature: 1.150000 Total energy: -920.231122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.231122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.231122 (E_RNA) where: Base-Base interactions energy: -612.357 where: short stacking energy: -250.198 Base-Backbone interact. energy: 0.617 local terms energy: -308.490995 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -64.579 flat angles C4'-P-C4' energy: -62.892 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -71.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -877.414557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.414557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.414557 (E_RNA) where: Base-Base interactions energy: -566.299 where: short stacking energy: -236.670 Base-Backbone interact. energy: -0.438 local terms energy: -310.677250 where: bonds (distance) C4'-P energy: -66.355 bonds (distance) P-C4' energy: -62.875 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -56.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -492.615937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.615937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.615937 (E_RNA) where: Base-Base interactions energy: -275.428 where: short stacking energy: -140.129 Base-Backbone interact. energy: -1.394 local terms energy: -215.794016 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -53.187 flat angles C4'-P-C4' energy: -57.467 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -480.300213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.300213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.300213 (E_RNA) where: Base-Base interactions energy: -242.801 where: short stacking energy: -128.897 Base-Backbone interact. energy: 0.678 local terms energy: -238.177768 where: bonds (distance) C4'-P energy: -53.632 bonds (distance) P-C4' energy: -69.505 flat angles C4'-P-C4' energy: -60.104 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -21.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -344.161336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.161336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.161336 (E_RNA) where: Base-Base interactions energy: -138.839 where: short stacking energy: -85.111 Base-Backbone interact. energy: 0.500 local terms energy: -205.822259 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -68.404 flat angles C4'-P-C4' energy: -50.541 flat angles P-C4'-P energy: -33.560 tors. eta vs tors. theta energy: 10.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1255.212431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.212431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.212431 (E_RNA) where: Base-Base interactions energy: -869.252 where: short stacking energy: -362.901 Base-Backbone interact. energy: -1.861 local terms energy: -384.099632 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -107.269 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: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1216.710444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.710444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.710444 (E_RNA) where: Base-Base interactions energy: -837.651 where: short stacking energy: -365.562 Base-Backbone interact. energy: -0.245 local terms energy: -378.814542 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -73.819 flat angles C4'-P-C4' energy: -77.135 flat angles P-C4'-P energy: -59.277 tors. eta vs tors. theta energy: -106.232 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: 462 Temperature: 1.000000 Total energy: -1148.401242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.401242 (E_RNA) where: Base-Base interactions energy: -783.276 where: short stacking energy: -317.750 Base-Backbone interact. energy: -0.442 local terms energy: -364.683410 where: bonds (distance) C4'-P energy: -70.754 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -73.977 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -89.451 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: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1045.923068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.923068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.923068 (E_RNA) where: Base-Base interactions energy: -691.459 where: short stacking energy: -303.414 Base-Backbone interact. energy: -0.648 local terms energy: -353.815653 where: bonds (distance) C4'-P energy: -69.779 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -84.720 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: -97.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1016.972303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.972303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.972303 (E_RNA) where: Base-Base interactions energy: -674.761 where: short stacking energy: -294.146 Base-Backbone interact. energy: 1.218 local terms energy: -343.429669 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -69.472 flat angles C4'-P-C4' energy: -71.678 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -89.955 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: 462 Temperature: 1.150000 Total energy: -894.015187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.015187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.015187 (E_RNA) where: Base-Base interactions energy: -600.736 where: short stacking energy: -255.506 Base-Backbone interact. energy: -1.317 local terms energy: -291.962215 where: bonds (distance) C4'-P energy: -59.941 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -73.003 flat angles P-C4'-P energy: -39.762 tors. eta vs tors. theta energy: -61.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -871.447673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.447673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.447673 (E_RNA) where: Base-Base interactions energy: -575.122 where: short stacking energy: -256.832 Base-Backbone interact. energy: -2.356 local terms energy: -293.969768 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -38.209 tors. eta vs tors. theta energy: -62.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -512.301532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.301532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.301532 (E_RNA) where: Base-Base interactions energy: -264.383 where: short stacking energy: -134.299 Base-Backbone interact. energy: -1.313 local terms energy: -246.604827 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -55.521 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -11.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -472.965501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.965501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.965501 (E_RNA) where: Base-Base interactions energy: -248.978 where: short stacking energy: -128.063 Base-Backbone interact. energy: 0.970 local terms energy: -224.956832 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -48.657 flat angles P-C4'-P energy: -37.302 tors. eta vs tors. theta energy: -14.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -374.992121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.992121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.992121 (E_RNA) where: Base-Base interactions energy: -182.332 where: short stacking energy: -96.924 Base-Backbone interact. energy: 3.993 local terms energy: -196.654033 where: bonds (distance) C4'-P energy: -46.300 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -46.970 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: 2.725 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: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1263.169235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.169235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.169235 (E_RNA) where: Base-Base interactions energy: -868.865 where: short stacking energy: -361.004 Base-Backbone interact. energy: 3.881 local terms energy: -398.184653 where: bonds (distance) C4'-P energy: -69.262 bonds (distance) P-C4' energy: -77.066 flat angles C4'-P-C4' energy: -84.750 flat angles P-C4'-P energy: -59.476 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: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1223.306907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.306907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.306907 (E_RNA) where: Base-Base interactions energy: -847.737 where: short stacking energy: -379.583 Base-Backbone interact. energy: 0.731 local terms energy: -376.301303 where: bonds (distance) C4'-P energy: -70.589 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -80.357 flat angles P-C4'-P energy: -53.862 tors. eta vs tors. theta energy: -111.376 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: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1150.673216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.673216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.673216 (E_RNA) where: Base-Base interactions energy: -808.698 where: short stacking energy: -304.478 Base-Backbone interact. energy: -0.431 local terms energy: -341.543905 where: bonds (distance) C4'-P energy: -65.457 bonds (distance) P-C4' energy: -71.048 flat angles C4'-P-C4' energy: -68.248 flat angles P-C4'-P energy: -47.370 tors. eta vs tors. theta energy: -89.422 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: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1075.770602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.770602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.770602 (E_RNA) where: Base-Base interactions energy: -727.947 where: short stacking energy: -329.545 Base-Backbone interact. energy: -1.606 local terms energy: -346.217759 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -78.402 flat angles P-C4'-P energy: -45.121 tors. eta vs tors. theta energy: -95.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1029.982185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.982185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.982185 (E_RNA) where: Base-Base interactions energy: -680.516 where: short stacking energy: -305.453 Base-Backbone interact. energy: 1.909 local terms energy: -351.375305 where: bonds (distance) C4'-P energy: -56.899 bonds (distance) P-C4' energy: -72.852 flat angles C4'-P-C4' energy: -77.805 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -90.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -937.286462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.286462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.286462 (E_RNA) where: Base-Base interactions energy: -625.492 where: short stacking energy: -273.603 Base-Backbone interact. energy: 1.770 local terms energy: -313.564469 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -72.488 flat angles C4'-P-C4' energy: -68.240 flat angles P-C4'-P energy: -45.656 tors. eta vs tors. theta energy: -67.310 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: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -897.186688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.186688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.186688 (E_RNA) where: Base-Base interactions energy: -594.371 where: short stacking energy: -254.937 Base-Backbone interact. energy: 0.072 local terms energy: -302.887060 where: bonds (distance) C4'-P energy: -61.917 bonds (distance) P-C4' energy: -54.811 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -42.428 tors. eta vs tors. theta energy: -71.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -508.489743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.489743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.489743 (E_RNA) where: Base-Base interactions energy: -269.598 where: short stacking energy: -150.986 Base-Backbone interact. energy: 0.462 local terms energy: -239.353614 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -65.488 flat angles C4'-P-C4' energy: -55.649 flat angles P-C4'-P energy: -34.883 tors. eta vs tors. theta energy: -20.124 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: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -405.934351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.934351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.934351 (E_RNA) where: Base-Base interactions energy: -177.070 where: short stacking energy: -93.101 Base-Backbone interact. energy: -2.463 local terms energy: -226.401660 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -66.790 flat angles C4'-P-C4' energy: -62.976 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: 7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -363.638332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.638332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.638332 (E_RNA) where: Base-Base interactions energy: -151.143 where: short stacking energy: -87.070 Base-Backbone interact. energy: -0.267 local terms energy: -212.228297 where: bonds (distance) C4'-P energy: -70.476 bonds (distance) P-C4' energy: -64.805 flat angles C4'-P-C4' energy: -57.859 flat angles P-C4'-P energy: -36.504 tors. eta vs tors. theta energy: 17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1258.748314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.748314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.748314 (E_RNA) where: Base-Base interactions energy: -869.543 where: short stacking energy: -354.339 Base-Backbone interact. energy: -1.013 local terms energy: -388.191714 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -81.664 flat angles P-C4'-P energy: -58.232 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1242.051935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.051935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.051935 (E_RNA) where: Base-Base interactions energy: -857.716 where: short stacking energy: -357.639 Base-Backbone interact. energy: -0.797 local terms energy: -383.538534 where: bonds (distance) C4'-P energy: -72.512 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -86.208 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -111.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1154.271888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.271888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.271888 (E_RNA) where: Base-Base interactions energy: -807.214 where: short stacking energy: -321.775 Base-Backbone interact. energy: 1.815 local terms energy: -348.873652 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -52.637 tors. eta vs tors. theta energy: -85.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1077.265753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.265753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.265753 (E_RNA) where: Base-Base interactions energy: -727.236 where: short stacking energy: -333.248 Base-Backbone interact. energy: -1.843 local terms energy: -348.186257 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -57.536 flat angles C4'-P-C4' energy: -79.606 flat angles P-C4'-P energy: -47.992 tors. eta vs tors. theta energy: -101.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1038.759544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.759544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.759544 (E_RNA) where: Base-Base interactions energy: -689.101 where: short stacking energy: -306.064 Base-Backbone interact. energy: -1.155 local terms energy: -348.504144 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -67.044 flat angles C4'-P-C4' energy: -78.592 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -97.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -921.044953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.044953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.044953 (E_RNA) where: Base-Base interactions energy: -611.789 where: short stacking energy: -271.768 Base-Backbone interact. energy: 1.032 local terms energy: -310.288405 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -62.077 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -53.014 tors. eta vs tors. theta energy: -66.416 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: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -882.967302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.967302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.967302 (E_RNA) where: Base-Base interactions energy: -578.245 where: short stacking energy: -253.324 Base-Backbone interact. energy: -1.455 local terms energy: -303.266496 where: bonds (distance) C4'-P energy: -52.105 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -74.006 flat angles P-C4'-P energy: -50.611 tors. eta vs tors. theta energy: -65.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -506.435661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.435661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.435661 (E_RNA) where: Base-Base interactions energy: -276.485 where: short stacking energy: -138.981 Base-Backbone interact. energy: -0.757 local terms energy: -229.192946 where: bonds (distance) C4'-P energy: -60.424 bonds (distance) P-C4' energy: -62.555 flat angles C4'-P-C4' energy: -61.294 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -372.238321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.238321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.238321 (E_RNA) where: Base-Base interactions energy: -154.337 where: short stacking energy: -92.224 Base-Backbone interact. energy: 1.668 local terms energy: -219.570242 where: bonds (distance) C4'-P energy: -60.936 bonds (distance) P-C4' energy: -66.345 flat angles C4'-P-C4' energy: -49.776 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: 4.921 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: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -386.263041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.263041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.263041 (E_RNA) where: Base-Base interactions energy: -172.418 where: short stacking energy: -108.263 Base-Backbone interact. energy: 0.450 local terms energy: -214.294492 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -48.145 flat angles P-C4'-P energy: -35.721 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1258.265245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.265245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.265245 (E_RNA) where: Base-Base interactions energy: -861.442 where: short stacking energy: -377.443 Base-Backbone interact. energy: -0.593 local terms energy: -396.230462 where: bonds (distance) C4'-P energy: -77.238 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1201.243405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.243405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.243405 (E_RNA) where: Base-Base interactions energy: -816.657 where: short stacking energy: -344.056 Base-Backbone interact. energy: -2.217 local terms energy: -382.369946 where: bonds (distance) C4'-P energy: -74.478 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -109.461 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: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1150.267935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.267935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.267935 (E_RNA) where: Base-Base interactions energy: -812.420 where: short stacking energy: -313.851 Base-Backbone interact. energy: -0.294 local terms energy: -337.553952 where: bonds (distance) C4'-P energy: -53.586 bonds (distance) P-C4' energy: -70.962 flat angles C4'-P-C4' energy: -80.913 flat angles P-C4'-P energy: -48.673 tors. eta vs tors. theta energy: -83.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1075.785122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.785122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.785122 (E_RNA) where: Base-Base interactions energy: -714.299 where: short stacking energy: -307.623 Base-Backbone interact. energy: -2.944 local terms energy: -358.541598 where: bonds (distance) C4'-P energy: -67.910 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -84.165 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -86.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1034.568437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.568437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.568437 (E_RNA) where: Base-Base interactions energy: -692.590 where: short stacking energy: -322.342 Base-Backbone interact. energy: -2.032 local terms energy: -339.946423 where: bonds (distance) C4'-P energy: -55.156 bonds (distance) P-C4' energy: -67.081 flat angles C4'-P-C4' energy: -69.500 flat angles P-C4'-P energy: -48.886 tors. eta vs tors. theta energy: -99.324 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: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -964.043903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.043903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.043903 (E_RNA) where: Base-Base interactions energy: -635.439 where: short stacking energy: -284.155 Base-Backbone interact. energy: -0.175 local terms energy: -328.429664 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -65.152 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -51.182 tors. eta vs tors. theta energy: -71.651 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: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -886.138273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.138273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.138273 (E_RNA) where: Base-Base interactions energy: -595.265 where: short stacking energy: -247.487 Base-Backbone interact. energy: 9.234 local terms energy: -300.106714 where: bonds (distance) C4'-P energy: -60.389 bonds (distance) P-C4' energy: -56.624 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: -71.465 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: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -518.655473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.655473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.655473 (E_RNA) where: Base-Base interactions energy: -279.488 where: short stacking energy: -170.506 Base-Backbone interact. energy: -1.120 local terms energy: -238.047429 where: bonds (distance) C4'-P energy: -52.841 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -54.114 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -27.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -367.421892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.421892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.421892 (E_RNA) where: Base-Base interactions energy: -160.759 where: short stacking energy: -105.275 Base-Backbone interact. energy: 1.527 local terms energy: -208.190024 where: bonds (distance) C4'-P energy: -67.142 bonds (distance) P-C4' energy: -55.833 flat angles C4'-P-C4' energy: -55.815 flat angles P-C4'-P energy: -30.802 tors. eta vs tors. theta energy: 1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -426.154917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.154917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.154917 (E_RNA) where: Base-Base interactions energy: -215.235 where: short stacking energy: -100.207 Base-Backbone interact. energy: 0.817 local terms energy: -211.737022 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -52.180 flat angles P-C4'-P energy: -32.133 tors. eta vs tors. theta energy: -3.532 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: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1267.382984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.382984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.382984 (E_RNA) where: Base-Base interactions energy: -865.203 where: short stacking energy: -364.500 Base-Backbone interact. energy: -0.934 local terms energy: -401.246699 where: bonds (distance) C4'-P energy: -73.799 bonds (distance) P-C4' energy: -82.586 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -105.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1236.029092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.029092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.029092 (E_RNA) where: Base-Base interactions energy: -849.188 where: short stacking energy: -350.591 Base-Backbone interact. energy: -3.715 local terms energy: -383.125934 where: bonds (distance) C4'-P energy: -72.948 bonds (distance) P-C4' energy: -65.688 flat angles C4'-P-C4' energy: -81.567 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -108.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1150.718457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.718457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.718457 (E_RNA) where: Base-Base interactions energy: -790.169 where: short stacking energy: -317.912 Base-Backbone interact. energy: -3.482 local terms energy: -357.067775 where: bonds (distance) C4'-P energy: -71.721 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -82.423 flat angles P-C4'-P energy: -52.996 tors. eta vs tors. theta energy: -84.068 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: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1088.942240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.942240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.942240 (E_RNA) where: Base-Base interactions energy: -716.278 where: short stacking energy: -313.081 Base-Backbone interact. energy: -4.417 local terms energy: -368.247671 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -78.664 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: -97.399 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: 466 Temperature: 1.100000 Total energy: -1044.059668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.059668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.059668 (E_RNA) where: Base-Base interactions energy: -679.384 where: short stacking energy: -308.586 Base-Backbone interact. energy: -0.688 local terms energy: -363.987189 where: bonds (distance) C4'-P energy: -67.796 bonds (distance) P-C4' energy: -73.096 flat angles C4'-P-C4' energy: -84.876 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -93.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -939.378373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.378373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.378373 (E_RNA) where: Base-Base interactions energy: -609.723 where: short stacking energy: -261.628 Base-Backbone interact. energy: -1.492 local terms energy: -328.163196 where: bonds (distance) C4'-P energy: -70.788 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -76.010 flat angles P-C4'-P energy: -34.300 tors. eta vs tors. theta energy: -67.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -904.429315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.429315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.429315 (E_RNA) where: Base-Base interactions energy: -596.920 where: short stacking energy: -266.175 Base-Backbone interact. energy: -1.559 local terms energy: -305.949873 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -31.817 tors. eta vs tors. theta energy: -78.351 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: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -505.490846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.490846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.490846 (E_RNA) where: Base-Base interactions energy: -265.756 where: short stacking energy: -154.399 Base-Backbone interact. energy: 0.848 local terms energy: -240.582900 where: bonds (distance) C4'-P energy: -50.100 bonds (distance) P-C4' energy: -67.831 flat angles C4'-P-C4' energy: -59.860 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -16.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -457.309468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.309468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.309468 (E_RNA) where: Base-Base interactions energy: -236.326 where: short stacking energy: -125.052 Base-Backbone interact. energy: 1.700 local terms energy: -222.683600 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -59.867 flat angles C4'-P-C4' energy: -54.475 flat angles P-C4'-P energy: -33.934 tors. eta vs tors. theta energy: -16.157 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: 466 Temperature: 1.350000 Total energy: -344.409625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.409625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.409625 (E_RNA) where: Base-Base interactions energy: -143.895 where: short stacking energy: -86.449 Base-Backbone interact. energy: -0.864 local terms energy: -199.650017 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -68.911 flat angles C4'-P-C4' energy: -56.366 flat angles P-C4'-P energy: -28.635 tors. eta vs tors. theta energy: 4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1256.459176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.459176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.459176 (E_RNA) where: Base-Base interactions energy: -865.009 where: short stacking energy: -358.297 Base-Backbone interact. energy: -1.398 local terms energy: -390.051970 where: bonds (distance) C4'-P energy: -76.402 bonds (distance) P-C4' energy: -68.413 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -52.039 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: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1238.549816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.549816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.549816 (E_RNA) where: Base-Base interactions energy: -850.863 where: short stacking energy: -357.217 Base-Backbone interact. energy: -0.543 local terms energy: -387.144020 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -63.966 flat angles C4'-P-C4' energy: -85.901 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -106.968 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: 467 Temperature: 1.000000 Total energy: -1121.653175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.653175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.653175 (E_RNA) where: Base-Base interactions energy: -786.035 where: short stacking energy: -299.692 Base-Backbone interact. energy: -2.009 local terms energy: -333.608892 where: bonds (distance) C4'-P energy: -66.556 bonds (distance) P-C4' energy: -55.959 flat angles C4'-P-C4' energy: -70.239 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -89.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1058.476363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.476363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.476363 (E_RNA) where: Base-Base interactions energy: -693.724 where: short stacking energy: -323.276 Base-Backbone interact. energy: -0.214 local terms energy: -364.538211 where: bonds (distance) C4'-P energy: -50.668 bonds (distance) P-C4' energy: -73.450 flat angles C4'-P-C4' energy: -81.963 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -109.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1062.392411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.392411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.392411 (E_RNA) where: Base-Base interactions energy: -731.482 where: short stacking energy: -321.796 Base-Backbone interact. energy: 0.994 local terms energy: -331.904178 where: bonds (distance) C4'-P energy: -51.037 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -70.561 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -96.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -923.371346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.371346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.371346 (E_RNA) where: Base-Base interactions energy: -613.188 where: short stacking energy: -273.488 Base-Backbone interact. energy: 0.795 local terms energy: -310.977933 where: bonds (distance) C4'-P energy: -60.993 bonds (distance) P-C4' energy: -65.380 flat angles C4'-P-C4' energy: -75.616 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -70.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -860.304883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.304883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.304883 (E_RNA) where: Base-Base interactions energy: -557.065 where: short stacking energy: -236.270 Base-Backbone interact. energy: -0.780 local terms energy: -302.460261 where: bonds (distance) C4'-P energy: -65.504 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -68.195 flat angles P-C4'-P energy: -35.547 tors. eta vs tors. theta energy: -61.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -489.313738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.313738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.313738 (E_RNA) where: Base-Base interactions energy: -245.394 where: short stacking energy: -136.545 Base-Backbone interact. energy: -1.212 local terms energy: -242.707554 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -54.602 flat angles C4'-P-C4' energy: -64.830 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -18.959 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: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -490.146115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.146115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.146115 (E_RNA) where: Base-Base interactions energy: -249.186 where: short stacking energy: -133.610 Base-Backbone interact. energy: -0.904 local terms energy: -240.055486 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -66.468 flat angles C4'-P-C4' energy: -64.399 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -350.080464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.080464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.080464 (E_RNA) where: Base-Base interactions energy: -150.413 where: short stacking energy: -97.871 Base-Backbone interact. energy: 2.372 local terms energy: -202.038767 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -54.000 flat angles P-C4'-P energy: -26.511 tors. eta vs tors. theta energy: 11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1248.136042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.136042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.136042 (E_RNA) where: Base-Base interactions energy: -863.723 where: short stacking energy: -376.075 Base-Backbone interact. energy: -2.023 local terms energy: -382.389774 where: bonds (distance) C4'-P energy: -70.535 bonds (distance) P-C4' energy: -74.199 flat angles C4'-P-C4' energy: -76.420 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -111.874 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: 468 Temperature: 0.950000 Total energy: -1230.366738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.366738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.366738 (E_RNA) where: Base-Base interactions energy: -837.561 where: short stacking energy: -355.892 Base-Backbone interact. energy: -3.003 local terms energy: -389.803617 where: bonds (distance) C4'-P energy: -69.958 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -57.729 tors. eta vs tors. theta energy: -108.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1145.844141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.844141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.844141 (E_RNA) where: Base-Base interactions energy: -792.995 where: short stacking energy: -324.554 Base-Backbone interact. energy: -1.692 local terms energy: -351.156634 where: bonds (distance) C4'-P energy: -74.720 bonds (distance) P-C4' energy: -66.843 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -85.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1061.197193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.197193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.197193 (E_RNA) where: Base-Base interactions energy: -699.075 where: short stacking energy: -311.042 Base-Backbone interact. energy: -0.444 local terms energy: -361.678281 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -78.956 flat angles C4'-P-C4' energy: -80.024 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -101.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1062.418214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.418214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.418214 (E_RNA) where: Base-Base interactions energy: -711.833 where: short stacking energy: -300.269 Base-Backbone interact. energy: 0.160 local terms energy: -350.744576 where: bonds (distance) C4'-P energy: -70.707 bonds (distance) P-C4' energy: -69.385 flat angles C4'-P-C4' energy: -78.391 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -85.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -911.366679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.366679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.366679 (E_RNA) where: Base-Base interactions energy: -616.009 where: short stacking energy: -283.954 Base-Backbone interact. energy: -0.921 local terms energy: -294.436358 where: bonds (distance) C4'-P energy: -47.972 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -63.716 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -74.214 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: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -867.979664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.979664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.979664 (E_RNA) where: Base-Base interactions energy: -581.767 where: short stacking energy: -250.139 Base-Backbone interact. energy: -0.714 local terms energy: -285.499133 where: bonds (distance) C4'-P energy: -65.343 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -62.832 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -59.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -512.545265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.545265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.545265 (E_RNA) where: Base-Base interactions energy: -288.056 where: short stacking energy: -141.146 Base-Backbone interact. energy: -1.147 local terms energy: -223.342068 where: bonds (distance) C4'-P energy: -62.350 bonds (distance) P-C4' energy: -56.010 flat angles C4'-P-C4' energy: -53.823 flat angles P-C4'-P energy: -30.950 tors. eta vs tors. theta energy: -20.210 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: 9, replica: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -457.988243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.988243 (E_RNA) where: Base-Base interactions energy: -239.005 where: short stacking energy: -128.664 Base-Backbone interact. energy: -0.872 local terms energy: -218.111084 where: bonds (distance) C4'-P energy: -67.853 bonds (distance) P-C4' energy: -48.963 flat angles C4'-P-C4' energy: -59.680 flat angles P-C4'-P energy: -43.233 tors. eta vs tors. theta energy: 1.617 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: 468 Temperature: 1.350000 Total energy: -358.890891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.890891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.890891 (E_RNA) where: Base-Base interactions energy: -153.196 where: short stacking energy: -107.013 Base-Backbone interact. energy: -1.370 local terms energy: -204.325193 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -65.656 flat angles C4'-P-C4' energy: -53.389 flat angles P-C4'-P energy: -43.132 tors. eta vs tors. theta energy: 18.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1269.059009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.059009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.059009 (E_RNA) where: Base-Base interactions energy: -870.315 where: short stacking energy: -381.302 Base-Backbone interact. energy: 1.702 local terms energy: -400.446294 where: bonds (distance) C4'-P energy: -70.311 bonds (distance) P-C4' energy: -81.631 flat angles C4'-P-C4' energy: -83.412 flat angles P-C4'-P energy: -53.001 tors. eta vs tors. theta energy: -112.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1226.802087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.802087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.802087 (E_RNA) where: Base-Base interactions energy: -840.901 where: short stacking energy: -356.831 Base-Backbone interact. energy: 1.911 local terms energy: -387.811718 where: bonds (distance) C4'-P energy: -72.618 bonds (distance) P-C4' energy: -67.645 flat angles C4'-P-C4' energy: -84.771 flat angles P-C4'-P energy: -51.695 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: 3, replica: 5 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1167.770529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.770529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.770529 (E_RNA) where: Base-Base interactions energy: -819.004 where: short stacking energy: -326.483 Base-Backbone interact. energy: -2.178 local terms energy: -346.588676 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -67.578 flat angles P-C4'-P energy: -58.958 tors. eta vs tors. theta energy: -88.847 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: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1053.767511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.767511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.767511 (E_RNA) where: Base-Base interactions energy: -698.381 where: short stacking energy: -319.290 Base-Backbone interact. energy: -2.700 local terms energy: -352.686274 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -71.951 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -95.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1046.582200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.582200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.582200 (E_RNA) where: Base-Base interactions energy: -710.282 where: short stacking energy: -309.160 Base-Backbone interact. energy: -0.956 local terms energy: -335.344017 where: bonds (distance) C4'-P energy: -61.588 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -87.222 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: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -897.372287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.372287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.372287 (E_RNA) where: Base-Base interactions energy: -584.376 where: short stacking energy: -268.686 Base-Backbone interact. energy: -1.646 local terms energy: -311.350056 where: bonds (distance) C4'-P energy: -50.132 bonds (distance) P-C4' energy: -78.752 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -72.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -847.387203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.387203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.387203 (E_RNA) where: Base-Base interactions energy: -576.903 where: short stacking energy: -223.249 Base-Backbone interact. energy: -1.006 local terms energy: -269.478160 where: bonds (distance) C4'-P energy: -46.841 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -63.078 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -43.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -519.695208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.695208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.695208 (E_RNA) where: Base-Base interactions energy: -282.490 where: short stacking energy: -141.436 Base-Backbone interact. energy: 1.475 local terms energy: -238.680448 where: bonds (distance) C4'-P energy: -73.312 bonds (distance) P-C4' energy: -58.436 flat angles C4'-P-C4' energy: -48.125 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: -11.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -461.169995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.169995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.169995 (E_RNA) where: Base-Base interactions energy: -240.210 where: short stacking energy: -125.413 Base-Backbone interact. energy: 5.404 local terms energy: -226.364259 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -66.232 flat angles C4'-P-C4' energy: -48.298 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -10.108 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: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -371.657101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.657101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.657101 (E_RNA) where: Base-Base interactions energy: -169.613 where: short stacking energy: -115.117 Base-Backbone interact. energy: 3.185 local terms energy: -205.228502 where: bonds (distance) C4'-P energy: -54.495 bonds (distance) P-C4' energy: -59.309 flat angles C4'-P-C4' energy: -51.103 flat angles P-C4'-P energy: -28.808 tors. eta vs tors. theta energy: -11.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1255.410118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.410118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.410118 (E_RNA) where: Base-Base interactions energy: -864.587 where: short stacking energy: -375.304 Base-Backbone interact. energy: -2.229 local terms energy: -388.594420 where: bonds (distance) C4'-P energy: -75.121 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -84.767 flat angles P-C4'-P energy: -54.630 tors. eta vs tors. theta energy: -109.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1216.398687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.398687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.398687 (E_RNA) where: Base-Base interactions energy: -836.734 where: short stacking energy: -356.218 Base-Backbone interact. energy: 0.164 local terms energy: -379.829365 where: bonds (distance) C4'-P energy: -73.855 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -80.081 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: -109.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1179.763895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.763895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.763895 (E_RNA) where: Base-Base interactions energy: -807.964 where: short stacking energy: -323.634 Base-Backbone interact. energy: -0.877 local terms energy: -370.923222 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -71.379 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: -90.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1125.302194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.302194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.302194 (E_RNA) where: Base-Base interactions energy: -749.488 where: short stacking energy: -334.248 Base-Backbone interact. energy: 0.780 local terms energy: -376.593304 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -68.254 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -53.328 tors. eta vs tors. theta energy: -108.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -930.309774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.309774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.309774 (E_RNA) where: Base-Base interactions energy: -607.906 where: short stacking energy: -265.113 Base-Backbone interact. energy: -0.796 local terms energy: -321.608303 where: bonds (distance) C4'-P energy: -49.680 bonds (distance) P-C4' energy: -73.129 flat angles C4'-P-C4' energy: -68.627 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -81.045 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: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -993.561345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.561345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.561345 (E_RNA) where: Base-Base interactions energy: -654.414 where: short stacking energy: -281.214 Base-Backbone interact. energy: -2.744 local terms energy: -336.403419 where: bonds (distance) C4'-P energy: -66.444 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -69.416 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -82.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -824.781001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.781001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.781001 (E_RNA) where: Base-Base interactions energy: -544.532 where: short stacking energy: -231.398 Base-Backbone interact. energy: -1.240 local terms energy: -279.008689 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -51.112 flat angles C4'-P-C4' energy: -60.340 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -50.554 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: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -481.570354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.570354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.570354 (E_RNA) where: Base-Base interactions energy: -242.050 where: short stacking energy: -131.460 Base-Backbone interact. energy: 1.176 local terms energy: -240.697143 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -60.399 flat angles P-C4'-P energy: -34.407 tors. eta vs tors. theta energy: -14.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -488.004391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.004391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.004391 (E_RNA) where: Base-Base interactions energy: -248.798 where: short stacking energy: -140.253 Base-Backbone interact. energy: -0.744 local terms energy: -238.462874 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -58.893 flat angles P-C4'-P energy: -36.448 tors. eta vs tors. theta energy: -14.942 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: 470 Temperature: 1.350000 Total energy: -359.570948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.570948 (E_RNA) where: Base-Base interactions energy: -168.264 where: short stacking energy: -91.905 Base-Backbone interact. energy: 0.697 local terms energy: -192.003051 where: bonds (distance) C4'-P energy: -66.726 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -40.220 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: 9.313 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: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1266.097014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.097014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.097014 (E_RNA) where: Base-Base interactions energy: -869.376 where: short stacking energy: -354.615 Base-Backbone interact. energy: -0.601 local terms energy: -396.120121 where: bonds (distance) C4'-P energy: -67.122 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -83.460 flat angles P-C4'-P energy: -63.051 tors. eta vs tors. theta energy: -104.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1224.071415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.071415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.071415 (E_RNA) where: Base-Base interactions energy: -837.975 where: short stacking energy: -362.786 Base-Backbone interact. energy: 5.242 local terms energy: -391.338220 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -78.469 flat angles P-C4'-P energy: -57.679 tors. eta vs tors. theta energy: -107.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1158.585681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.585681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.585681 (E_RNA) where: Base-Base interactions energy: -824.922 where: short stacking energy: -331.877 Base-Backbone interact. energy: -1.594 local terms energy: -332.069360 where: bonds (distance) C4'-P energy: -52.907 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -77.654 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -88.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1101.930091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.930091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.930091 (E_RNA) where: Base-Base interactions energy: -724.193 where: short stacking energy: -337.249 Base-Backbone interact. energy: -0.109 local terms energy: -377.628028 where: bonds (distance) C4'-P energy: -72.847 bonds (distance) P-C4' energy: -68.020 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -105.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -966.291290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.291290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.291290 (E_RNA) where: Base-Base interactions energy: -648.827 where: short stacking energy: -281.653 Base-Backbone interact. energy: -1.178 local terms energy: -316.285514 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -72.752 flat angles P-C4'-P energy: -37.565 tors. eta vs tors. theta energy: -79.370 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: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -972.628256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.628256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.628256 (E_RNA) where: Base-Base interactions energy: -648.479 where: short stacking energy: -283.945 Base-Backbone interact. energy: -2.915 local terms energy: -321.234136 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -61.120 flat angles C4'-P-C4' energy: -65.845 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -77.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -861.283150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.283150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.283150 (E_RNA) where: Base-Base interactions energy: -577.126 where: short stacking energy: -246.059 Base-Backbone interact. energy: -0.656 local terms energy: -283.500303 where: bonds (distance) C4'-P energy: -54.265 bonds (distance) P-C4' energy: -57.202 flat angles C4'-P-C4' energy: -62.091 flat angles P-C4'-P energy: -43.149 tors. eta vs tors. theta energy: -66.794 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: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -505.274899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.274899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.274899 (E_RNA) where: Base-Base interactions energy: -256.865 where: short stacking energy: -138.153 Base-Backbone interact. energy: -1.343 local terms energy: -247.067247 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -61.257 flat angles P-C4'-P energy: -35.587 tors. eta vs tors. theta energy: -25.751 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: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -489.309628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.309628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.309628 (E_RNA) where: Base-Base interactions energy: -246.002 where: short stacking energy: -137.800 Base-Backbone interact. energy: 0.299 local terms energy: -243.607267 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -53.263 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -24.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -372.977544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.977544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.977544 (E_RNA) where: Base-Base interactions energy: -168.991 where: short stacking energy: -104.381 Base-Backbone interact. energy: 1.605 local terms energy: -205.591257 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -62.837 flat angles C4'-P-C4' energy: -58.350 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: 12.499 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: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1284.475552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.475552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.475552 (E_RNA) where: Base-Base interactions energy: -876.761 where: short stacking energy: -373.394 Base-Backbone interact. energy: -1.089 local terms energy: -406.626161 where: bonds (distance) C4'-P energy: -68.950 bonds (distance) P-C4' energy: -81.425 flat angles C4'-P-C4' energy: -83.841 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: -114.760 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: 472 Temperature: 0.950000 Total energy: -1219.356469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.356469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.356469 (E_RNA) where: Base-Base interactions energy: -829.531 where: short stacking energy: -350.737 Base-Backbone interact. energy: -2.424 local terms energy: -387.401662 where: bonds (distance) C4'-P energy: -69.067 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -83.026 flat angles P-C4'-P energy: -52.005 tors. eta vs tors. theta energy: -101.623 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: 3, replica: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1137.931759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.931759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.931759 (E_RNA) where: Base-Base interactions energy: -797.294 where: short stacking energy: -313.186 Base-Backbone interact. energy: 0.116 local terms energy: -340.754173 where: bonds (distance) C4'-P energy: -77.011 bonds (distance) P-C4' energy: -63.715 flat angles C4'-P-C4' energy: -69.652 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: -85.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1088.593819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.593819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.593819 (E_RNA) where: Base-Base interactions energy: -727.078 where: short stacking energy: -325.472 Base-Backbone interact. energy: 1.376 local terms energy: -362.892121 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -72.342 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -105.243 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: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1012.295612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.295612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.295612 (E_RNA) where: Base-Base interactions energy: -676.307 where: short stacking energy: -279.518 Base-Backbone interact. energy: 1.215 local terms energy: -337.203189 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -81.229 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: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -924.736170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.736170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.736170 (E_RNA) where: Base-Base interactions energy: -606.006 where: short stacking energy: -268.298 Base-Backbone interact. energy: -0.975 local terms energy: -317.754941 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -64.680 flat angles C4'-P-C4' energy: -73.522 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -75.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -899.660193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.660193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.660193 (E_RNA) where: Base-Base interactions energy: -582.387 where: short stacking energy: -252.302 Base-Backbone interact. energy: -0.204 local terms energy: -317.069382 where: bonds (distance) C4'-P energy: -66.880 bonds (distance) P-C4' energy: -65.823 flat angles C4'-P-C4' energy: -57.497 flat angles P-C4'-P energy: -59.355 tors. eta vs tors. theta energy: -67.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -488.369373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.369373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.369373 (E_RNA) where: Base-Base interactions energy: -264.346 where: short stacking energy: -122.602 Base-Backbone interact. energy: 0.754 local terms energy: -224.777380 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -66.534 flat angles C4'-P-C4' energy: -58.294 flat angles P-C4'-P energy: -34.081 tors. eta vs tors. theta energy: -17.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -395.105438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.105438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.105438 (E_RNA) where: Base-Base interactions energy: -177.451 where: short stacking energy: -92.616 Base-Backbone interact. energy: -1.914 local terms energy: -215.740282 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -66.544 flat angles P-C4'-P energy: -15.773 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -413.470915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.470915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.470915 (E_RNA) where: Base-Base interactions energy: -196.634 where: short stacking energy: -111.616 Base-Backbone interact. energy: -2.073 local terms energy: -214.763888 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -54.153 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -21.160 tors. eta vs tors. theta energy: -11.235 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) out arg RESULTS//1/test-85026650_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE