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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-baa698ca/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-baa698ca/inputs/seq.fa: 1 curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG 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 247 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: 1240 n_atoms_counter: 1240 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792804 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -961.278512 where: bonds (distance) C4'-P energy: -239.980 bonds (distance) P-C4' energy: -221.874 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -207.449 tors. eta vs tors. theta energy: -110.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1143.732829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.732829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.732829 (E_RNA) where: Base-Base interactions energy: -444.748 where: short stacking energy: -433.366 Base-Backbone interact. energy: -0.101 local terms energy: -698.883573 where: bonds (distance) C4'-P energy: -162.360 bonds (distance) P-C4' energy: -163.986 flat angles C4'-P-C4' energy: -160.643 flat angles P-C4'-P energy: -91.823 tors. eta vs tors. theta energy: -120.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1080.901916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.901916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.901916 (E_RNA) where: Base-Base interactions energy: -421.921 where: short stacking energy: -421.921 Base-Backbone interact. energy: -0.099 local terms energy: -658.881905 where: bonds (distance) C4'-P energy: -154.569 bonds (distance) P-C4' energy: -151.864 flat angles C4'-P-C4' energy: -153.283 flat angles P-C4'-P energy: -99.007 tors. eta vs tors. theta energy: -100.160 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: 2 Temperature: 1.000000 Total energy: -1025.584150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.584150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.584150 (E_RNA) where: Base-Base interactions energy: -314.364 where: short stacking energy: -314.364 Base-Backbone interact. energy: -0.002 local terms energy: -711.217769 where: bonds (distance) C4'-P energy: -156.448 bonds (distance) P-C4' energy: -156.366 flat angles C4'-P-C4' energy: -156.211 flat angles P-C4'-P energy: -138.114 tors. eta vs tors. theta energy: -104.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -987.684317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.684317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.684317 (E_RNA) where: Base-Base interactions energy: -42.034 where: short stacking energy: -42.034 Base-Backbone interact. energy: -0.000 local terms energy: -945.650518 where: bonds (distance) C4'-P energy: -227.808 bonds (distance) P-C4' energy: -215.411 flat angles C4'-P-C4' energy: -181.866 flat angles P-C4'-P energy: -205.179 tors. eta vs tors. theta energy: -115.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -981.452648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.452648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.452648 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -960.938356 where: bonds (distance) C4'-P energy: -239.864 bonds (distance) P-C4' energy: -221.867 flat angles C4'-P-C4' energy: -181.057 flat angles P-C4'-P energy: -207.375 tors. eta vs tors. theta energy: -110.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -988.498867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.498867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.498867 (E_RNA) where: Base-Base interactions energy: -152.713 where: short stacking energy: -152.713 Base-Backbone interact. energy: -0.000 local terms energy: -835.785649 where: bonds (distance) C4'-P energy: -170.468 bonds (distance) P-C4' energy: -178.551 flat angles C4'-P-C4' energy: -178.695 flat angles P-C4'-P energy: -186.422 tors. eta vs tors. theta energy: -121.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -981.201737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.201737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.201737 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -960.687445 where: bonds (distance) C4'-P energy: -239.864 bonds (distance) P-C4' energy: -221.867 flat angles C4'-P-C4' energy: -180.769 flat angles P-C4'-P energy: -207.412 tors. eta vs tors. theta energy: -110.776 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: 2 Temperature: 1.250000 Total energy: -987.257225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.257225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.257225 (E_RNA) where: Base-Base interactions energy: -65.480 where: short stacking energy: -65.480 Base-Backbone interact. energy: -0.000 local terms energy: -921.776576 where: bonds (distance) C4'-P energy: -217.125 bonds (distance) P-C4' energy: -200.732 flat angles C4'-P-C4' energy: -183.432 flat angles P-C4'-P energy: -202.036 tors. eta vs tors. theta energy: -118.452 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -982.555266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.555266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.555266 (E_RNA) where: Base-Base interactions energy: -42.608 where: short stacking energy: -42.608 Base-Backbone interact. energy: -0.000 local terms energy: -939.947000 where: bonds (distance) C4'-P energy: -225.872 bonds (distance) P-C4' energy: -211.585 flat angles C4'-P-C4' energy: -182.527 flat angles P-C4'-P energy: -204.762 tors. eta vs tors. theta energy: -115.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -982.744899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.744899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.744899 (E_RNA) where: Base-Base interactions energy: -43.976 where: short stacking energy: -43.976 Base-Backbone interact. energy: -0.000 local terms energy: -938.768309 where: bonds (distance) C4'-P energy: -226.281 bonds (distance) P-C4' energy: -211.592 flat angles C4'-P-C4' energy: -182.491 flat angles P-C4'-P energy: -204.742 tors. eta vs tors. theta energy: -113.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1217.991067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.991067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.991067 (E_RNA) where: Base-Base interactions energy: -492.447 where: short stacking energy: -490.624 Base-Backbone interact. energy: -1.764 local terms energy: -723.780117 where: bonds (distance) C4'-P energy: -160.972 bonds (distance) P-C4' energy: -163.071 flat angles C4'-P-C4' energy: -157.602 flat angles P-C4'-P energy: -106.427 tors. eta vs tors. theta energy: -135.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1133.683070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.683070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.683070 (E_RNA) where: Base-Base interactions energy: -486.423 where: short stacking energy: -461.380 Base-Backbone interact. energy: -1.895 local terms energy: -645.364897 where: bonds (distance) C4'-P energy: -149.727 bonds (distance) P-C4' energy: -140.331 flat angles C4'-P-C4' energy: -149.439 flat angles P-C4'-P energy: -99.734 tors. eta vs tors. theta energy: -106.133 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1052.460841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.460841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.460841 (E_RNA) where: Base-Base interactions energy: -424.978 where: short stacking energy: -396.927 Base-Backbone interact. energy: -1.090 local terms energy: -626.393059 where: bonds (distance) C4'-P energy: -143.773 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -158.782 flat angles P-C4'-P energy: -84.749 tors. eta vs tors. theta energy: -84.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -970.439168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.439168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.439168 (E_RNA) where: Base-Base interactions energy: -378.505 where: short stacking energy: -360.869 Base-Backbone interact. energy: -0.588 local terms energy: -591.345390 where: bonds (distance) C4'-P energy: -153.381 bonds (distance) P-C4' energy: -138.762 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -86.844 tors. eta vs tors. theta energy: -76.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -859.845023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.845023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.845023 (E_RNA) where: Base-Base interactions energy: -335.350 where: short stacking energy: -317.662 Base-Backbone interact. energy: -1.558 local terms energy: -522.936959 where: bonds (distance) C4'-P energy: -131.728 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -122.678 flat angles P-C4'-P energy: -82.744 tors. eta vs tors. theta energy: -41.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -789.881278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.881278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.881278 (E_RNA) where: Base-Base interactions energy: -281.778 where: short stacking energy: -260.756 Base-Backbone interact. energy: 0.639 local terms energy: -508.742210 where: bonds (distance) C4'-P energy: -122.286 bonds (distance) P-C4' energy: -139.004 flat angles C4'-P-C4' energy: -135.664 flat angles P-C4'-P energy: -83.306 tors. eta vs tors. theta energy: -28.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -691.849638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.849638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.849638 (E_RNA) where: Base-Base interactions energy: -241.964 where: short stacking energy: -211.692 Base-Backbone interact. energy: 1.255 local terms energy: -451.141508 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -121.886 flat angles P-C4'-P energy: -61.474 tors. eta vs tors. theta energy: -11.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -692.900489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.900489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.900489 (E_RNA) where: Base-Base interactions energy: -256.143 where: short stacking energy: -215.952 Base-Backbone interact. energy: -2.468 local terms energy: -434.289235 where: bonds (distance) C4'-P energy: -121.868 bonds (distance) P-C4' energy: -124.340 flat angles C4'-P-C4' energy: -95.122 flat angles P-C4'-P energy: -81.613 tors. eta vs tors. theta energy: -11.345 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -624.931979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.931979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.931979 (E_RNA) where: Base-Base interactions energy: -207.296 where: short stacking energy: -195.998 Base-Backbone interact. energy: 7.033 local terms energy: -424.668879 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -137.919 flat angles C4'-P-C4' energy: -103.248 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: 10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -564.270267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.270267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.270267 (E_RNA) where: Base-Base interactions energy: -181.317 where: short stacking energy: -161.086 Base-Backbone interact. energy: 0.595 local terms energy: -383.548030 where: bonds (distance) C4'-P energy: -102.391 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -63.972 tors. eta vs tors. theta energy: 7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1243.175456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.175456 (E_RNA) where: Base-Base interactions energy: -545.366 where: short stacking energy: -512.614 Base-Backbone interact. energy: -0.301 local terms energy: -697.507709 where: bonds (distance) C4'-P energy: -150.221 bonds (distance) P-C4' energy: -155.317 flat angles C4'-P-C4' energy: -161.614 flat angles P-C4'-P energy: -87.622 tors. eta vs tors. theta energy: -142.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1079.055833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.055833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.055833 (E_RNA) where: Base-Base interactions energy: -445.899 where: short stacking energy: -437.922 Base-Backbone interact. energy: -1.068 local terms energy: -632.088984 where: bonds (distance) C4'-P energy: -151.030 bonds (distance) P-C4' energy: -133.536 flat angles C4'-P-C4' energy: -148.823 flat angles P-C4'-P energy: -101.192 tors. eta vs tors. theta energy: -97.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1109.728610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.728610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.728610 (E_RNA) where: Base-Base interactions energy: -492.830 where: short stacking energy: -400.855 Base-Backbone interact. energy: 1.003 local terms energy: -617.902219 where: bonds (distance) C4'-P energy: -136.865 bonds (distance) P-C4' energy: -145.513 flat angles C4'-P-C4' energy: -148.238 flat angles P-C4'-P energy: -92.908 tors. eta vs tors. theta energy: -94.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -945.180095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.180095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.180095 (E_RNA) where: Base-Base interactions energy: -377.626 where: short stacking energy: -335.190 Base-Backbone interact. energy: 2.399 local terms energy: -569.953691 where: bonds (distance) C4'-P energy: -139.632 bonds (distance) P-C4' energy: -146.427 flat angles C4'-P-C4' energy: -136.804 flat angles P-C4'-P energy: -79.839 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -847.937924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.937924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.937924 (E_RNA) where: Base-Base interactions energy: -317.586 where: short stacking energy: -295.609 Base-Backbone interact. energy: -0.575 local terms energy: -529.777274 where: bonds (distance) C4'-P energy: -139.770 bonds (distance) P-C4' energy: -156.612 flat angles C4'-P-C4' energy: -127.240 flat angles P-C4'-P energy: -77.797 tors. eta vs tors. theta energy: -28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -783.154674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.154674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.154674 (E_RNA) where: Base-Base interactions energy: -311.342 where: short stacking energy: -265.191 Base-Backbone interact. energy: 12.737 local terms energy: -484.549658 where: bonds (distance) C4'-P energy: -123.856 bonds (distance) P-C4' energy: -142.286 flat angles C4'-P-C4' energy: -128.760 flat angles P-C4'-P energy: -68.889 tors. eta vs tors. theta energy: -20.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -709.314249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.314249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.314249 (E_RNA) where: Base-Base interactions energy: -271.606 where: short stacking energy: -202.491 Base-Backbone interact. energy: -1.708 local terms energy: -436.000045 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -128.323 flat angles C4'-P-C4' energy: -116.867 flat angles P-C4'-P energy: -82.592 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -654.219327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.219327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.219327 (E_RNA) where: Base-Base interactions energy: -222.298 where: short stacking energy: -196.679 Base-Backbone interact. energy: -1.544 local terms energy: -430.377273 where: bonds (distance) C4'-P energy: -131.694 bonds (distance) P-C4' energy: -131.811 flat angles C4'-P-C4' energy: -103.113 flat angles P-C4'-P energy: -72.345 tors. eta vs tors. theta energy: 8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -608.089616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.089616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.089616 (E_RNA) where: Base-Base interactions energy: -209.058 where: short stacking energy: -168.309 Base-Backbone interact. energy: 5.067 local terms energy: -404.097961 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -131.975 flat angles C4'-P-C4' energy: -101.314 flat angles P-C4'-P energy: -75.837 tors. eta vs tors. theta energy: 20.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -570.886776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.886776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.886776 (E_RNA) where: Base-Base interactions energy: -200.909 where: short stacking energy: -169.699 Base-Backbone interact. energy: -0.560 local terms energy: -369.418229 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -118.508 flat angles C4'-P-C4' energy: -115.711 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: 23.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1259.373240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.373240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.373240 (E_RNA) where: Base-Base interactions energy: -560.109 where: short stacking energy: -476.313 Base-Backbone interact. energy: -2.044 local terms energy: -697.219831 where: bonds (distance) C4'-P energy: -151.653 bonds (distance) P-C4' energy: -148.437 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -113.626 tors. eta vs tors. theta energy: -123.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1307.758034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.758034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.758034 (E_RNA) where: Base-Base interactions energy: -702.044 where: short stacking energy: -476.513 Base-Backbone interact. energy: 2.743 local terms energy: -608.457119 where: bonds (distance) C4'-P energy: -140.551 bonds (distance) P-C4' energy: -143.459 flat angles C4'-P-C4' energy: -145.796 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -86.684 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1048.930165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.930165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.930165 (E_RNA) where: Base-Base interactions energy: -428.487 where: short stacking energy: -396.258 Base-Backbone interact. energy: 0.619 local terms energy: -621.062466 where: bonds (distance) C4'-P energy: -141.920 bonds (distance) P-C4' energy: -158.911 flat angles C4'-P-C4' energy: -134.157 flat angles P-C4'-P energy: -94.283 tors. eta vs tors. theta energy: -91.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -989.147147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.147147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.147147 (E_RNA) where: Base-Base interactions energy: -419.556 where: short stacking energy: -342.282 Base-Backbone interact. energy: 2.010 local terms energy: -571.600869 where: bonds (distance) C4'-P energy: -132.742 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -62.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -890.596103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.596103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.596103 (E_RNA) where: Base-Base interactions energy: -350.987 where: short stacking energy: -302.649 Base-Backbone interact. energy: -2.518 local terms energy: -537.090820 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -129.022 flat angles C4'-P-C4' energy: -142.804 flat angles P-C4'-P energy: -85.046 tors. eta vs tors. theta energy: -48.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -776.500274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.500274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.500274 (E_RNA) where: Base-Base interactions energy: -282.321 where: short stacking energy: -248.365 Base-Backbone interact. energy: -1.472 local terms energy: -492.707203 where: bonds (distance) C4'-P energy: -119.984 bonds (distance) P-C4' energy: -139.527 flat angles C4'-P-C4' energy: -123.084 flat angles P-C4'-P energy: -85.548 tors. eta vs tors. theta energy: -24.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -829.422551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.422551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.422551 (E_RNA) where: Base-Base interactions energy: -365.708 where: short stacking energy: -230.749 Base-Backbone interact. energy: -1.828 local terms energy: -461.886985 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -142.305 flat angles C4'-P-C4' energy: -116.504 flat angles P-C4'-P energy: -75.680 tors. eta vs tors. theta energy: -10.056 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -673.611032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.611032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.611032 (E_RNA) where: Base-Base interactions energy: -260.425 where: short stacking energy: -221.002 Base-Backbone interact. energy: 5.650 local terms energy: -418.836693 where: bonds (distance) C4'-P energy: -116.369 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -131.183 flat angles P-C4'-P energy: -57.715 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -618.789156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.789156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.789156 (E_RNA) where: Base-Base interactions energy: -195.748 where: short stacking energy: -154.275 Base-Backbone interact. energy: 2.164 local terms energy: -425.204707 where: bonds (distance) C4'-P energy: -108.538 bonds (distance) P-C4' energy: -139.929 flat angles C4'-P-C4' energy: -115.123 flat angles P-C4'-P energy: -71.960 tors. eta vs tors. theta energy: 10.345 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: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -538.150367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.150367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.150367 (E_RNA) where: Base-Base interactions energy: -157.105 where: short stacking energy: -148.300 Base-Backbone interact. energy: 0.467 local terms energy: -381.513156 where: bonds (distance) C4'-P energy: -100.374 bonds (distance) P-C4' energy: -141.131 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: 34.353 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: 6 Temperature: 0.900000 Total energy: -1459.175170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.175170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.175170 (E_RNA) where: Base-Base interactions energy: -772.643 where: short stacking energy: -506.140 Base-Backbone interact. energy: 1.422 local terms energy: -687.953423 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -144.826 flat angles P-C4'-P energy: -98.084 tors. eta vs tors. theta energy: -135.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1252.529410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.529410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.529410 (E_RNA) where: Base-Base interactions energy: -584.842 where: short stacking energy: -495.053 Base-Backbone interact. energy: -1.005 local terms energy: -666.682240 where: bonds (distance) C4'-P energy: -133.501 bonds (distance) P-C4' energy: -150.904 flat angles C4'-P-C4' energy: -158.083 flat angles P-C4'-P energy: -109.732 tors. eta vs tors. theta energy: -114.462 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: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1085.743632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.743632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.743632 (E_RNA) where: Base-Base interactions energy: -496.006 where: short stacking energy: -381.322 Base-Backbone interact. energy: 3.939 local terms energy: -593.676659 where: bonds (distance) C4'-P energy: -158.032 bonds (distance) P-C4' energy: -161.558 flat angles C4'-P-C4' energy: -143.797 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -62.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -969.391246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.391246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.391246 (E_RNA) where: Base-Base interactions energy: -418.159 where: short stacking energy: -327.981 Base-Backbone interact. energy: -1.576 local terms energy: -549.656461 where: bonds (distance) C4'-P energy: -134.906 bonds (distance) P-C4' energy: -141.529 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -108.044 tors. eta vs tors. theta energy: -41.415 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: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -931.648976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.648976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.648976 (E_RNA) where: Base-Base interactions energy: -392.719 where: short stacking energy: -325.871 Base-Backbone interact. energy: -1.034 local terms energy: -537.896425 where: bonds (distance) C4'-P energy: -146.027 bonds (distance) P-C4' energy: -135.975 flat angles C4'-P-C4' energy: -121.015 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -63.986 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -897.055497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.055497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.055497 (E_RNA) where: Base-Base interactions energy: -404.558 where: short stacking energy: -286.442 Base-Backbone interact. energy: 3.382 local terms energy: -495.878938 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -128.441 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -29.390 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: 6 Temperature: 1.200000 Total energy: -912.576438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.576438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.576438 (E_RNA) where: Base-Base interactions energy: -427.403 where: short stacking energy: -264.376 Base-Backbone interact. energy: -1.075 local terms energy: -484.097908 where: bonds (distance) C4'-P energy: -138.646 bonds (distance) P-C4' energy: -136.268 flat angles C4'-P-C4' energy: -119.433 flat angles P-C4'-P energy: -75.963 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -657.324513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.324513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.324513 (E_RNA) where: Base-Base interactions energy: -222.909 where: short stacking energy: -194.192 Base-Backbone interact. energy: 1.233 local terms energy: -435.648254 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: 16.649 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -655.462942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.462942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.462942 (E_RNA) where: Base-Base interactions energy: -260.933 where: short stacking energy: -220.769 Base-Backbone interact. energy: -0.490 local terms energy: -394.040257 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -143.809 flat angles C4'-P-C4' energy: -85.413 flat angles P-C4'-P energy: -57.359 tors. eta vs tors. theta energy: 12.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -564.802137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.802137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.802137 (E_RNA) where: Base-Base interactions energy: -197.701 where: short stacking energy: -148.940 Base-Backbone interact. energy: 1.051 local terms energy: -368.151914 where: bonds (distance) C4'-P energy: -144.881 bonds (distance) P-C4' energy: -127.722 flat angles C4'-P-C4' energy: -73.030 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: 30.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1553.954546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.954546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.954546 (E_RNA) where: Base-Base interactions energy: -843.119 where: short stacking energy: -571.413 Base-Backbone interact. energy: -1.710 local terms energy: -709.125952 where: bonds (distance) C4'-P energy: -162.963 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -163.528 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -133.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1203.462282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.462282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.462282 (E_RNA) where: Base-Base interactions energy: -516.551 where: short stacking energy: -432.065 Base-Backbone interact. energy: -2.189 local terms energy: -684.722722 where: bonds (distance) C4'-P energy: -154.951 bonds (distance) P-C4' energy: -157.379 flat angles C4'-P-C4' energy: -158.544 flat angles P-C4'-P energy: -108.232 tors. eta vs tors. theta energy: -105.616 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: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1154.777260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.777260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.777260 (E_RNA) where: Base-Base interactions energy: -568.812 where: short stacking energy: -397.676 Base-Backbone interact. energy: 3.032 local terms energy: -588.996303 where: bonds (distance) C4'-P energy: -138.105 bonds (distance) P-C4' energy: -139.155 flat angles C4'-P-C4' energy: -153.744 flat angles P-C4'-P energy: -90.397 tors. eta vs tors. theta energy: -67.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1035.694170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.694170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.694170 (E_RNA) where: Base-Base interactions energy: -453.636 where: short stacking energy: -354.918 Base-Backbone interact. energy: 0.429 local terms energy: -582.487384 where: bonds (distance) C4'-P energy: -141.835 bonds (distance) P-C4' energy: -143.085 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -85.547 tors. eta vs tors. theta energy: -64.038 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: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -908.496087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.496087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.496087 (E_RNA) where: Base-Base interactions energy: -401.309 where: short stacking energy: -308.614 Base-Backbone interact. energy: -2.607 local terms energy: -504.580319 where: bonds (distance) C4'-P energy: -120.877 bonds (distance) P-C4' energy: -133.204 flat angles C4'-P-C4' energy: -126.731 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: -41.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1019.342509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.342509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.342509 (E_RNA) where: Base-Base interactions energy: -504.996 where: short stacking energy: -309.899 Base-Backbone interact. energy: 1.152 local terms energy: -515.498741 where: bonds (distance) C4'-P energy: -151.813 bonds (distance) P-C4' energy: -123.048 flat angles C4'-P-C4' energy: -121.620 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -31.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -886.209523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.209523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.209523 (E_RNA) where: Base-Base interactions energy: -430.571 where: short stacking energy: -241.285 Base-Backbone interact. energy: -2.072 local terms energy: -453.566113 where: bonds (distance) C4'-P energy: -133.308 bonds (distance) P-C4' energy: -131.710 flat angles C4'-P-C4' energy: -124.764 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -695.686368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.686368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.686368 (E_RNA) where: Base-Base interactions energy: -244.131 where: short stacking energy: -183.156 Base-Backbone interact. energy: -4.048 local terms energy: -447.506912 where: bonds (distance) C4'-P energy: -123.681 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -131.917 flat angles P-C4'-P energy: -76.844 tors. eta vs tors. theta energy: 13.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -602.437641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.437641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.437641 (E_RNA) where: Base-Base interactions energy: -209.904 where: short stacking energy: -162.366 Base-Backbone interact. energy: 2.206 local terms energy: -394.739883 where: bonds (distance) C4'-P energy: -103.940 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: 18.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -559.715108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.715108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.715108 (E_RNA) where: Base-Base interactions energy: -178.410 where: short stacking energy: -150.408 Base-Backbone interact. energy: -1.841 local terms energy: -379.464132 where: bonds (distance) C4'-P energy: -119.216 bonds (distance) P-C4' energy: -124.275 flat angles C4'-P-C4' energy: -101.648 flat angles P-C4'-P energy: -64.109 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: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1601.898009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.898009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.898009 (E_RNA) where: Base-Base interactions energy: -892.305 where: short stacking energy: -522.958 Base-Backbone interact. energy: -1.930 local terms energy: -707.663069 where: bonds (distance) C4'-P energy: -155.963 bonds (distance) P-C4' energy: -151.245 flat angles C4'-P-C4' energy: -154.383 flat angles P-C4'-P energy: -108.217 tors. eta vs tors. theta energy: -137.855 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1224.008673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.008673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.008673 (E_RNA) where: Base-Base interactions energy: -556.748 where: short stacking energy: -426.465 Base-Backbone interact. energy: -0.688 local terms energy: -666.571911 where: bonds (distance) C4'-P energy: -150.838 bonds (distance) P-C4' energy: -167.765 flat angles C4'-P-C4' energy: -153.003 flat angles P-C4'-P energy: -104.183 tors. eta vs tors. theta energy: -90.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1175.244389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.244389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.244389 (E_RNA) where: Base-Base interactions energy: -539.040 where: short stacking energy: -404.698 Base-Backbone interact. energy: -1.333 local terms energy: -634.871733 where: bonds (distance) C4'-P energy: -151.998 bonds (distance) P-C4' energy: -153.207 flat angles C4'-P-C4' energy: -131.421 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -98.086 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: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -995.674900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.674900 (E_RNA) where: Base-Base interactions energy: -428.954 where: short stacking energy: -333.811 Base-Backbone interact. energy: -3.332 local terms energy: -563.389363 where: bonds (distance) C4'-P energy: -138.242 bonds (distance) P-C4' energy: -143.478 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -91.221 tors. eta vs tors. theta energy: -59.590 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: 8 Temperature: 1.100000 Total energy: -1154.947863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.947863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.947863 (E_RNA) where: Base-Base interactions energy: -617.623 where: short stacking energy: -371.905 Base-Backbone interact. energy: -3.143 local terms energy: -534.181498 where: bonds (distance) C4'-P energy: -118.772 bonds (distance) P-C4' energy: -149.678 flat angles C4'-P-C4' energy: -121.748 flat angles P-C4'-P energy: -75.507 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: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -900.698221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.698221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.698221 (E_RNA) where: Base-Base interactions energy: -421.949 where: short stacking energy: -278.845 Base-Backbone interact. energy: -1.250 local terms energy: -477.499422 where: bonds (distance) C4'-P energy: -143.880 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -129.722 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -23.177 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: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -940.820877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.820877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.820877 (E_RNA) where: Base-Base interactions energy: -451.432 where: short stacking energy: -247.469 Base-Backbone interact. energy: 2.829 local terms energy: -492.217691 where: bonds (distance) C4'-P energy: -124.934 bonds (distance) P-C4' energy: -148.784 flat angles C4'-P-C4' energy: -128.979 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -23.865 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: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -664.539485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.539485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.539485 (E_RNA) where: Base-Base interactions energy: -257.812 where: short stacking energy: -171.556 Base-Backbone interact. energy: 1.249 local terms energy: -407.975963 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -148.742 flat angles C4'-P-C4' energy: -98.969 flat angles P-C4'-P energy: -64.750 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -572.507609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.507609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.507609 (E_RNA) where: Base-Base interactions energy: -208.761 where: short stacking energy: -162.540 Base-Backbone interact. energy: -3.446 local terms energy: -360.300501 where: bonds (distance) C4'-P energy: -102.246 bonds (distance) P-C4' energy: -125.519 flat angles C4'-P-C4' energy: -108.908 flat angles P-C4'-P energy: -48.393 tors. eta vs tors. theta energy: 24.766 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: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -558.585866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.585866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.585866 (E_RNA) where: Base-Base interactions energy: -190.948 where: short stacking energy: -165.376 Base-Backbone interact. energy: 2.322 local terms energy: -369.959958 where: bonds (distance) C4'-P energy: -114.421 bonds (distance) P-C4' energy: -127.912 flat angles C4'-P-C4' energy: -92.421 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: 20.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1615.514484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.514484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.514484 (E_RNA) where: Base-Base interactions energy: -899.840 where: short stacking energy: -567.189 Base-Backbone interact. energy: -2.727 local terms energy: -712.947706 where: bonds (distance) C4'-P energy: -136.619 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -111.944 tors. eta vs tors. theta energy: -149.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1328.448069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.448069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.448069 (E_RNA) where: Base-Base interactions energy: -674.132 where: short stacking energy: -483.873 Base-Backbone interact. energy: -2.103 local terms energy: -652.213827 where: bonds (distance) C4'-P energy: -137.448 bonds (distance) P-C4' energy: -152.390 flat angles C4'-P-C4' energy: -153.789 flat angles P-C4'-P energy: -85.304 tors. eta vs tors. theta energy: -123.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1200.046587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.046587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.046587 (E_RNA) where: Base-Base interactions energy: -583.998 where: short stacking energy: -408.629 Base-Backbone interact. energy: -3.606 local terms energy: -612.442277 where: bonds (distance) C4'-P energy: -137.581 bonds (distance) P-C4' energy: -149.540 flat angles C4'-P-C4' energy: -169.078 flat angles P-C4'-P energy: -80.195 tors. eta vs tors. theta energy: -76.048 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: 9 Temperature: 1.050000 Total energy: -1351.890208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.890208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.890208 (E_RNA) where: Base-Base interactions energy: -731.652 where: short stacking energy: -446.350 Base-Backbone interact. energy: -2.601 local terms energy: -617.636821 where: bonds (distance) C4'-P energy: -152.243 bonds (distance) P-C4' energy: -138.563 flat angles C4'-P-C4' energy: -149.251 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: -95.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1041.032038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.032038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.032038 (E_RNA) where: Base-Base interactions energy: -508.760 where: short stacking energy: -330.976 Base-Backbone interact. energy: 2.354 local terms energy: -534.626398 where: bonds (distance) C4'-P energy: -138.923 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -119.549 flat angles P-C4'-P energy: -58.215 tors. eta vs tors. theta energy: -60.455 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: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1032.333817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.333817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.333817 (E_RNA) where: Base-Base interactions energy: -540.871 where: short stacking energy: -287.042 Base-Backbone interact. energy: -0.279 local terms energy: -491.183331 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -126.049 flat angles C4'-P-C4' energy: -135.536 flat angles P-C4'-P energy: -67.691 tors. eta vs tors. theta energy: -22.938 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -894.934760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.934760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.934760 (E_RNA) where: Base-Base interactions energy: -420.076 where: short stacking energy: -259.188 Base-Backbone interact. energy: -2.016 local terms energy: -472.842735 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -143.397 flat angles C4'-P-C4' energy: -121.048 flat angles P-C4'-P energy: -76.404 tors. eta vs tors. theta energy: -20.161 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -685.324170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.324170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.324170 (E_RNA) where: Base-Base interactions energy: -273.715 where: short stacking energy: -205.048 Base-Backbone interact. energy: -0.508 local terms energy: -411.101768 where: bonds (distance) C4'-P energy: -126.569 bonds (distance) P-C4' energy: -120.458 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -58.002 tors. eta vs tors. theta energy: 7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -589.983049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.983049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.983049 (E_RNA) where: Base-Base interactions energy: -234.144 where: short stacking energy: -139.996 Base-Backbone interact. energy: 1.491 local terms energy: -357.329891 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -129.490 flat angles C4'-P-C4' energy: -116.814 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: 54.593 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -560.317213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.317213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.317213 (E_RNA) where: Base-Base interactions energy: -188.726 where: short stacking energy: -168.113 Base-Backbone interact. energy: 2.613 local terms energy: -374.204310 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -134.304 flat angles C4'-P-C4' energy: -92.378 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: 19.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1645.395065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.395065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.395065 (E_RNA) where: Base-Base interactions energy: -948.353 where: short stacking energy: -569.975 Base-Backbone interact. energy: -1.652 local terms energy: -695.389558 where: bonds (distance) C4'-P energy: -137.582 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -152.249 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -156.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1356.255735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.255735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.255735 (E_RNA) where: Base-Base interactions energy: -684.598 where: short stacking energy: -448.495 Base-Backbone interact. energy: -1.463 local terms energy: -670.195105 where: bonds (distance) C4'-P energy: -141.513 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -175.628 flat angles P-C4'-P energy: -87.624 tors. eta vs tors. theta energy: -123.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1527.624715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.624715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.624715 (E_RNA) where: Base-Base interactions energy: -878.146 where: short stacking energy: -475.718 Base-Backbone interact. energy: -2.255 local terms energy: -647.223075 where: bonds (distance) C4'-P energy: -143.988 bonds (distance) P-C4' energy: -165.240 flat angles C4'-P-C4' energy: -139.450 flat angles P-C4'-P energy: -93.763 tors. eta vs tors. theta energy: -104.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1156.589460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.589460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.589460 (E_RNA) where: Base-Base interactions energy: -582.054 where: short stacking energy: -371.218 Base-Backbone interact. energy: -3.872 local terms energy: -570.663548 where: bonds (distance) C4'-P energy: -142.953 bonds (distance) P-C4' energy: -134.179 flat angles C4'-P-C4' energy: -141.726 flat angles P-C4'-P energy: -79.907 tors. eta vs tors. theta energy: -71.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1060.921735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.921735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.921735 (E_RNA) where: Base-Base interactions energy: -515.311 where: short stacking energy: -291.298 Base-Backbone interact. energy: 1.958 local terms energy: -547.568876 where: bonds (distance) C4'-P energy: -134.772 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -135.560 flat angles P-C4'-P energy: -86.009 tors. eta vs tors. theta energy: -32.833 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: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1013.805225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.805225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.805225 (E_RNA) where: Base-Base interactions energy: -524.224 where: short stacking energy: -271.952 Base-Backbone interact. energy: -0.983 local terms energy: -488.597539 where: bonds (distance) C4'-P energy: -117.164 bonds (distance) P-C4' energy: -136.154 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -22.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -930.814918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.814918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.814918 (E_RNA) where: Base-Base interactions energy: -434.112 where: short stacking energy: -249.216 Base-Backbone interact. energy: -1.707 local terms energy: -494.996470 where: bonds (distance) C4'-P energy: -115.612 bonds (distance) P-C4' energy: -135.256 flat angles C4'-P-C4' energy: -131.359 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -23.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -647.832574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.832574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.832574 (E_RNA) where: Base-Base interactions energy: -224.535 where: short stacking energy: -164.973 Base-Backbone interact. energy: 6.838 local terms energy: -430.135278 where: bonds (distance) C4'-P energy: -113.189 bonds (distance) P-C4' energy: -135.565 flat angles C4'-P-C4' energy: -119.322 flat angles P-C4'-P energy: -65.229 tors. eta vs tors. theta energy: 3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -699.568104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.568104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.568104 (E_RNA) where: Base-Base interactions energy: -292.769 where: short stacking energy: -182.696 Base-Backbone interact. energy: 0.333 local terms energy: -407.132425 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -137.870 flat angles C4'-P-C4' energy: -105.849 flat angles P-C4'-P energy: -51.830 tors. eta vs tors. theta energy: 12.194 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: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -540.646164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.646164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.646164 (E_RNA) where: Base-Base interactions energy: -178.583 where: short stacking energy: -145.463 Base-Backbone interact. energy: 1.898 local terms energy: -363.960472 where: bonds (distance) C4'-P energy: -102.483 bonds (distance) P-C4' energy: -115.266 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -69.342 tors. eta vs tors. theta energy: 26.028 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1666.972073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.972073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.972073 (E_RNA) where: Base-Base interactions energy: -967.113 where: short stacking energy: -552.491 Base-Backbone interact. energy: -1.240 local terms energy: -698.619063 where: bonds (distance) C4'-P energy: -157.190 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -156.400 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -148.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1616.846109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.846109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.846109 (E_RNA) where: Base-Base interactions energy: -953.042 where: short stacking energy: -479.601 Base-Backbone interact. energy: -0.873 local terms energy: -662.930825 where: bonds (distance) C4'-P energy: -135.134 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -149.299 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -138.176 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1283.147142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.147142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.147142 (E_RNA) where: Base-Base interactions energy: -611.006 where: short stacking energy: -431.918 Base-Backbone interact. energy: -3.267 local terms energy: -668.873352 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -155.384 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -106.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1175.097669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.097669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.097669 (E_RNA) where: Base-Base interactions energy: -566.953 where: short stacking energy: -359.438 Base-Backbone interact. energy: -2.863 local terms energy: -605.282031 where: bonds (distance) C4'-P energy: -145.308 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -138.714 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -79.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1090.908751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.908751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.908751 (E_RNA) where: Base-Base interactions energy: -550.877 where: short stacking energy: -319.879 Base-Backbone interact. energy: -0.079 local terms energy: -539.951786 where: bonds (distance) C4'-P energy: -141.368 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -149.125 flat angles P-C4'-P energy: -74.044 tors. eta vs tors. theta energy: -27.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1114.194604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.194604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.194604 (E_RNA) where: Base-Base interactions energy: -566.830 where: short stacking energy: -301.300 Base-Backbone interact. energy: 0.058 local terms energy: -547.422866 where: bonds (distance) C4'-P energy: -141.852 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -66.224 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: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -916.380406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.380406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.380406 (E_RNA) where: Base-Base interactions energy: -446.459 where: short stacking energy: -269.704 Base-Backbone interact. energy: 4.277 local terms energy: -474.198410 where: bonds (distance) C4'-P energy: -124.987 bonds (distance) P-C4' energy: -131.587 flat angles C4'-P-C4' energy: -121.612 flat angles P-C4'-P energy: -79.522 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -722.445195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.445195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.445195 (E_RNA) where: Base-Base interactions energy: -278.397 where: short stacking energy: -196.743 Base-Backbone interact. energy: 8.233 local terms energy: -452.281127 where: bonds (distance) C4'-P energy: -125.383 bonds (distance) P-C4' energy: -140.558 flat angles C4'-P-C4' energy: -117.192 flat angles P-C4'-P energy: -71.295 tors. eta vs tors. theta energy: 2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -671.858196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.858196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.858196 (E_RNA) where: Base-Base interactions energy: -248.413 where: short stacking energy: -185.300 Base-Backbone interact. energy: -3.916 local terms energy: -419.528988 where: bonds (distance) C4'-P energy: -105.823 bonds (distance) P-C4' energy: -145.933 flat angles C4'-P-C4' energy: -117.044 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: 21.106 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: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -581.515171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.515171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.515171 (E_RNA) where: Base-Base interactions energy: -224.398 where: short stacking energy: -147.299 Base-Backbone interact. energy: 5.994 local terms energy: -363.110670 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -120.310 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -63.310 tors. eta vs tors. theta energy: 38.463 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: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1698.130120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.130120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.130120 (E_RNA) where: Base-Base interactions energy: -976.292 where: short stacking energy: -548.637 Base-Backbone interact. energy: -1.079 local terms energy: -720.759206 where: bonds (distance) C4'-P energy: -155.706 bonds (distance) P-C4' energy: -152.006 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -98.672 tors. eta vs tors. theta energy: -152.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1630.535714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.535714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.535714 (E_RNA) where: Base-Base interactions energy: -942.049 where: short stacking energy: -558.005 Base-Backbone interact. energy: -0.542 local terms energy: -687.944687 where: bonds (distance) C4'-P energy: -159.800 bonds (distance) P-C4' energy: -143.728 flat angles C4'-P-C4' energy: -146.749 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -145.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1284.479875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.479875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.479875 (E_RNA) where: Base-Base interactions energy: -678.828 where: short stacking energy: -429.094 Base-Backbone interact. energy: 1.674 local terms energy: -607.326070 where: bonds (distance) C4'-P energy: -151.367 bonds (distance) P-C4' energy: -135.140 flat angles C4'-P-C4' energy: -152.314 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -83.624 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1232.162168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.162168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.162168 (E_RNA) where: Base-Base interactions energy: -686.791 where: short stacking energy: -400.908 Base-Backbone interact. energy: 7.911 local terms energy: -553.282334 where: bonds (distance) C4'-P energy: -121.122 bonds (distance) P-C4' energy: -146.701 flat angles C4'-P-C4' energy: -126.121 flat angles P-C4'-P energy: -78.764 tors. eta vs tors. theta energy: -80.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1238.113519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.113519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.113519 (E_RNA) where: Base-Base interactions energy: -670.433 where: short stacking energy: -371.594 Base-Backbone interact. energy: 0.355 local terms energy: -568.035480 where: bonds (distance) C4'-P energy: -126.759 bonds (distance) P-C4' energy: -154.663 flat angles C4'-P-C4' energy: -149.917 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -55.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1054.561389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.561389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.561389 (E_RNA) where: Base-Base interactions energy: -532.450 where: short stacking energy: -346.622 Base-Backbone interact. energy: 0.497 local terms energy: -522.607686 where: bonds (distance) C4'-P energy: -112.082 bonds (distance) P-C4' energy: -123.380 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -61.005 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -917.476636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.476636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.476636 (E_RNA) where: Base-Base interactions energy: -439.917 where: short stacking energy: -266.389 Base-Backbone interact. energy: 0.409 local terms energy: -477.968095 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -123.962 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -29.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -677.432041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.432041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.432041 (E_RNA) where: Base-Base interactions energy: -253.473 where: short stacking energy: -179.127 Base-Backbone interact. energy: 7.886 local terms energy: -431.845167 where: bonds (distance) C4'-P energy: -138.402 bonds (distance) P-C4' energy: -135.364 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -54.805 tors. eta vs tors. theta energy: 3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -667.254302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.254302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.254302 (E_RNA) where: Base-Base interactions energy: -261.835 where: short stacking energy: -189.420 Base-Backbone interact. energy: 5.291 local terms energy: -410.710167 where: bonds (distance) C4'-P energy: -134.467 bonds (distance) P-C4' energy: -125.904 flat angles C4'-P-C4' energy: -118.348 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: 28.381 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: 12 Temperature: 1.350000 Total energy: -578.415151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.415151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.415151 (E_RNA) where: Base-Base interactions energy: -176.074 where: short stacking energy: -158.595 Base-Backbone interact. energy: 0.794 local terms energy: -403.135429 where: bonds (distance) C4'-P energy: -136.276 bonds (distance) P-C4' energy: -110.692 flat angles C4'-P-C4' energy: -114.361 flat angles P-C4'-P energy: -80.027 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: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1773.837132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.837132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.837132 (E_RNA) where: Base-Base interactions energy: -1076.145 where: short stacking energy: -542.897 Base-Backbone interact. energy: -3.080 local terms energy: -694.611964 where: bonds (distance) C4'-P energy: -144.797 bonds (distance) P-C4' energy: -142.510 flat angles C4'-P-C4' energy: -148.762 flat angles P-C4'-P energy: -116.384 tors. eta vs tors. theta energy: -142.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1591.560178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.560178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.560178 (E_RNA) where: Base-Base interactions energy: -950.103 where: short stacking energy: -510.760 Base-Backbone interact. energy: -3.229 local terms energy: -638.228285 where: bonds (distance) C4'-P energy: -146.264 bonds (distance) P-C4' energy: -146.165 flat angles C4'-P-C4' energy: -128.793 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: -125.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1290.172038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.172038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.172038 (E_RNA) where: Base-Base interactions energy: -674.184 where: short stacking energy: -451.776 Base-Backbone interact. energy: -1.368 local terms energy: -614.619791 where: bonds (distance) C4'-P energy: -152.831 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -130.118 flat angles P-C4'-P energy: -87.584 tors. eta vs tors. theta energy: -96.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1213.660327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.660327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.660327 (E_RNA) where: Base-Base interactions energy: -647.841 where: short stacking energy: -411.454 Base-Backbone interact. energy: 5.301 local terms energy: -571.120250 where: bonds (distance) C4'-P energy: -139.342 bonds (distance) P-C4' energy: -139.398 flat angles C4'-P-C4' energy: -142.588 flat angles P-C4'-P energy: -73.711 tors. eta vs tors. theta energy: -76.081 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1241.758478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.758478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.758478 (E_RNA) where: Base-Base interactions energy: -702.744 where: short stacking energy: -381.878 Base-Backbone interact. energy: -0.783 local terms energy: -538.231407 where: bonds (distance) C4'-P energy: -135.599 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -143.674 flat angles P-C4'-P energy: -60.252 tors. eta vs tors. theta energy: -74.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1022.723464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.723464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.723464 (E_RNA) where: Base-Base interactions energy: -499.463 where: short stacking energy: -311.359 Base-Backbone interact. energy: -1.840 local terms energy: -521.419944 where: bonds (distance) C4'-P energy: -151.941 bonds (distance) P-C4' energy: -152.318 flat angles C4'-P-C4' energy: -112.314 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -30.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -997.716831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.716831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.716831 (E_RNA) where: Base-Base interactions energy: -499.061 where: short stacking energy: -322.711 Base-Backbone interact. energy: 0.025 local terms energy: -498.681071 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -141.519 flat angles C4'-P-C4' energy: -108.453 flat angles P-C4'-P energy: -65.881 tors. eta vs tors. theta energy: -47.399 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -708.174841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.174841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.174841 (E_RNA) where: Base-Base interactions energy: -314.014 where: short stacking energy: -233.201 Base-Backbone interact. energy: 0.771 local terms energy: -394.932400 where: bonds (distance) C4'-P energy: -115.679 bonds (distance) P-C4' energy: -136.810 flat angles C4'-P-C4' energy: -106.149 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: 12.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -686.206814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.206814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.206814 (E_RNA) where: Base-Base interactions energy: -264.791 where: short stacking energy: -151.046 Base-Backbone interact. energy: 0.301 local terms energy: -421.716243 where: bonds (distance) C4'-P energy: -136.082 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: 11.598 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: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -548.000321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.000321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.000321 (E_RNA) where: Base-Base interactions energy: -166.171 where: short stacking energy: -134.697 Base-Backbone interact. energy: -2.334 local terms energy: -379.495138 where: bonds (distance) C4'-P energy: -111.408 bonds (distance) P-C4' energy: -117.862 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: 27.169 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1795.639506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.639506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.639506 (E_RNA) where: Base-Base interactions energy: -1069.327 where: short stacking energy: -558.051 Base-Backbone interact. energy: -1.742 local terms energy: -724.570546 where: bonds (distance) C4'-P energy: -160.383 bonds (distance) P-C4' energy: -161.663 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -101.052 tors. eta vs tors. theta energy: -144.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1620.671675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.671675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.671675 (E_RNA) where: Base-Base interactions energy: -947.447 where: short stacking energy: -503.483 Base-Backbone interact. energy: -1.978 local terms energy: -671.247357 where: bonds (distance) C4'-P energy: -148.602 bonds (distance) P-C4' energy: -158.369 flat angles C4'-P-C4' energy: -144.521 flat angles P-C4'-P energy: -107.334 tors. eta vs tors. theta energy: -112.422 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1301.518334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.518334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.518334 (E_RNA) where: Base-Base interactions energy: -702.660 where: short stacking energy: -380.366 Base-Backbone interact. energy: -0.079 local terms energy: -598.779931 where: bonds (distance) C4'-P energy: -161.454 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -76.758 tors. eta vs tors. theta energy: -69.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1286.379751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.379751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.379751 (E_RNA) where: Base-Base interactions energy: -703.039 where: short stacking energy: -371.757 Base-Backbone interact. energy: -0.413 local terms energy: -582.927134 where: bonds (distance) C4'-P energy: -125.968 bonds (distance) P-C4' energy: -146.231 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -81.982 tors. eta vs tors. theta energy: -73.656 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: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1207.026052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.026052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.026052 (E_RNA) where: Base-Base interactions energy: -653.826 where: short stacking energy: -368.214 Base-Backbone interact. energy: -0.996 local terms energy: -552.204001 where: bonds (distance) C4'-P energy: -125.481 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -86.427 tors. eta vs tors. theta energy: -61.512 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: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1203.255973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.255973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.255973 (E_RNA) where: Base-Base interactions energy: -661.058 where: short stacking energy: -358.182 Base-Backbone interact. energy: -3.677 local terms energy: -538.521160 where: bonds (distance) C4'-P energy: -134.355 bonds (distance) P-C4' energy: -138.625 flat angles C4'-P-C4' energy: -127.315 flat angles P-C4'-P energy: -83.837 tors. eta vs tors. theta energy: -54.390 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: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1022.252145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.252145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.252145 (E_RNA) where: Base-Base interactions energy: -528.153 where: short stacking energy: -315.099 Base-Backbone interact. energy: 0.123 local terms energy: -494.221963 where: bonds (distance) C4'-P energy: -131.442 bonds (distance) P-C4' energy: -128.078 flat angles C4'-P-C4' energy: -134.745 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -36.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -747.737046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.737046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.737046 (E_RNA) where: Base-Base interactions energy: -330.013 where: short stacking energy: -207.664 Base-Backbone interact. energy: 1.856 local terms energy: -419.580177 where: bonds (distance) C4'-P energy: -120.804 bonds (distance) P-C4' energy: -129.656 flat angles C4'-P-C4' energy: -121.494 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: 13.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -749.447253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.447253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.447253 (E_RNA) where: Base-Base interactions energy: -332.224 where: short stacking energy: -195.314 Base-Backbone interact. energy: 0.326 local terms energy: -417.549443 where: bonds (distance) C4'-P energy: -101.999 bonds (distance) P-C4' energy: -145.675 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -58.256 tors. eta vs tors. theta energy: 12.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -555.355883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.355883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.355883 (E_RNA) where: Base-Base interactions energy: -190.542 where: short stacking energy: -151.619 Base-Backbone interact. energy: 2.997 local terms energy: -367.811103 where: bonds (distance) C4'-P energy: -119.989 bonds (distance) P-C4' energy: -121.711 flat angles C4'-P-C4' energy: -109.517 flat angles P-C4'-P energy: -61.043 tors. eta vs tors. theta energy: 44.450 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: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1849.787809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.787809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.787809 (E_RNA) where: Base-Base interactions energy: -1111.059 where: short stacking energy: -596.140 Base-Backbone interact. energy: 0.516 local terms energy: -739.244927 where: bonds (distance) C4'-P energy: -166.919 bonds (distance) P-C4' energy: -152.160 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -163.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1651.521143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.521143 (E_RNA) where: Base-Base interactions energy: -985.462 where: short stacking energy: -499.359 Base-Backbone interact. energy: -0.641 local terms energy: -665.418146 where: bonds (distance) C4'-P energy: -143.384 bonds (distance) P-C4' energy: -138.943 flat angles C4'-P-C4' energy: -159.021 flat angles P-C4'-P energy: -108.980 tors. eta vs tors. theta energy: -115.092 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: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1337.859014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.859014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.859014 (E_RNA) where: Base-Base interactions energy: -731.825 where: short stacking energy: -461.739 Base-Backbone interact. energy: -0.294 local terms energy: -605.739960 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -152.192 flat angles C4'-P-C4' energy: -147.928 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -84.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1406.517250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.517250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.517250 (E_RNA) where: Base-Base interactions energy: -817.144 where: short stacking energy: -424.483 Base-Backbone interact. energy: -2.189 local terms energy: -587.184041 where: bonds (distance) C4'-P energy: -137.575 bonds (distance) P-C4' energy: -136.581 flat angles C4'-P-C4' energy: -143.813 flat angles P-C4'-P energy: -82.152 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: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1188.463126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.463126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.463126 (E_RNA) where: Base-Base interactions energy: -636.300 where: short stacking energy: -365.268 Base-Backbone interact. energy: 1.215 local terms energy: -553.378230 where: bonds (distance) C4'-P energy: -131.064 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -127.625 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -69.452 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: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1175.772576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.772576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.772576 (E_RNA) where: Base-Base interactions energy: -600.836 where: short stacking energy: -340.468 Base-Backbone interact. energy: -0.882 local terms energy: -574.054861 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -137.923 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -78.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1018.292341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.292341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.292341 (E_RNA) where: Base-Base interactions energy: -500.881 where: short stacking energy: -326.179 Base-Backbone interact. energy: 5.524 local terms energy: -522.935037 where: bonds (distance) C4'-P energy: -132.457 bonds (distance) P-C4' energy: -116.744 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -93.520 tors. eta vs tors. theta energy: -45.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -788.417269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.417269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.417269 (E_RNA) where: Base-Base interactions energy: -349.498 where: short stacking energy: -222.999 Base-Backbone interact. energy: -2.201 local terms energy: -436.718539 where: bonds (distance) C4'-P energy: -126.428 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -105.405 flat angles P-C4'-P energy: -80.734 tors. eta vs tors. theta energy: 3.178 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -729.503117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.503117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.503117 (E_RNA) where: Base-Base interactions energy: -312.500 where: short stacking energy: -187.005 Base-Backbone interact. energy: -0.996 local terms energy: -416.007574 where: bonds (distance) C4'-P energy: -129.150 bonds (distance) P-C4' energy: -124.565 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: 3.790 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: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -599.982017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.982017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.982017 (E_RNA) where: Base-Base interactions energy: -227.679 where: short stacking energy: -178.208 Base-Backbone interact. energy: 6.331 local terms energy: -378.634098 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -117.804 flat angles C4'-P-C4' energy: -106.947 flat angles P-C4'-P energy: -66.660 tors. eta vs tors. theta energy: 30.338 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: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1901.649679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.649679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.649679 (E_RNA) where: Base-Base interactions energy: -1142.403 where: short stacking energy: -634.041 Base-Backbone interact. energy: 1.898 local terms energy: -761.144484 where: bonds (distance) C4'-P energy: -137.242 bonds (distance) P-C4' energy: -149.824 flat angles C4'-P-C4' energy: -181.799 flat angles P-C4'-P energy: -111.474 tors. eta vs tors. theta energy: -180.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1657.744584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.744584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.744584 (E_RNA) where: Base-Base interactions energy: -998.959 where: short stacking energy: -471.628 Base-Backbone interact. energy: -5.199 local terms energy: -653.587431 where: bonds (distance) C4'-P energy: -141.670 bonds (distance) P-C4' energy: -151.060 flat angles C4'-P-C4' energy: -163.228 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -107.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1541.188276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.188276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.188276 (E_RNA) where: Base-Base interactions energy: -880.829 where: short stacking energy: -493.145 Base-Backbone interact. energy: -2.772 local terms energy: -657.587208 where: bonds (distance) C4'-P energy: -148.520 bonds (distance) P-C4' energy: -134.464 flat angles C4'-P-C4' energy: -148.367 flat angles P-C4'-P energy: -100.128 tors. eta vs tors. theta energy: -126.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1253.207565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.207565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.207565 (E_RNA) where: Base-Base interactions energy: -668.031 where: short stacking energy: -379.781 Base-Backbone interact. energy: -1.502 local terms energy: -583.675171 where: bonds (distance) C4'-P energy: -153.421 bonds (distance) P-C4' energy: -141.257 flat angles C4'-P-C4' energy: -128.157 flat angles P-C4'-P energy: -86.884 tors. eta vs tors. theta energy: -73.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1252.036615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.036615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.036615 (E_RNA) where: Base-Base interactions energy: -708.481 where: short stacking energy: -391.512 Base-Backbone interact. energy: 0.897 local terms energy: -544.452590 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -130.564 flat angles C4'-P-C4' energy: -127.623 flat angles P-C4'-P energy: -82.389 tors. eta vs tors. theta energy: -87.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1080.412577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.412577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.412577 (E_RNA) where: Base-Base interactions energy: -558.866 where: short stacking energy: -307.257 Base-Backbone interact. energy: -0.937 local terms energy: -520.610429 where: bonds (distance) C4'-P energy: -145.067 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -128.393 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -43.891 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: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -932.455893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.455893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.455893 (E_RNA) where: Base-Base interactions energy: -475.794 where: short stacking energy: -269.842 Base-Backbone interact. energy: -2.994 local terms energy: -453.668224 where: bonds (distance) C4'-P energy: -136.839 bonds (distance) P-C4' energy: -122.999 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: -13.185 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: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -744.601100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.601100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.601100 (E_RNA) where: Base-Base interactions energy: -315.514 where: short stacking energy: -217.290 Base-Backbone interact. energy: 7.827 local terms energy: -436.913886 where: bonds (distance) C4'-P energy: -101.306 bonds (distance) P-C4' energy: -134.888 flat angles C4'-P-C4' energy: -128.323 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -668.955731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.955731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.955731 (E_RNA) where: Base-Base interactions energy: -274.367 where: short stacking energy: -180.932 Base-Backbone interact. energy: 8.896 local terms energy: -403.484012 where: bonds (distance) C4'-P energy: -122.842 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -101.935 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: 29.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -606.067580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.067580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.067580 (E_RNA) where: Base-Base interactions energy: -223.716 where: short stacking energy: -161.014 Base-Backbone interact. energy: 1.235 local terms energy: -383.586402 where: bonds (distance) C4'-P energy: -147.175 bonds (distance) P-C4' energy: -115.865 flat angles C4'-P-C4' energy: -91.566 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: 25.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1934.412097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.412097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.412097 (E_RNA) where: Base-Base interactions energy: -1166.677 where: short stacking energy: -636.103 Base-Backbone interact. energy: -1.969 local terms energy: -765.766776 where: bonds (distance) C4'-P energy: -155.617 bonds (distance) P-C4' energy: -161.376 flat angles C4'-P-C4' energy: -174.457 flat angles P-C4'-P energy: -91.617 tors. eta vs tors. theta energy: -182.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1657.039054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.039054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.039054 (E_RNA) where: Base-Base interactions energy: -1008.327 where: short stacking energy: -474.491 Base-Backbone interact. energy: -5.381 local terms energy: -643.331273 where: bonds (distance) C4'-P energy: -133.315 bonds (distance) P-C4' energy: -162.350 flat angles C4'-P-C4' energy: -147.711 flat angles P-C4'-P energy: -95.321 tors. eta vs tors. theta energy: -104.633 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1574.247315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.247315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.247315 (E_RNA) where: Base-Base interactions energy: -935.141 where: short stacking energy: -505.476 Base-Backbone interact. energy: -1.111 local terms energy: -637.994813 where: bonds (distance) C4'-P energy: -142.736 bonds (distance) P-C4' energy: -131.392 flat angles C4'-P-C4' energy: -149.811 flat angles P-C4'-P energy: -98.232 tors. eta vs tors. theta energy: -115.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1414.082750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.082750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.082750 (E_RNA) where: Base-Base interactions energy: -778.449 where: short stacking energy: -445.391 Base-Backbone interact. energy: 4.745 local terms energy: -640.378622 where: bonds (distance) C4'-P energy: -157.224 bonds (distance) P-C4' energy: -147.978 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -93.376 tors. eta vs tors. theta energy: -95.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1187.336971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.336971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.336971 (E_RNA) where: Base-Base interactions energy: -608.208 where: short stacking energy: -335.701 Base-Backbone interact. energy: -2.272 local terms energy: -576.857085 where: bonds (distance) C4'-P energy: -138.630 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -138.961 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -72.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1124.325606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.325606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.325606 (E_RNA) where: Base-Base interactions energy: -607.618 where: short stacking energy: -331.179 Base-Backbone interact. energy: -2.173 local terms energy: -514.534067 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -120.075 flat angles C4'-P-C4' energy: -117.425 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -51.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -972.322802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.322802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.322802 (E_RNA) where: Base-Base interactions energy: -471.780 where: short stacking energy: -296.978 Base-Backbone interact. energy: -3.606 local terms energy: -496.937106 where: bonds (distance) C4'-P energy: -137.650 bonds (distance) P-C4' energy: -143.051 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -66.915 tors. eta vs tors. theta energy: -41.644 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: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -786.665076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.665076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.665076 (E_RNA) where: Base-Base interactions energy: -341.369 where: short stacking energy: -190.021 Base-Backbone interact. energy: 2.408 local terms energy: -447.704095 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -143.928 flat angles C4'-P-C4' energy: -110.030 flat angles P-C4'-P energy: -74.777 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -634.847229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.847229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.847229 (E_RNA) where: Base-Base interactions energy: -229.015 where: short stacking energy: -163.205 Base-Backbone interact. energy: 2.584 local terms energy: -408.415738 where: bonds (distance) C4'-P energy: -121.284 bonds (distance) P-C4' energy: -117.161 flat angles C4'-P-C4' energy: -124.223 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: 20.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -642.349337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.349337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.349337 (E_RNA) where: Base-Base interactions energy: -271.159 where: short stacking energy: -164.517 Base-Backbone interact. energy: -3.181 local terms energy: -368.009306 where: bonds (distance) C4'-P energy: -129.319 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -97.718 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: 28.824 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: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1995.375925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.375925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.375925 (E_RNA) where: Base-Base interactions energy: -1253.416 where: short stacking energy: -633.022 Base-Backbone interact. energy: -0.657 local terms energy: -741.302160 where: bonds (distance) C4'-P energy: -147.281 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -114.651 tors. eta vs tors. theta energy: -173.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1658.611224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.611224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.611224 (E_RNA) where: Base-Base interactions energy: -1002.261 where: short stacking energy: -473.315 Base-Backbone interact. energy: -5.278 local terms energy: -651.072955 where: bonds (distance) C4'-P energy: -149.765 bonds (distance) P-C4' energy: -140.004 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -100.533 tors. eta vs tors. theta energy: -108.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1599.834801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.834801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.834801 (E_RNA) where: Base-Base interactions energy: -972.263 where: short stacking energy: -514.655 Base-Backbone interact. energy: -6.890 local terms energy: -620.681916 where: bonds (distance) C4'-P energy: -123.359 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -122.236 flat angles P-C4'-P energy: -113.090 tors. eta vs tors. theta energy: -112.622 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: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1424.509591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.509591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.509591 (E_RNA) where: Base-Base interactions energy: -848.551 where: short stacking energy: -428.410 Base-Backbone interact. energy: -0.392 local terms energy: -575.566810 where: bonds (distance) C4'-P energy: -145.941 bonds (distance) P-C4' energy: -138.035 flat angles C4'-P-C4' energy: -132.810 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -79.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1244.881254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.881254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.881254 (E_RNA) where: Base-Base interactions energy: -668.738 where: short stacking energy: -370.524 Base-Backbone interact. energy: 0.468 local terms energy: -576.610597 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -105.430 tors. eta vs tors. theta energy: -75.743 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: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1045.833919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.833919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.833919 (E_RNA) where: Base-Base interactions energy: -527.698 where: short stacking energy: -342.913 Base-Backbone interact. energy: -1.024 local terms energy: -517.112062 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -126.835 flat angles C4'-P-C4' energy: -120.768 flat angles P-C4'-P energy: -84.846 tors. eta vs tors. theta energy: -60.742 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1038.052719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.052719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.052719 (E_RNA) where: Base-Base interactions energy: -532.163 where: short stacking energy: -309.395 Base-Backbone interact. energy: 2.000 local terms energy: -507.889572 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -103.762 flat angles C4'-P-C4' energy: -143.871 flat angles P-C4'-P energy: -82.835 tors. eta vs tors. theta energy: -39.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -735.919040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.919040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.919040 (E_RNA) where: Base-Base interactions energy: -279.444 where: short stacking energy: -187.521 Base-Backbone interact. energy: 8.683 local terms energy: -465.157994 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -138.271 flat angles C4'-P-C4' energy: -128.232 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: 9.273 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: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -703.844887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.844887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.844887 (E_RNA) where: Base-Base interactions energy: -270.272 where: short stacking energy: -162.843 Base-Backbone interact. energy: 0.131 local terms energy: -433.704387 where: bonds (distance) C4'-P energy: -122.559 bonds (distance) P-C4' energy: -142.742 flat angles C4'-P-C4' energy: -110.274 flat angles P-C4'-P energy: -80.337 tors. eta vs tors. theta energy: 22.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -538.821194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.821194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.821194 (E_RNA) where: Base-Base interactions energy: -137.603 where: short stacking energy: -106.342 Base-Backbone interact. energy: 0.397 local terms energy: -401.614656 where: bonds (distance) C4'-P energy: -102.834 bonds (distance) P-C4' energy: -150.300 flat angles C4'-P-C4' energy: -104.156 flat angles P-C4'-P energy: -77.334 tors. eta vs tors. theta energy: 33.009 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: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2018.202370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.202370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.202370 (E_RNA) where: Base-Base interactions energy: -1280.715 where: short stacking energy: -635.224 Base-Backbone interact. energy: -3.358 local terms energy: -734.129180 where: bonds (distance) C4'-P energy: -144.336 bonds (distance) P-C4' energy: -147.521 flat angles C4'-P-C4' energy: -161.998 flat angles P-C4'-P energy: -116.940 tors. eta vs tors. theta energy: -163.335 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1732.371806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.371806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.371806 (E_RNA) where: Base-Base interactions energy: -1041.084 where: short stacking energy: -520.601 Base-Backbone interact. energy: -2.486 local terms energy: -688.801661 where: bonds (distance) C4'-P energy: -166.010 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -156.275 flat angles P-C4'-P energy: -92.375 tors. eta vs tors. theta energy: -133.303 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: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1594.778260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.778260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.778260 (E_RNA) where: Base-Base interactions energy: -943.009 where: short stacking energy: -458.030 Base-Backbone interact. energy: -0.202 local terms energy: -651.566772 where: bonds (distance) C4'-P energy: -145.326 bonds (distance) P-C4' energy: -158.688 flat angles C4'-P-C4' energy: -148.849 flat angles P-C4'-P energy: -95.474 tors. eta vs tors. theta energy: -103.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1529.398598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.398598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.398598 (E_RNA) where: Base-Base interactions energy: -925.547 where: short stacking energy: -453.916 Base-Backbone interact. energy: 1.595 local terms energy: -605.447025 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -128.698 flat angles C4'-P-C4' energy: -145.070 flat angles P-C4'-P energy: -99.044 tors. eta vs tors. theta energy: -104.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1392.556345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.556345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.556345 (E_RNA) where: Base-Base interactions energy: -804.756 where: short stacking energy: -439.925 Base-Backbone interact. energy: -2.463 local terms energy: -585.336833 where: bonds (distance) C4'-P energy: -118.560 bonds (distance) P-C4' energy: -136.631 flat angles C4'-P-C4' energy: -151.315 flat angles P-C4'-P energy: -84.141 tors. eta vs tors. theta energy: -94.689 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: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1084.347623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.347623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.347623 (E_RNA) where: Base-Base interactions energy: -573.041 where: short stacking energy: -311.920 Base-Backbone interact. energy: -0.789 local terms energy: -510.517949 where: bonds (distance) C4'-P energy: -133.146 bonds (distance) P-C4' energy: -142.859 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -49.950 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: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1053.416621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.416621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.416621 (E_RNA) where: Base-Base interactions energy: -590.342 where: short stacking energy: -324.380 Base-Backbone interact. energy: 0.971 local terms energy: -464.045252 where: bonds (distance) C4'-P energy: -102.931 bonds (distance) P-C4' energy: -145.125 flat angles C4'-P-C4' energy: -113.887 flat angles P-C4'-P energy: -63.597 tors. eta vs tors. theta energy: -38.506 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: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -753.175128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.175128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.175128 (E_RNA) where: Base-Base interactions energy: -320.641 where: short stacking energy: -202.183 Base-Backbone interact. energy: 0.343 local terms energy: -432.878048 where: bonds (distance) C4'-P energy: -125.865 bonds (distance) P-C4' energy: -116.651 flat angles C4'-P-C4' energy: -101.919 flat angles P-C4'-P energy: -82.045 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -741.752499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.752499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.752499 (E_RNA) where: Base-Base interactions energy: -352.643 where: short stacking energy: -207.086 Base-Backbone interact. energy: -0.121 local terms energy: -388.987629 where: bonds (distance) C4'-P energy: -99.593 bonds (distance) P-C4' energy: -128.559 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -56.230 tors. eta vs tors. theta energy: 5.156 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: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -554.420876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.420876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.420876 (E_RNA) where: Base-Base interactions energy: -203.463 where: short stacking energy: -151.561 Base-Backbone interact. energy: 2.293 local terms energy: -353.250631 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -135.199 flat angles C4'-P-C4' energy: -88.347 flat angles P-C4'-P energy: -45.816 tors. eta vs tors. theta energy: 44.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2037.425867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.425867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.425867 (E_RNA) where: Base-Base interactions energy: -1266.224 where: short stacking energy: -629.383 Base-Backbone interact. energy: -2.833 local terms energy: -768.368111 where: bonds (distance) C4'-P energy: -155.464 bonds (distance) P-C4' energy: -164.483 flat angles C4'-P-C4' energy: -164.529 flat angles P-C4'-P energy: -120.894 tors. eta vs tors. theta energy: -162.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1728.405996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.405996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.405996 (E_RNA) where: Base-Base interactions energy: -1047.870 where: short stacking energy: -511.278 Base-Backbone interact. energy: -1.206 local terms energy: -679.330029 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -154.591 flat angles C4'-P-C4' energy: -155.378 flat angles P-C4'-P energy: -93.147 tors. eta vs tors. theta energy: -127.099 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1693.053486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.053486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.053486 (E_RNA) where: Base-Base interactions energy: -998.271 where: short stacking energy: -492.667 Base-Backbone interact. energy: -4.556 local terms energy: -690.226087 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -147.662 flat angles P-C4'-P energy: -112.739 tors. eta vs tors. theta energy: -129.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1533.976021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.976021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.976021 (E_RNA) where: Base-Base interactions energy: -949.534 where: short stacking energy: -431.441 Base-Backbone interact. energy: -4.317 local terms energy: -580.125569 where: bonds (distance) C4'-P energy: -145.517 bonds (distance) P-C4' energy: -134.769 flat angles C4'-P-C4' energy: -122.299 flat angles P-C4'-P energy: -93.117 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: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1415.824960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.824960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.824960 (E_RNA) where: Base-Base interactions energy: -802.971 where: short stacking energy: -436.700 Base-Backbone interact. energy: 0.257 local terms energy: -613.110908 where: bonds (distance) C4'-P energy: -152.380 bonds (distance) P-C4' energy: -139.652 flat angles C4'-P-C4' energy: -138.563 flat angles P-C4'-P energy: -83.434 tors. eta vs tors. theta energy: -99.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1008.118950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.118950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.118950 (E_RNA) where: Base-Base interactions energy: -499.999 where: short stacking energy: -276.762 Base-Backbone interact. energy: 0.389 local terms energy: -508.509403 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -143.716 flat angles C4'-P-C4' energy: -134.067 flat angles P-C4'-P energy: -92.225 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1058.140665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.140665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.140665 (E_RNA) where: Base-Base interactions energy: -579.354 where: short stacking energy: -262.376 Base-Backbone interact. energy: -3.635 local terms energy: -475.151076 where: bonds (distance) C4'-P energy: -111.485 bonds (distance) P-C4' energy: -129.042 flat angles C4'-P-C4' energy: -106.078 flat angles P-C4'-P energy: -102.569 tors. eta vs tors. theta energy: -25.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -911.134262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.134262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.134262 (E_RNA) where: Base-Base interactions energy: -446.850 where: short stacking energy: -218.520 Base-Backbone interact. energy: -1.266 local terms energy: -463.017690 where: bonds (distance) C4'-P energy: -136.216 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -114.841 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -15.951 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -725.818407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.818407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.818407 (E_RNA) where: Base-Base interactions energy: -294.912 where: short stacking energy: -184.645 Base-Backbone interact. energy: -1.825 local terms energy: -429.081331 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -135.107 flat angles C4'-P-C4' energy: -117.565 flat angles P-C4'-P energy: -75.655 tors. eta vs tors. theta energy: 11.695 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: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -568.039286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.039286 (E_RNA) where: Base-Base interactions energy: -179.682 where: short stacking energy: -161.949 Base-Backbone interact. energy: 0.734 local terms energy: -389.091639 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -113.605 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: 29.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2056.348352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.348352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.348352 (E_RNA) where: Base-Base interactions energy: -1266.953 where: short stacking energy: -648.110 Base-Backbone interact. energy: 0.514 local terms energy: -789.909516 where: bonds (distance) C4'-P energy: -143.876 bonds (distance) P-C4' energy: -157.322 flat angles C4'-P-C4' energy: -175.949 flat angles P-C4'-P energy: -118.249 tors. eta vs tors. theta energy: -194.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1794.807853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.807853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.807853 (E_RNA) where: Base-Base interactions energy: -1100.893 where: short stacking energy: -573.575 Base-Backbone interact. energy: -4.309 local terms energy: -689.606194 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -148.970 flat angles C4'-P-C4' energy: -161.071 flat angles P-C4'-P energy: -105.957 tors. eta vs tors. theta energy: -133.264 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: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1690.287449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.287449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.287449 (E_RNA) where: Base-Base interactions energy: -1028.351 where: short stacking energy: -515.934 Base-Backbone interact. energy: -1.733 local terms energy: -660.203379 where: bonds (distance) C4'-P energy: -136.429 bonds (distance) P-C4' energy: -145.491 flat angles C4'-P-C4' energy: -157.457 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -122.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1606.665837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.665837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.665837 (E_RNA) where: Base-Base interactions energy: -977.609 where: short stacking energy: -456.919 Base-Backbone interact. energy: -0.815 local terms energy: -628.242318 where: bonds (distance) C4'-P energy: -139.232 bonds (distance) P-C4' energy: -132.630 flat angles C4'-P-C4' energy: -151.476 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -126.921 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: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1397.183723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.183723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.183723 (E_RNA) where: Base-Base interactions energy: -817.172 where: short stacking energy: -439.859 Base-Backbone interact. energy: -1.186 local terms energy: -578.825770 where: bonds (distance) C4'-P energy: -132.891 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -86.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1102.908779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.908779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.908779 (E_RNA) where: Base-Base interactions energy: -567.368 where: short stacking energy: -333.181 Base-Backbone interact. energy: -0.041 local terms energy: -535.500296 where: bonds (distance) C4'-P energy: -140.517 bonds (distance) P-C4' energy: -144.015 flat angles C4'-P-C4' energy: -136.261 flat angles P-C4'-P energy: -53.915 tors. eta vs tors. theta energy: -60.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -873.508220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.508220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.508220 (E_RNA) where: Base-Base interactions energy: -353.856 where: short stacking energy: -201.920 Base-Backbone interact. energy: -5.783 local terms energy: -513.869503 where: bonds (distance) C4'-P energy: -159.181 bonds (distance) P-C4' energy: -154.623 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -0.982 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: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -917.104142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.104142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.104142 (E_RNA) where: Base-Base interactions energy: -474.845 where: short stacking energy: -258.013 Base-Backbone interact. energy: 0.640 local terms energy: -442.899485 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -140.700 flat angles C4'-P-C4' energy: -139.838 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: 2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -649.606096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.606096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.606096 (E_RNA) where: Base-Base interactions energy: -261.165 where: short stacking energy: -184.782 Base-Backbone interact. energy: 1.143 local terms energy: -389.584045 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -118.821 flat angles C4'-P-C4' energy: -99.554 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: 9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -587.370881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.370881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.370881 (E_RNA) where: Base-Base interactions energy: -180.574 where: short stacking energy: -145.567 Base-Backbone interact. energy: -1.362 local terms energy: -405.435241 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -134.668 flat angles C4'-P-C4' energy: -117.469 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: 22.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2052.446011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.446011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.446011 (E_RNA) where: Base-Base interactions energy: -1272.066 where: short stacking energy: -661.516 Base-Backbone interact. energy: -1.824 local terms energy: -778.556207 where: bonds (distance) C4'-P energy: -155.155 bonds (distance) P-C4' energy: -157.619 flat angles C4'-P-C4' energy: -166.584 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -187.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1797.587738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.587738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.587738 (E_RNA) where: Base-Base interactions energy: -1110.199 where: short stacking energy: -542.452 Base-Backbone interact. energy: -3.407 local terms energy: -683.981690 where: bonds (distance) C4'-P energy: -139.122 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -153.884 flat angles P-C4'-P energy: -97.966 tors. eta vs tors. theta energy: -145.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1754.481509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.481509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.481509 (E_RNA) where: Base-Base interactions energy: -1058.222 where: short stacking energy: -551.283 Base-Backbone interact. energy: -3.043 local terms energy: -693.216183 where: bonds (distance) C4'-P energy: -126.120 bonds (distance) P-C4' energy: -156.766 flat angles C4'-P-C4' energy: -166.720 flat angles P-C4'-P energy: -105.442 tors. eta vs tors. theta energy: -138.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1693.278712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.278712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.278712 (E_RNA) where: Base-Base interactions energy: -1033.399 where: short stacking energy: -476.316 Base-Backbone interact. energy: -0.305 local terms energy: -659.574014 where: bonds (distance) C4'-P energy: -143.993 bonds (distance) P-C4' energy: -140.545 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -110.420 tors. eta vs tors. theta energy: -107.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1414.312480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.312480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.312480 (E_RNA) where: Base-Base interactions energy: -823.922 where: short stacking energy: -441.603 Base-Backbone interact. energy: -1.299 local terms energy: -589.090963 where: bonds (distance) C4'-P energy: -134.096 bonds (distance) P-C4' energy: -134.411 flat angles C4'-P-C4' energy: -148.604 flat angles P-C4'-P energy: -71.255 tors. eta vs tors. theta energy: -100.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1115.888626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.888626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.888626 (E_RNA) where: Base-Base interactions energy: -604.861 where: short stacking energy: -330.557 Base-Backbone interact. energy: -3.132 local terms energy: -507.895589 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -133.523 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -41.890 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: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -965.286716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.286716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.286716 (E_RNA) where: Base-Base interactions energy: -510.421 where: short stacking energy: -294.515 Base-Backbone interact. energy: 10.533 local terms energy: -465.398224 where: bonds (distance) C4'-P energy: -112.201 bonds (distance) P-C4' energy: -135.786 flat angles C4'-P-C4' energy: -114.749 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -30.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -851.751434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.751434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.751434 (E_RNA) where: Base-Base interactions energy: -378.957 where: short stacking energy: -225.709 Base-Backbone interact. energy: -3.127 local terms energy: -469.667403 where: bonds (distance) C4'-P energy: -144.596 bonds (distance) P-C4' energy: -135.556 flat angles C4'-P-C4' energy: -109.349 flat angles P-C4'-P energy: -49.705 tors. eta vs tors. theta energy: -30.462 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: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -634.051602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.051602 (E_RNA) where: Base-Base interactions energy: -201.982 where: short stacking energy: -149.582 Base-Backbone interact. energy: -5.478 local terms energy: -426.592079 where: bonds (distance) C4'-P energy: -125.070 bonds (distance) P-C4' energy: -130.629 flat angles C4'-P-C4' energy: -120.488 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: 12.492 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: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -624.919821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.919821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.919821 (E_RNA) where: Base-Base interactions energy: -246.987 where: short stacking energy: -169.447 Base-Backbone interact. energy: 1.669 local terms energy: -379.601697 where: bonds (distance) C4'-P energy: -98.528 bonds (distance) P-C4' energy: -113.723 flat angles C4'-P-C4' energy: -120.224 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: 23.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2037.283711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.283711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.283711 (E_RNA) where: Base-Base interactions energy: -1271.350 where: short stacking energy: -661.327 Base-Backbone interact. energy: 0.258 local terms energy: -766.192426 where: bonds (distance) C4'-P energy: -163.732 bonds (distance) P-C4' energy: -148.726 flat angles C4'-P-C4' energy: -167.599 flat angles P-C4'-P energy: -104.868 tors. eta vs tors. theta energy: -181.267 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: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1800.063093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.063093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.063093 (E_RNA) where: Base-Base interactions energy: -1077.031 where: short stacking energy: -562.765 Base-Backbone interact. energy: -5.036 local terms energy: -717.996430 where: bonds (distance) C4'-P energy: -148.398 bonds (distance) P-C4' energy: -153.880 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -149.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1735.761393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.761393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.761393 (E_RNA) where: Base-Base interactions energy: -1071.441 where: short stacking energy: -528.297 Base-Backbone interact. energy: -1.504 local terms energy: -662.816367 where: bonds (distance) C4'-P energy: -144.857 bonds (distance) P-C4' energy: -146.113 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -76.925 tors. eta vs tors. theta energy: -136.895 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: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1732.412918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.412918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.412918 (E_RNA) where: Base-Base interactions energy: -1127.592 where: short stacking energy: -492.404 Base-Backbone interact. energy: 1.734 local terms energy: -606.554446 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -139.047 flat angles C4'-P-C4' energy: -138.354 flat angles P-C4'-P energy: -85.495 tors. eta vs tors. theta energy: -100.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1475.178085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.178085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.178085 (E_RNA) where: Base-Base interactions energy: -900.102 where: short stacking energy: -428.922 Base-Backbone interact. energy: 0.336 local terms energy: -575.412682 where: bonds (distance) C4'-P energy: -121.559 bonds (distance) P-C4' energy: -136.178 flat angles C4'-P-C4' energy: -149.244 flat angles P-C4'-P energy: -79.952 tors. eta vs tors. theta energy: -88.480 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: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1128.956868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.956868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.956868 (E_RNA) where: Base-Base interactions energy: -592.820 where: short stacking energy: -299.784 Base-Backbone interact. energy: -2.118 local terms energy: -534.018945 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -147.586 flat angles C4'-P-C4' energy: -133.365 flat angles P-C4'-P energy: -73.132 tors. eta vs tors. theta energy: -45.175 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: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1093.918612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.918612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.918612 (E_RNA) where: Base-Base interactions energy: -609.697 where: short stacking energy: -367.554 Base-Backbone interact. energy: 0.463 local terms energy: -484.684930 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -129.198 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -60.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -867.244824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.244824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.244824 (E_RNA) where: Base-Base interactions energy: -423.128 where: short stacking energy: -244.136 Base-Backbone interact. energy: 0.129 local terms energy: -444.245898 where: bonds (distance) C4'-P energy: -123.129 bonds (distance) P-C4' energy: -123.732 flat angles C4'-P-C4' energy: -119.492 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -0.237 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -661.255856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.255856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.255856 (E_RNA) where: Base-Base interactions energy: -271.707 where: short stacking energy: -166.426 Base-Backbone interact. energy: -1.506 local terms energy: -388.042620 where: bonds (distance) C4'-P energy: -128.699 bonds (distance) P-C4' energy: -131.973 flat angles C4'-P-C4' energy: -95.771 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: 17.694 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: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -610.646224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.646224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.646224 (E_RNA) where: Base-Base interactions energy: -200.988 where: short stacking energy: -146.708 Base-Backbone interact. energy: -3.695 local terms energy: -405.963550 where: bonds (distance) C4'-P energy: -113.331 bonds (distance) P-C4' energy: -136.490 flat angles C4'-P-C4' energy: -104.233 flat angles P-C4'-P energy: -69.126 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: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2104.033689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.033689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.033689 (E_RNA) where: Base-Base interactions energy: -1322.854 where: short stacking energy: -681.010 Base-Backbone interact. energy: -1.648 local terms energy: -779.531363 where: bonds (distance) C4'-P energy: -149.089 bonds (distance) P-C4' energy: -155.932 flat angles C4'-P-C4' energy: -170.677 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -192.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1770.327340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.327340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.327340 (E_RNA) where: Base-Base interactions energy: -1069.216 where: short stacking energy: -501.873 Base-Backbone interact. energy: -2.857 local terms energy: -698.253914 where: bonds (distance) C4'-P energy: -147.225 bonds (distance) P-C4' energy: -149.570 flat angles C4'-P-C4' energy: -156.588 flat angles P-C4'-P energy: -98.294 tors. eta vs tors. theta energy: -146.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1871.748393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.748393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.748393 (E_RNA) where: Base-Base interactions energy: -1192.355 where: short stacking energy: -528.554 Base-Backbone interact. energy: 3.980 local terms energy: -683.373325 where: bonds (distance) C4'-P energy: -139.119 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -159.486 flat angles P-C4'-P energy: -82.872 tors. eta vs tors. theta energy: -142.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1687.269596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.269596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.269596 (E_RNA) where: Base-Base interactions energy: -1040.195 where: short stacking energy: -493.225 Base-Backbone interact. energy: -1.216 local terms energy: -645.858082 where: bonds (distance) C4'-P energy: -131.617 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -155.430 flat angles P-C4'-P energy: -94.269 tors. eta vs tors. theta energy: -121.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1497.591227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.591227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.591227 (E_RNA) where: Base-Base interactions energy: -916.443 where: short stacking energy: -429.987 Base-Backbone interact. energy: 2.510 local terms energy: -583.657830 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -139.433 flat angles C4'-P-C4' energy: -153.057 flat angles P-C4'-P energy: -71.947 tors. eta vs tors. theta energy: -87.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1283.904577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.904577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.904577 (E_RNA) where: Base-Base interactions energy: -745.418 where: short stacking energy: -379.067 Base-Backbone interact. energy: 1.981 local terms energy: -540.467814 where: bonds (distance) C4'-P energy: -134.620 bonds (distance) P-C4' energy: -110.216 flat angles C4'-P-C4' energy: -140.212 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -70.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1047.902931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.902931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.902931 (E_RNA) where: Base-Base interactions energy: -550.535 where: short stacking energy: -281.724 Base-Backbone interact. energy: 0.568 local terms energy: -497.935864 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -132.637 flat angles C4'-P-C4' energy: -134.336 flat angles P-C4'-P energy: -66.864 tors. eta vs tors. theta energy: -34.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -853.231795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.231795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.231795 (E_RNA) where: Base-Base interactions energy: -436.314 where: short stacking energy: -246.769 Base-Backbone interact. energy: -0.767 local terms energy: -416.150970 where: bonds (distance) C4'-P energy: -107.018 bonds (distance) P-C4' energy: -117.431 flat angles C4'-P-C4' energy: -117.104 flat angles P-C4'-P energy: -74.180 tors. eta vs tors. theta energy: -0.419 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: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -740.292609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.292609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.292609 (E_RNA) where: Base-Base interactions energy: -326.610 where: short stacking energy: -174.238 Base-Backbone interact. energy: 0.099 local terms energy: -413.781517 where: bonds (distance) C4'-P energy: -126.654 bonds (distance) P-C4' energy: -128.573 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -79.200 tors. eta vs tors. theta energy: 22.557 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: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -600.674050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.674050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.674050 (E_RNA) where: Base-Base interactions energy: -248.404 where: short stacking energy: -158.827 Base-Backbone interact. energy: 0.080 local terms energy: -352.350642 where: bonds (distance) C4'-P energy: -114.010 bonds (distance) P-C4' energy: -120.904 flat angles C4'-P-C4' energy: -110.130 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: 33.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2058.451328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.451328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.451328 (E_RNA) where: Base-Base interactions energy: -1275.370 where: short stacking energy: -655.860 Base-Backbone interact. energy: -3.160 local terms energy: -779.921397 where: bonds (distance) C4'-P energy: -150.645 bonds (distance) P-C4' energy: -159.760 flat angles C4'-P-C4' energy: -161.344 flat angles P-C4'-P energy: -108.438 tors. eta vs tors. theta energy: -199.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1977.085157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.085157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.085157 (E_RNA) where: Base-Base interactions energy: -1280.636 where: short stacking energy: -608.601 Base-Backbone interact. energy: -1.047 local terms energy: -695.401937 where: bonds (distance) C4'-P energy: -132.133 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -158.279 flat angles P-C4'-P energy: -94.047 tors. eta vs tors. theta energy: -160.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1683.274250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.274250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.274250 (E_RNA) where: Base-Base interactions energy: -1020.496 where: short stacking energy: -524.944 Base-Backbone interact. energy: -0.241 local terms energy: -662.537231 where: bonds (distance) C4'-P energy: -125.801 bonds (distance) P-C4' energy: -142.470 flat angles C4'-P-C4' energy: -167.337 flat angles P-C4'-P energy: -86.768 tors. eta vs tors. theta energy: -140.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1794.437018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.437018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.437018 (E_RNA) where: Base-Base interactions energy: -1135.790 where: short stacking energy: -562.523 Base-Backbone interact. energy: -3.507 local terms energy: -655.140298 where: bonds (distance) C4'-P energy: -153.011 bonds (distance) P-C4' energy: -123.334 flat angles C4'-P-C4' energy: -139.725 flat angles P-C4'-P energy: -97.258 tors. eta vs tors. theta energy: -141.812 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: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1459.935814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.935814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.935814 (E_RNA) where: Base-Base interactions energy: -889.208 where: short stacking energy: -451.863 Base-Backbone interact. energy: -3.018 local terms energy: -567.709241 where: bonds (distance) C4'-P energy: -128.015 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -133.775 flat angles P-C4'-P energy: -76.596 tors. eta vs tors. theta energy: -92.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1329.090340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.090340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.090340 (E_RNA) where: Base-Base interactions energy: -797.256 where: short stacking energy: -360.759 Base-Backbone interact. energy: 1.223 local terms energy: -533.057963 where: bonds (distance) C4'-P energy: -115.782 bonds (distance) P-C4' energy: -143.664 flat angles C4'-P-C4' energy: -134.588 flat angles P-C4'-P energy: -69.945 tors. eta vs tors. theta energy: -69.079 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: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1086.406505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.406505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.406505 (E_RNA) where: Base-Base interactions energy: -588.949 where: short stacking energy: -335.527 Base-Backbone interact. energy: -1.420 local terms energy: -496.037036 where: bonds (distance) C4'-P energy: -106.033 bonds (distance) P-C4' energy: -125.530 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -81.041 tors. eta vs tors. theta energy: -44.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -894.832871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.832871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.832871 (E_RNA) where: Base-Base interactions energy: -420.576 where: short stacking energy: -251.257 Base-Backbone interact. energy: 2.320 local terms energy: -476.576342 where: bonds (distance) C4'-P energy: -136.448 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -111.997 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -24.316 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: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -697.827997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.827997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.827997 (E_RNA) where: Base-Base interactions energy: -299.687 where: short stacking energy: -199.936 Base-Backbone interact. energy: -2.114 local terms energy: -396.027247 where: bonds (distance) C4'-P energy: -117.383 bonds (distance) P-C4' energy: -157.726 flat angles C4'-P-C4' energy: -72.640 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: 10.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -573.523115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.523115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.523115 (E_RNA) where: Base-Base interactions energy: -229.082 where: short stacking energy: -170.097 Base-Backbone interact. energy: 1.482 local terms energy: -345.923124 where: bonds (distance) C4'-P energy: -104.327 bonds (distance) P-C4' energy: -119.938 flat angles C4'-P-C4' energy: -105.804 flat angles P-C4'-P energy: -35.947 tors. eta vs tors. theta energy: 20.093 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2071.434450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.434450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.434450 (E_RNA) where: Base-Base interactions energy: -1325.161 where: short stacking energy: -623.679 Base-Backbone interact. energy: -2.750 local terms energy: -743.523157 where: bonds (distance) C4'-P energy: -138.333 bonds (distance) P-C4' energy: -165.587 flat angles C4'-P-C4' energy: -164.854 flat angles P-C4'-P energy: -111.288 tors. eta vs tors. theta energy: -163.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2010.564359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.564359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.564359 (E_RNA) where: Base-Base interactions energy: -1287.643 where: short stacking energy: -644.677 Base-Backbone interact. energy: -0.905 local terms energy: -722.016582 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -146.262 flat angles C4'-P-C4' energy: -156.002 flat angles P-C4'-P energy: -109.695 tors. eta vs tors. theta energy: -184.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1865.277446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.277446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.277446 (E_RNA) where: Base-Base interactions energy: -1180.700 where: short stacking energy: -552.640 Base-Backbone interact. energy: -4.205 local terms energy: -680.372673 where: bonds (distance) C4'-P energy: -134.657 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -151.347 flat angles P-C4'-P energy: -97.662 tors. eta vs tors. theta energy: -146.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1614.311041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.311041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.311041 (E_RNA) where: Base-Base interactions energy: -976.981 where: short stacking energy: -459.243 Base-Backbone interact. energy: -3.089 local terms energy: -634.240472 where: bonds (distance) C4'-P energy: -143.412 bonds (distance) P-C4' energy: -154.719 flat angles C4'-P-C4' energy: -139.830 flat angles P-C4'-P energy: -90.799 tors. eta vs tors. theta energy: -105.481 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: 26 Temperature: 1.100000 Total energy: -1537.427174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.427174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.427174 (E_RNA) where: Base-Base interactions energy: -935.165 where: short stacking energy: -453.246 Base-Backbone interact. energy: -0.493 local terms energy: -601.769703 where: bonds (distance) C4'-P energy: -132.926 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -136.550 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -100.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1379.889884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.889884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.889884 (E_RNA) where: Base-Base interactions energy: -855.496 where: short stacking energy: -395.345 Base-Backbone interact. energy: -1.583 local terms energy: -522.811534 where: bonds (distance) C4'-P energy: -108.937 bonds (distance) P-C4' energy: -142.110 flat angles C4'-P-C4' energy: -120.446 flat angles P-C4'-P energy: -80.228 tors. eta vs tors. theta energy: -71.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1011.066208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.066208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.066208 (E_RNA) where: Base-Base interactions energy: -502.743 where: short stacking energy: -294.199 Base-Backbone interact. energy: 0.456 local terms energy: -508.779102 where: bonds (distance) C4'-P energy: -135.265 bonds (distance) P-C4' energy: -140.696 flat angles C4'-P-C4' energy: -133.817 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: -21.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -875.890634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.890634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.890634 (E_RNA) where: Base-Base interactions energy: -417.473 where: short stacking energy: -269.170 Base-Backbone interact. energy: 0.136 local terms energy: -458.553391 where: bonds (distance) C4'-P energy: -123.711 bonds (distance) P-C4' energy: -122.711 flat angles C4'-P-C4' energy: -105.781 flat angles P-C4'-P energy: -81.917 tors. eta vs tors. theta energy: -24.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -677.182173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.182173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.182173 (E_RNA) where: Base-Base interactions energy: -220.548 where: short stacking energy: -160.353 Base-Backbone interact. energy: 6.464 local terms energy: -463.098814 where: bonds (distance) C4'-P energy: -130.845 bonds (distance) P-C4' energy: -135.224 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -71.303 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -622.888992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.888992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.888992 (E_RNA) where: Base-Base interactions energy: -245.218 where: short stacking energy: -165.597 Base-Backbone interact. energy: 0.789 local terms energy: -378.459555 where: bonds (distance) C4'-P energy: -115.778 bonds (distance) P-C4' energy: -127.194 flat angles C4'-P-C4' energy: -113.073 flat angles P-C4'-P energy: -47.275 tors. eta vs tors. theta energy: 24.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2089.101414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.101414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.101414 (E_RNA) where: Base-Base interactions energy: -1361.429 where: short stacking energy: -624.262 Base-Backbone interact. energy: -1.625 local terms energy: -726.046908 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -159.413 flat angles C4'-P-C4' energy: -161.754 flat angles P-C4'-P energy: -88.417 tors. eta vs tors. theta energy: -173.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1963.172212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.172212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.172212 (E_RNA) where: Base-Base interactions energy: -1233.025 where: short stacking energy: -615.916 Base-Backbone interact. energy: 3.409 local terms energy: -733.556878 where: bonds (distance) C4'-P energy: -145.108 bonds (distance) P-C4' energy: -153.635 flat angles C4'-P-C4' energy: -155.567 flat angles P-C4'-P energy: -99.113 tors. eta vs tors. theta energy: -180.133 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1887.706838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.706838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.706838 (E_RNA) where: Base-Base interactions energy: -1204.222 where: short stacking energy: -533.410 Base-Backbone interact. energy: -2.988 local terms energy: -680.496613 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -137.481 flat angles C4'-P-C4' energy: -163.850 flat angles P-C4'-P energy: -117.201 tors. eta vs tors. theta energy: -135.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1709.534844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.534844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.534844 (E_RNA) where: Base-Base interactions energy: -1035.529 where: short stacking energy: -499.319 Base-Backbone interact. energy: 1.459 local terms energy: -675.464426 where: bonds (distance) C4'-P energy: -151.922 bonds (distance) P-C4' energy: -148.012 flat angles C4'-P-C4' energy: -149.310 flat angles P-C4'-P energy: -93.720 tors. eta vs tors. theta energy: -132.500 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: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1532.116387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.116387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.116387 (E_RNA) where: Base-Base interactions energy: -954.742 where: short stacking energy: -444.742 Base-Backbone interact. energy: 1.325 local terms energy: -578.699860 where: bonds (distance) C4'-P energy: -136.665 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -125.060 flat angles P-C4'-P energy: -79.815 tors. eta vs tors. theta energy: -86.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1396.278029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.278029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.278029 (E_RNA) where: Base-Base interactions energy: -827.300 where: short stacking energy: -411.624 Base-Backbone interact. energy: 2.891 local terms energy: -571.869511 where: bonds (distance) C4'-P energy: -127.054 bonds (distance) P-C4' energy: -142.711 flat angles C4'-P-C4' energy: -132.890 flat angles P-C4'-P energy: -80.934 tors. eta vs tors. theta energy: -88.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1047.349945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.349945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.349945 (E_RNA) where: Base-Base interactions energy: -557.016 where: short stacking energy: -271.927 Base-Backbone interact. energy: -3.551 local terms energy: -486.783199 where: bonds (distance) C4'-P energy: -127.735 bonds (distance) P-C4' energy: -126.829 flat angles C4'-P-C4' energy: -134.910 flat angles P-C4'-P energy: -82.276 tors. eta vs tors. theta energy: -15.034 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: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -875.265333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.265333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.265333 (E_RNA) where: Base-Base interactions energy: -404.175 where: short stacking energy: -228.137 Base-Backbone interact. energy: 0.476 local terms energy: -471.566007 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -114.785 flat angles C4'-P-C4' energy: -125.073 flat angles P-C4'-P energy: -82.531 tors. eta vs tors. theta energy: -19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -666.998097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.998097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.998097 (E_RNA) where: Base-Base interactions energy: -257.157 where: short stacking energy: -185.423 Base-Backbone interact. energy: -3.323 local terms energy: -406.518153 where: bonds (distance) C4'-P energy: -113.150 bonds (distance) P-C4' energy: -140.261 flat angles C4'-P-C4' energy: -106.885 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: 10.498 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: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -614.072365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.072365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.072365 (E_RNA) where: Base-Base interactions energy: -223.959 where: short stacking energy: -167.995 Base-Backbone interact. energy: 2.347 local terms energy: -392.460291 where: bonds (distance) C4'-P energy: -100.786 bonds (distance) P-C4' energy: -122.052 flat angles C4'-P-C4' energy: -110.703 flat angles P-C4'-P energy: -76.622 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: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2113.146482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.146482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.146482 (E_RNA) where: Base-Base interactions energy: -1380.558 where: short stacking energy: -648.868 Base-Backbone interact. energy: -2.605 local terms energy: -729.983606 where: bonds (distance) C4'-P energy: -146.187 bonds (distance) P-C4' energy: -146.168 flat angles C4'-P-C4' energy: -159.667 flat angles P-C4'-P energy: -97.954 tors. eta vs tors. theta energy: -180.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1971.663458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.663458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.663458 (E_RNA) where: Base-Base interactions energy: -1224.423 where: short stacking energy: -608.115 Base-Backbone interact. energy: -2.323 local terms energy: -744.918089 where: bonds (distance) C4'-P energy: -136.305 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -167.566 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -177.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1953.175241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.175241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.175241 (E_RNA) where: Base-Base interactions energy: -1234.009 where: short stacking energy: -591.190 Base-Backbone interact. energy: -1.144 local terms energy: -718.022662 where: bonds (distance) C4'-P energy: -142.558 bonds (distance) P-C4' energy: -148.276 flat angles C4'-P-C4' energy: -162.305 flat angles P-C4'-P energy: -97.005 tors. eta vs tors. theta energy: -167.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1730.544077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.544077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.544077 (E_RNA) where: Base-Base interactions energy: -1118.242 where: short stacking energy: -539.821 Base-Backbone interact. energy: -2.996 local terms energy: -609.305864 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -89.919 tors. eta vs tors. theta energy: -130.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1479.233759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.233759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.233759 (E_RNA) where: Base-Base interactions energy: -888.196 where: short stacking energy: -413.089 Base-Backbone interact. energy: 0.777 local terms energy: -591.814757 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -143.462 flat angles C4'-P-C4' energy: -133.835 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -94.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1426.540654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.540654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.540654 (E_RNA) where: Base-Base interactions energy: -852.813 where: short stacking energy: -378.037 Base-Backbone interact. energy: 1.476 local terms energy: -575.203287 where: bonds (distance) C4'-P energy: -134.598 bonds (distance) P-C4' energy: -117.790 flat angles C4'-P-C4' energy: -146.041 flat angles P-C4'-P energy: -96.974 tors. eta vs tors. theta energy: -79.799 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1138.927522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.927522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.927522 (E_RNA) where: Base-Base interactions energy: -652.939 where: short stacking energy: -322.647 Base-Backbone interact. energy: -4.131 local terms energy: -481.857767 where: bonds (distance) C4'-P energy: -116.247 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -119.594 flat angles P-C4'-P energy: -78.326 tors. eta vs tors. theta energy: -32.034 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: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -879.194422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.194422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.194422 (E_RNA) where: Base-Base interactions energy: -429.803 where: short stacking energy: -246.218 Base-Backbone interact. energy: 2.774 local terms energy: -452.166099 where: bonds (distance) C4'-P energy: -125.841 bonds (distance) P-C4' energy: -125.755 flat angles C4'-P-C4' energy: -123.728 flat angles P-C4'-P energy: -81.508 tors. eta vs tors. theta energy: 4.666 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -687.339943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.339943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.339943 (E_RNA) where: Base-Base interactions energy: -285.718 where: short stacking energy: -166.523 Base-Backbone interact. energy: -0.167 local terms energy: -401.454673 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -127.094 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: 25.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -651.820449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.820449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.820449 (E_RNA) where: Base-Base interactions energy: -271.467 where: short stacking energy: -180.859 Base-Backbone interact. energy: 3.725 local terms energy: -384.078525 where: bonds (distance) C4'-P energy: -118.623 bonds (distance) P-C4' energy: -149.373 flat angles C4'-P-C4' energy: -98.620 flat angles P-C4'-P energy: -38.384 tors. eta vs tors. theta energy: 20.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2158.856785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.856785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.856785 (E_RNA) where: Base-Base interactions energy: -1409.336 where: short stacking energy: -670.932 Base-Backbone interact. energy: 7.202 local terms energy: -756.722527 where: bonds (distance) C4'-P energy: -144.103 bonds (distance) P-C4' energy: -161.955 flat angles C4'-P-C4' energy: -170.811 flat angles P-C4'-P energy: -100.238 tors. eta vs tors. theta energy: -179.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2019.067962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.067962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.067962 (E_RNA) where: Base-Base interactions energy: -1304.199 where: short stacking energy: -612.845 Base-Backbone interact. energy: -0.507 local terms energy: -714.361415 where: bonds (distance) C4'-P energy: -142.142 bonds (distance) P-C4' energy: -139.628 flat angles C4'-P-C4' energy: -152.024 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -174.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1890.657600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.657600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.657600 (E_RNA) where: Base-Base interactions energy: -1159.490 where: short stacking energy: -585.175 Base-Backbone interact. energy: -1.245 local terms energy: -729.922624 where: bonds (distance) C4'-P energy: -162.693 bonds (distance) P-C4' energy: -155.930 flat angles C4'-P-C4' energy: -168.492 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -154.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1787.031682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.031682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.031682 (E_RNA) where: Base-Base interactions energy: -1110.092 where: short stacking energy: -536.471 Base-Backbone interact. energy: -2.009 local terms energy: -674.931012 where: bonds (distance) C4'-P energy: -130.895 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -158.759 flat angles P-C4'-P energy: -94.222 tors. eta vs tors. theta energy: -146.209 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: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1545.715990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.715990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.715990 (E_RNA) where: Base-Base interactions energy: -971.623 where: short stacking energy: -453.718 Base-Backbone interact. energy: 1.577 local terms energy: -575.669442 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -139.908 flat angles C4'-P-C4' energy: -136.712 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -95.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1546.062093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.062093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.062093 (E_RNA) where: Base-Base interactions energy: -943.312 where: short stacking energy: -455.717 Base-Backbone interact. energy: 0.045 local terms energy: -602.795142 where: bonds (distance) C4'-P energy: -121.352 bonds (distance) P-C4' energy: -148.045 flat angles C4'-P-C4' energy: -136.506 flat angles P-C4'-P energy: -89.534 tors. eta vs tors. theta energy: -107.359 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: 29 Temperature: 1.200000 Total energy: -1116.699795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.699795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.699795 (E_RNA) where: Base-Base interactions energy: -634.642 where: short stacking energy: -315.187 Base-Backbone interact. energy: -0.356 local terms energy: -481.701865 where: bonds (distance) C4'-P energy: -119.770 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -121.958 flat angles P-C4'-P energy: -72.222 tors. eta vs tors. theta energy: -32.071 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: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -902.691289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.691289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.691289 (E_RNA) where: Base-Base interactions energy: -417.736 where: short stacking energy: -242.439 Base-Backbone interact. energy: 6.724 local terms energy: -491.678512 where: bonds (distance) C4'-P energy: -122.620 bonds (distance) P-C4' energy: -139.011 flat angles C4'-P-C4' energy: -128.676 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -14.828 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: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -714.393811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.393811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.393811 (E_RNA) where: Base-Base interactions energy: -319.682 where: short stacking energy: -176.560 Base-Backbone interact. energy: -1.322 local terms energy: -393.389871 where: bonds (distance) C4'-P energy: -129.761 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -109.391 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: 17.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -647.400225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.400225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.400225 (E_RNA) where: Base-Base interactions energy: -274.892 where: short stacking energy: -172.069 Base-Backbone interact. energy: -1.032 local terms energy: -371.475873 where: bonds (distance) C4'-P energy: -101.408 bonds (distance) P-C4' energy: -126.861 flat angles C4'-P-C4' energy: -107.867 flat angles P-C4'-P energy: -54.833 tors. eta vs tors. theta energy: 19.494 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: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2182.159816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.159816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.159816 (E_RNA) where: Base-Base interactions energy: -1411.083 where: short stacking energy: -659.953 Base-Backbone interact. energy: -2.286 local terms energy: -768.791162 where: bonds (distance) C4'-P energy: -151.559 bonds (distance) P-C4' energy: -164.866 flat angles C4'-P-C4' energy: -157.405 flat angles P-C4'-P energy: -105.829 tors. eta vs tors. theta energy: -189.133 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2015.388158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.388158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.388158 (E_RNA) where: Base-Base interactions energy: -1262.159 where: short stacking energy: -602.003 Base-Backbone interact. energy: -6.706 local terms energy: -746.522769 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -151.674 flat angles P-C4'-P energy: -115.856 tors. eta vs tors. theta energy: -174.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1898.437696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.437696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.437696 (E_RNA) where: Base-Base interactions energy: -1247.347 where: short stacking energy: -558.434 Base-Backbone interact. energy: -3.746 local terms energy: -647.344651 where: bonds (distance) C4'-P energy: -132.112 bonds (distance) P-C4' energy: -136.259 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -127.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1757.636595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.636595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.636595 (E_RNA) where: Base-Base interactions energy: -1087.980 where: short stacking energy: -547.216 Base-Backbone interact. energy: -0.211 local terms energy: -669.445259 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -139.129 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -83.691 tors. eta vs tors. theta energy: -151.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1550.967764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.967764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.967764 (E_RNA) where: Base-Base interactions energy: -969.608 where: short stacking energy: -464.875 Base-Backbone interact. energy: -2.948 local terms energy: -578.411668 where: bonds (distance) C4'-P energy: -130.653 bonds (distance) P-C4' energy: -126.295 flat angles C4'-P-C4' energy: -134.097 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -101.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1545.393198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.393198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.393198 (E_RNA) where: Base-Base interactions energy: -983.080 where: short stacking energy: -446.788 Base-Backbone interact. energy: 1.390 local terms energy: -563.702625 where: bonds (distance) C4'-P energy: -133.659 bonds (distance) P-C4' energy: -135.581 flat angles C4'-P-C4' energy: -127.487 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -95.907 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: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1074.771679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.771679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.771679 (E_RNA) where: Base-Base interactions energy: -595.314 where: short stacking energy: -335.921 Base-Backbone interact. energy: 3.052 local terms energy: -482.509536 where: bonds (distance) C4'-P energy: -104.570 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -134.010 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -56.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -906.398894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.398894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.398894 (E_RNA) where: Base-Base interactions energy: -456.789 where: short stacking energy: -281.061 Base-Backbone interact. energy: 0.442 local terms energy: -450.052002 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -98.283 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: -15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -774.352317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.352317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.352317 (E_RNA) where: Base-Base interactions energy: -329.080 where: short stacking energy: -218.748 Base-Backbone interact. energy: -2.117 local terms energy: -443.155375 where: bonds (distance) C4'-P energy: -135.521 bonds (distance) P-C4' energy: -114.738 flat angles C4'-P-C4' energy: -126.777 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: 2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -597.543796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.543796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.543796 (E_RNA) where: Base-Base interactions energy: -265.213 where: short stacking energy: -158.499 Base-Backbone interact. energy: 0.146 local terms energy: -332.477140 where: bonds (distance) C4'-P energy: -114.477 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -83.414 flat angles P-C4'-P energy: -51.983 tors. eta vs tors. theta energy: 26.129 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: 31 Temperature: 0.900000 Total energy: -2175.122400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.122400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.122400 (E_RNA) where: Base-Base interactions energy: -1414.946 where: short stacking energy: -648.532 Base-Backbone interact. energy: -2.863 local terms energy: -757.312934 where: bonds (distance) C4'-P energy: -147.933 bonds (distance) P-C4' energy: -162.185 flat angles C4'-P-C4' energy: -160.899 flat angles P-C4'-P energy: -91.993 tors. eta vs tors. theta energy: -194.303 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: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2006.896306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.896306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.896306 (E_RNA) where: Base-Base interactions energy: -1262.631 where: short stacking energy: -588.135 Base-Backbone interact. energy: -2.144 local terms energy: -742.122218 where: bonds (distance) C4'-P energy: -152.592 bonds (distance) P-C4' energy: -157.937 flat angles C4'-P-C4' energy: -157.455 flat angles P-C4'-P energy: -105.675 tors. eta vs tors. theta energy: -168.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1939.431252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.431252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.431252 (E_RNA) where: Base-Base interactions energy: -1247.361 where: short stacking energy: -565.470 Base-Backbone interact. energy: 0.805 local terms energy: -692.874569 where: bonds (distance) C4'-P energy: -145.829 bonds (distance) P-C4' energy: -146.531 flat angles C4'-P-C4' energy: -152.492 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -150.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1778.017525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.017525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.017525 (E_RNA) where: Base-Base interactions energy: -1098.111 where: short stacking energy: -531.817 Base-Backbone interact. energy: -1.305 local terms energy: -678.601763 where: bonds (distance) C4'-P energy: -137.788 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -153.116 flat angles P-C4'-P energy: -88.925 tors. eta vs tors. theta energy: -145.767 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: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1520.711353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.711353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.711353 (E_RNA) where: Base-Base interactions energy: -936.441 where: short stacking energy: -435.454 Base-Backbone interact. energy: -3.252 local terms energy: -581.018535 where: bonds (distance) C4'-P energy: -125.702 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -124.606 flat angles P-C4'-P energy: -89.636 tors. eta vs tors. theta energy: -95.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1458.532088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.532088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.532088 (E_RNA) where: Base-Base interactions energy: -873.339 where: short stacking energy: -386.660 Base-Backbone interact. energy: -4.377 local terms energy: -580.815730 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -137.003 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -86.735 tors. eta vs tors. theta energy: -85.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1068.876938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.876938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.876938 (E_RNA) where: Base-Base interactions energy: -570.325 where: short stacking energy: -297.608 Base-Backbone interact. energy: 0.626 local terms energy: -499.177713 where: bonds (distance) C4'-P energy: -137.697 bonds (distance) P-C4' energy: -123.607 flat angles C4'-P-C4' energy: -131.890 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -35.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -860.375062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.375062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.375062 (E_RNA) where: Base-Base interactions energy: -414.915 where: short stacking energy: -258.396 Base-Backbone interact. energy: 1.037 local terms energy: -446.496162 where: bonds (distance) C4'-P energy: -112.860 bonds (distance) P-C4' energy: -122.693 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -59.291 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -692.992154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.992154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.992154 (E_RNA) where: Base-Base interactions energy: -287.139 where: short stacking energy: -191.152 Base-Backbone interact. energy: -2.596 local terms energy: -403.257314 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -121.004 flat angles C4'-P-C4' energy: -132.394 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: 21.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -669.282604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.282604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.282604 (E_RNA) where: Base-Base interactions energy: -299.015 where: short stacking energy: -186.758 Base-Backbone interact. energy: -0.449 local terms energy: -369.817899 where: bonds (distance) C4'-P energy: -118.694 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -101.118 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: 24.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2205.829643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.829643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.829643 (E_RNA) where: Base-Base interactions energy: -1435.569 where: short stacking energy: -658.454 Base-Backbone interact. energy: -4.881 local terms energy: -765.380211 where: bonds (distance) C4'-P energy: -160.667 bonds (distance) P-C4' energy: -163.971 flat angles C4'-P-C4' energy: -158.610 flat angles P-C4'-P energy: -97.585 tors. eta vs tors. theta energy: -184.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2026.606088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.606088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.606088 (E_RNA) where: Base-Base interactions energy: -1309.552 where: short stacking energy: -595.245 Base-Backbone interact. energy: -2.586 local terms energy: -714.468382 where: bonds (distance) C4'-P energy: -131.228 bonds (distance) P-C4' energy: -147.117 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -173.670 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: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1878.876974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.876974 (E_RNA) where: Base-Base interactions energy: -1211.022 where: short stacking energy: -555.665 Base-Backbone interact. energy: -4.076 local terms energy: -663.778650 where: bonds (distance) C4'-P energy: -135.684 bonds (distance) P-C4' energy: -137.996 flat angles C4'-P-C4' energy: -135.198 flat angles P-C4'-P energy: -107.100 tors. eta vs tors. theta energy: -147.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1738.708783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.708783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.708783 (E_RNA) where: Base-Base interactions energy: -1049.821 where: short stacking energy: -507.358 Base-Backbone interact. energy: 0.162 local terms energy: -689.049677 where: bonds (distance) C4'-P energy: -160.845 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -146.714 flat angles P-C4'-P energy: -99.374 tors. eta vs tors. theta energy: -148.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1584.524392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.524392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.524392 (E_RNA) where: Base-Base interactions energy: -972.671 where: short stacking energy: -466.822 Base-Backbone interact. energy: -2.877 local terms energy: -608.976269 where: bonds (distance) C4'-P energy: -135.340 bonds (distance) P-C4' energy: -141.972 flat angles C4'-P-C4' energy: -145.568 flat angles P-C4'-P energy: -87.107 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: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1426.658606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.658606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.658606 (E_RNA) where: Base-Base interactions energy: -854.525 where: short stacking energy: -389.797 Base-Backbone interact. energy: -0.946 local terms energy: -571.187514 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -147.466 flat angles C4'-P-C4' energy: -145.493 flat angles P-C4'-P energy: -63.360 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1124.397704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.397704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.397704 (E_RNA) where: Base-Base interactions energy: -628.048 where: short stacking energy: -330.406 Base-Backbone interact. energy: -2.474 local terms energy: -493.875082 where: bonds (distance) C4'-P energy: -112.986 bonds (distance) P-C4' energy: -129.412 flat angles C4'-P-C4' energy: -127.586 flat angles P-C4'-P energy: -76.147 tors. eta vs tors. theta energy: -47.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -869.421258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.421258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.421258 (E_RNA) where: Base-Base interactions energy: -409.563 where: short stacking energy: -251.089 Base-Backbone interact. energy: -3.945 local terms energy: -455.912982 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -128.397 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -64.049 tors. eta vs tors. theta energy: -23.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -730.150247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.150247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.150247 (E_RNA) where: Base-Base interactions energy: -328.610 where: short stacking energy: -198.566 Base-Backbone interact. energy: 0.971 local terms energy: -402.510995 where: bonds (distance) C4'-P energy: -122.388 bonds (distance) P-C4' energy: -116.634 flat angles C4'-P-C4' energy: -105.279 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -643.500602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.500602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.500602 (E_RNA) where: Base-Base interactions energy: -274.397 where: short stacking energy: -170.900 Base-Backbone interact. energy: -1.244 local terms energy: -367.859795 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -101.809 flat angles C4'-P-C4' energy: -110.173 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: 19.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2212.528487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.528487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.528487 (E_RNA) where: Base-Base interactions energy: -1450.233 where: short stacking energy: -656.415 Base-Backbone interact. energy: -1.079 local terms energy: -761.216694 where: bonds (distance) C4'-P energy: -144.410 bonds (distance) P-C4' energy: -162.905 flat angles C4'-P-C4' energy: -161.580 flat angles P-C4'-P energy: -110.901 tors. eta vs tors. theta energy: -181.421 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: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2058.282825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.282825 (E_RNA) where: Base-Base interactions energy: -1307.815 where: short stacking energy: -618.526 Base-Backbone interact. energy: -3.790 local terms energy: -746.677574 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -154.097 flat angles C4'-P-C4' energy: -160.184 flat angles P-C4'-P energy: -118.075 tors. eta vs tors. theta energy: -190.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1931.289358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.289358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.289358 (E_RNA) where: Base-Base interactions energy: -1244.256 where: short stacking energy: -577.705 Base-Backbone interact. energy: -2.051 local terms energy: -684.982192 where: bonds (distance) C4'-P energy: -139.006 bonds (distance) P-C4' energy: -140.475 flat angles C4'-P-C4' energy: -160.688 flat angles P-C4'-P energy: -91.279 tors. eta vs tors. theta energy: -153.534 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: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1770.312837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.312837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.312837 (E_RNA) where: Base-Base interactions energy: -1078.274 where: short stacking energy: -558.105 Base-Backbone interact. energy: 2.294 local terms energy: -694.333294 where: bonds (distance) C4'-P energy: -142.014 bonds (distance) P-C4' energy: -134.357 flat angles C4'-P-C4' energy: -145.326 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -171.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1613.893385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.893385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.893385 (E_RNA) where: Base-Base interactions energy: -1011.064 where: short stacking energy: -441.693 Base-Backbone interact. energy: -1.316 local terms energy: -601.513640 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -121.957 flat angles C4'-P-C4' energy: -136.934 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -113.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1416.732703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.732703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.732703 (E_RNA) where: Base-Base interactions energy: -843.473 where: short stacking energy: -405.968 Base-Backbone interact. energy: -0.315 local terms energy: -572.945301 where: bonds (distance) C4'-P energy: -110.277 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -155.603 flat angles P-C4'-P energy: -73.773 tors. eta vs tors. theta energy: -112.301 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: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1172.029159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.029159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.029159 (E_RNA) where: Base-Base interactions energy: -670.272 where: short stacking energy: -330.401 Base-Backbone interact. energy: -1.389 local terms energy: -500.367914 where: bonds (distance) C4'-P energy: -120.209 bonds (distance) P-C4' energy: -128.444 flat angles C4'-P-C4' energy: -130.769 flat angles P-C4'-P energy: -76.533 tors. eta vs tors. theta energy: -44.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -825.688818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.688818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.688818 (E_RNA) where: Base-Base interactions energy: -381.581 where: short stacking energy: -234.060 Base-Backbone interact. energy: -3.518 local terms energy: -440.590068 where: bonds (distance) C4'-P energy: -117.148 bonds (distance) P-C4' energy: -142.234 flat angles C4'-P-C4' energy: -123.137 flat angles P-C4'-P energy: -55.588 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -776.681810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.681810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.681810 (E_RNA) where: Base-Base interactions energy: -347.774 where: short stacking energy: -204.320 Base-Backbone interact. energy: -1.369 local terms energy: -427.539313 where: bonds (distance) C4'-P energy: -101.533 bonds (distance) P-C4' energy: -136.799 flat angles C4'-P-C4' energy: -113.893 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -635.981773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.981773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.981773 (E_RNA) where: Base-Base interactions energy: -273.571 where: short stacking energy: -199.590 Base-Backbone interact. energy: 0.379 local terms energy: -362.790348 where: bonds (distance) C4'-P energy: -120.095 bonds (distance) P-C4' energy: -100.538 flat angles C4'-P-C4' energy: -116.902 flat angles P-C4'-P energy: -53.482 tors. eta vs tors. theta energy: 28.226 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: -2170.064544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.064544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.064544 (E_RNA) where: Base-Base interactions energy: -1404.999 where: short stacking energy: -617.787 Base-Backbone interact. energy: 0.221 local terms energy: -765.286410 where: bonds (distance) C4'-P energy: -157.617 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -163.936 flat angles P-C4'-P energy: -113.086 tors. eta vs tors. theta energy: -180.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2071.735843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.735843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.735843 (E_RNA) where: Base-Base interactions energy: -1336.720 where: short stacking energy: -610.494 Base-Backbone interact. energy: -3.776 local terms energy: -731.240423 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -144.112 flat angles C4'-P-C4' energy: -157.320 flat angles P-C4'-P energy: -95.749 tors. eta vs tors. theta energy: -174.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1984.351540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.351540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.351540 (E_RNA) where: Base-Base interactions energy: -1300.506 where: short stacking energy: -582.574 Base-Backbone interact. energy: -2.292 local terms energy: -681.553878 where: bonds (distance) C4'-P energy: -136.543 bonds (distance) P-C4' energy: -138.194 flat angles C4'-P-C4' energy: -158.320 flat angles P-C4'-P energy: -80.512 tors. eta vs tors. theta energy: -167.984 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: 34 Temperature: 1.050000 Total energy: -1750.128409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.128409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.128409 (E_RNA) where: Base-Base interactions energy: -1071.305 where: short stacking energy: -546.110 Base-Backbone interact. energy: -1.887 local terms energy: -676.936530 where: bonds (distance) C4'-P energy: -133.248 bonds (distance) P-C4' energy: -143.141 flat angles C4'-P-C4' energy: -148.908 flat angles P-C4'-P energy: -107.572 tors. eta vs tors. theta energy: -144.067 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: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1635.093755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.093755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.093755 (E_RNA) where: Base-Base interactions energy: -1021.223 where: short stacking energy: -487.151 Base-Backbone interact. energy: 0.283 local terms energy: -614.153796 where: bonds (distance) C4'-P energy: -121.952 bonds (distance) P-C4' energy: -159.025 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -62.638 tors. eta vs tors. theta energy: -130.246 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: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1388.245706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.245706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.245706 (E_RNA) where: Base-Base interactions energy: -820.809 where: short stacking energy: -385.236 Base-Backbone interact. energy: 1.134 local terms energy: -568.570840 where: bonds (distance) C4'-P energy: -126.007 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -144.039 flat angles P-C4'-P energy: -74.596 tors. eta vs tors. theta energy: -85.095 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: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1222.942627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.942627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.942627 (E_RNA) where: Base-Base interactions energy: -684.748 where: short stacking energy: -335.803 Base-Backbone interact. energy: -0.945 local terms energy: -537.249506 where: bonds (distance) C4'-P energy: -143.447 bonds (distance) P-C4' energy: -118.813 flat angles C4'-P-C4' energy: -147.038 flat angles P-C4'-P energy: -76.709 tors. eta vs tors. theta energy: -51.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -860.219852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.219852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.219852 (E_RNA) where: Base-Base interactions energy: -421.721 where: short stacking energy: -250.312 Base-Backbone interact. energy: 2.622 local terms energy: -441.120795 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -130.400 flat angles C4'-P-C4' energy: -117.242 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -668.133789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.133789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.133789 (E_RNA) where: Base-Base interactions energy: -291.060 where: short stacking energy: -183.015 Base-Backbone interact. energy: 0.941 local terms energy: -378.014931 where: bonds (distance) C4'-P energy: -130.613 bonds (distance) P-C4' energy: -110.052 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -58.102 tors. eta vs tors. theta energy: 23.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -661.716025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.716025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.716025 (E_RNA) where: Base-Base interactions energy: -287.795 where: short stacking energy: -167.346 Base-Backbone interact. energy: 2.973 local terms energy: -376.894456 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -146.321 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -25.558 tors. eta vs tors. theta energy: 19.494 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2202.328482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.328482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.328482 (E_RNA) where: Base-Base interactions energy: -1453.688 where: short stacking energy: -662.020 Base-Backbone interact. energy: -3.355 local terms energy: -745.284625 where: bonds (distance) C4'-P energy: -137.064 bonds (distance) P-C4' energy: -142.023 flat angles C4'-P-C4' energy: -165.569 flat angles P-C4'-P energy: -109.698 tors. eta vs tors. theta energy: -190.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2100.717973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.717973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.717973 (E_RNA) where: Base-Base interactions energy: -1343.835 where: short stacking energy: -633.352 Base-Backbone interact. energy: -1.669 local terms energy: -755.214122 where: bonds (distance) C4'-P energy: -147.808 bonds (distance) P-C4' energy: -142.509 flat angles C4'-P-C4' energy: -167.922 flat angles P-C4'-P energy: -120.971 tors. eta vs tors. theta energy: -176.004 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: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1960.538001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.538001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.538001 (E_RNA) where: Base-Base interactions energy: -1271.056 where: short stacking energy: -578.761 Base-Backbone interact. energy: -1.419 local terms energy: -688.063554 where: bonds (distance) C4'-P energy: -134.339 bonds (distance) P-C4' energy: -158.058 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -106.874 tors. eta vs tors. theta energy: -140.777 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: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1753.164687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.164687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.164687 (E_RNA) where: Base-Base interactions energy: -1107.444 where: short stacking energy: -534.154 Base-Backbone interact. energy: -1.012 local terms energy: -644.708448 where: bonds (distance) C4'-P energy: -129.605 bonds (distance) P-C4' energy: -130.526 flat angles C4'-P-C4' energy: -148.064 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -147.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1643.026133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.026133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.026133 (E_RNA) where: Base-Base interactions energy: -1040.015 where: short stacking energy: -479.617 Base-Backbone interact. energy: 0.626 local terms energy: -603.636863 where: bonds (distance) C4'-P energy: -138.550 bonds (distance) P-C4' energy: -139.451 flat angles C4'-P-C4' energy: -134.547 flat angles P-C4'-P energy: -76.728 tors. eta vs tors. theta energy: -114.361 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1362.006125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.006125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.006125 (E_RNA) where: Base-Base interactions energy: -813.573 where: short stacking energy: -393.399 Base-Backbone interact. energy: 2.103 local terms energy: -550.536075 where: bonds (distance) C4'-P energy: -130.434 bonds (distance) P-C4' energy: -131.546 flat angles C4'-P-C4' energy: -132.272 flat angles P-C4'-P energy: -82.718 tors. eta vs tors. theta energy: -73.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1204.243723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.243723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.243723 (E_RNA) where: Base-Base interactions energy: -693.884 where: short stacking energy: -343.507 Base-Backbone interact. energy: 0.918 local terms energy: -511.277354 where: bonds (distance) C4'-P energy: -125.460 bonds (distance) P-C4' energy: -117.193 flat angles C4'-P-C4' energy: -129.954 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -57.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -908.769107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.769107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.769107 (E_RNA) where: Base-Base interactions energy: -443.711 where: short stacking energy: -245.010 Base-Backbone interact. energy: -1.970 local terms energy: -463.088264 where: bonds (distance) C4'-P energy: -124.129 bonds (distance) P-C4' energy: -136.388 flat angles C4'-P-C4' energy: -111.830 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -14.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -744.537898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.537898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.537898 (E_RNA) where: Base-Base interactions energy: -315.886 where: short stacking energy: -198.615 Base-Backbone interact. energy: 3.494 local terms energy: -432.146077 where: bonds (distance) C4'-P energy: -125.721 bonds (distance) P-C4' energy: -140.302 flat angles C4'-P-C4' energy: -125.648 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: 11.157 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: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -591.557361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.557361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.557361 (E_RNA) where: Base-Base interactions energy: -222.985 where: short stacking energy: -153.192 Base-Backbone interact. energy: -2.264 local terms energy: -366.308773 where: bonds (distance) C4'-P energy: -125.588 bonds (distance) P-C4' energy: -113.753 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -77.266 tors. eta vs tors. theta energy: 33.512 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: 36 Temperature: 0.900000 Total energy: -2219.832812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.832812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.832812 (E_RNA) where: Base-Base interactions energy: -1452.874 where: short stacking energy: -665.695 Base-Backbone interact. energy: -1.476 local terms energy: -765.482877 where: bonds (distance) C4'-P energy: -158.105 bonds (distance) P-C4' energy: -158.164 flat angles C4'-P-C4' energy: -160.240 flat angles P-C4'-P energy: -103.138 tors. eta vs tors. theta energy: -185.835 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: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2087.264856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.264856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.264856 (E_RNA) where: Base-Base interactions energy: -1343.590 where: short stacking energy: -617.361 Base-Backbone interact. energy: -1.907 local terms energy: -741.767956 where: bonds (distance) C4'-P energy: -144.406 bonds (distance) P-C4' energy: -156.298 flat angles C4'-P-C4' energy: -157.480 flat angles P-C4'-P energy: -104.998 tors. eta vs tors. theta energy: -178.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2000.561600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.561600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.561600 (E_RNA) where: Base-Base interactions energy: -1317.332 where: short stacking energy: -574.305 Base-Backbone interact. energy: 2.469 local terms energy: -685.699066 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -151.146 flat angles P-C4'-P energy: -104.318 tors. eta vs tors. theta energy: -152.628 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: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1785.900008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.900008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.900008 (E_RNA) where: Base-Base interactions energy: -1081.107 where: short stacking energy: -543.092 Base-Backbone interact. energy: 0.955 local terms energy: -705.747338 where: bonds (distance) C4'-P energy: -143.303 bonds (distance) P-C4' energy: -149.884 flat angles C4'-P-C4' energy: -156.323 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -152.280 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: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1718.716393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.716393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.716393 (E_RNA) where: Base-Base interactions energy: -1063.152 where: short stacking energy: -498.297 Base-Backbone interact. energy: 0.884 local terms energy: -656.448115 where: bonds (distance) C4'-P energy: -133.540 bonds (distance) P-C4' energy: -142.547 flat angles C4'-P-C4' energy: -152.465 flat angles P-C4'-P energy: -94.523 tors. eta vs tors. theta energy: -133.373 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: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1287.224434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.224434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.224434 (E_RNA) where: Base-Base interactions energy: -751.564 where: short stacking energy: -358.569 Base-Backbone interact. energy: -3.737 local terms energy: -531.923130 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -126.967 flat angles C4'-P-C4' energy: -134.041 flat angles P-C4'-P energy: -79.939 tors. eta vs tors. theta energy: -68.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1233.261020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.261020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.261020 (E_RNA) where: Base-Base interactions energy: -667.012 where: short stacking energy: -357.596 Base-Backbone interact. energy: -2.902 local terms energy: -563.346843 where: bonds (distance) C4'-P energy: -141.695 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -79.373 tors. eta vs tors. theta energy: -69.488 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: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -910.518301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.518301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.518301 (E_RNA) where: Base-Base interactions energy: -465.005 where: short stacking energy: -221.486 Base-Backbone interact. energy: -1.780 local terms energy: -443.732979 where: bonds (distance) C4'-P energy: -130.589 bonds (distance) P-C4' energy: -144.096 flat angles C4'-P-C4' energy: -112.706 flat angles P-C4'-P energy: -55.340 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -742.149988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.149988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.149988 (E_RNA) where: Base-Base interactions energy: -344.249 where: short stacking energy: -221.146 Base-Backbone interact. energy: 0.462 local terms energy: -398.363261 where: bonds (distance) C4'-P energy: -109.162 bonds (distance) P-C4' energy: -122.250 flat angles C4'-P-C4' energy: -115.832 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: 8.167 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: 36 Temperature: 1.350000 Total energy: -599.153706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.153706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.153706 (E_RNA) where: Base-Base interactions energy: -216.305 where: short stacking energy: -128.048 Base-Backbone interact. energy: -0.346 local terms energy: -382.502577 where: bonds (distance) C4'-P energy: -126.411 bonds (distance) P-C4' energy: -128.687 flat angles C4'-P-C4' energy: -116.725 flat angles P-C4'-P energy: -67.215 tors. eta vs tors. theta energy: 56.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2247.352626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.352626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.352626 (E_RNA) where: Base-Base interactions energy: -1445.705 where: short stacking energy: -662.190 Base-Backbone interact. energy: -5.286 local terms energy: -796.361680 where: bonds (distance) C4'-P energy: -156.391 bonds (distance) P-C4' energy: -152.745 flat angles C4'-P-C4' energy: -178.987 flat angles P-C4'-P energy: -116.776 tors. eta vs tors. theta energy: -191.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2084.448470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.448470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.448470 (E_RNA) where: Base-Base interactions energy: -1377.213 where: short stacking energy: -617.330 Base-Backbone interact. energy: -2.055 local terms energy: -705.180301 where: bonds (distance) C4'-P energy: -140.043 bonds (distance) P-C4' energy: -156.319 flat angles C4'-P-C4' energy: -154.689 flat angles P-C4'-P energy: -96.961 tors. eta vs tors. theta energy: -157.168 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: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2069.383210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.383210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.383210 (E_RNA) where: Base-Base interactions energy: -1366.515 where: short stacking energy: -616.692 Base-Backbone interact. energy: -2.107 local terms energy: -700.760436 where: bonds (distance) C4'-P energy: -145.758 bonds (distance) P-C4' energy: -126.113 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -112.622 tors. eta vs tors. theta energy: -175.561 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: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1783.331028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.331028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.331028 (E_RNA) where: Base-Base interactions energy: -1125.263 where: short stacking energy: -532.510 Base-Backbone interact. energy: -1.504 local terms energy: -656.563918 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -142.950 flat angles C4'-P-C4' energy: -155.629 flat angles P-C4'-P energy: -78.986 tors. eta vs tors. theta energy: -151.855 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: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1758.919117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.919117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.919117 (E_RNA) where: Base-Base interactions energy: -1122.253 where: short stacking energy: -536.544 Base-Backbone interact. energy: -0.577 local terms energy: -636.088875 where: bonds (distance) C4'-P energy: -126.452 bonds (distance) P-C4' energy: -140.552 flat angles C4'-P-C4' energy: -143.243 flat angles P-C4'-P energy: -94.032 tors. eta vs tors. theta energy: -131.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1363.948751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.948751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.948751 (E_RNA) where: Base-Base interactions energy: -787.732 where: short stacking energy: -406.044 Base-Backbone interact. energy: -0.239 local terms energy: -575.977660 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -125.275 flat angles P-C4'-P energy: -88.300 tors. eta vs tors. theta energy: -83.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1247.618539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.618539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.618539 (E_RNA) where: Base-Base interactions energy: -707.511 where: short stacking energy: -354.823 Base-Backbone interact. energy: 4.489 local terms energy: -544.596475 where: bonds (distance) C4'-P energy: -130.106 bonds (distance) P-C4' energy: -118.326 flat angles C4'-P-C4' energy: -138.524 flat angles P-C4'-P energy: -96.699 tors. eta vs tors. theta energy: -60.942 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: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -833.021474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.021474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.021474 (E_RNA) where: Base-Base interactions energy: -411.416 where: short stacking energy: -231.948 Base-Backbone interact. energy: 0.403 local terms energy: -422.009331 where: bonds (distance) C4'-P energy: -124.727 bonds (distance) P-C4' energy: -137.876 flat angles C4'-P-C4' energy: -93.758 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: 7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -753.452299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.452299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.452299 (E_RNA) where: Base-Base interactions energy: -335.827 where: short stacking energy: -209.644 Base-Backbone interact. energy: 3.173 local terms energy: -420.798042 where: bonds (distance) C4'-P energy: -129.635 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -96.704 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: 10.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -623.202632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.202632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.202632 (E_RNA) where: Base-Base interactions energy: -226.642 where: short stacking energy: -173.553 Base-Backbone interact. energy: 2.750 local terms energy: -399.310482 where: bonds (distance) C4'-P energy: -120.849 bonds (distance) P-C4' energy: -123.954 flat angles C4'-P-C4' energy: -110.341 flat angles P-C4'-P energy: -64.888 tors. eta vs tors. theta energy: 20.722 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: 38 Temperature: 0.900000 Total energy: -2236.729693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.729693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.729693 (E_RNA) where: Base-Base interactions energy: -1459.510 where: short stacking energy: -671.884 Base-Backbone interact. energy: 0.300 local terms energy: -777.519815 where: bonds (distance) C4'-P energy: -139.059 bonds (distance) P-C4' energy: -155.274 flat angles C4'-P-C4' energy: -166.289 flat angles P-C4'-P energy: -115.464 tors. eta vs tors. theta energy: -201.434 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: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2138.176488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.176488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.176488 (E_RNA) where: Base-Base interactions energy: -1384.959 where: short stacking energy: -612.914 Base-Backbone interact. energy: -2.265 local terms energy: -750.952579 where: bonds (distance) C4'-P energy: -154.632 bonds (distance) P-C4' energy: -148.300 flat angles C4'-P-C4' energy: -158.797 flat angles P-C4'-P energy: -109.592 tors. eta vs tors. theta energy: -179.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2067.301124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.301124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.301124 (E_RNA) where: Base-Base interactions energy: -1338.942 where: short stacking energy: -622.763 Base-Backbone interact. energy: -1.720 local terms energy: -726.639021 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -133.087 flat angles C4'-P-C4' energy: -156.268 flat angles P-C4'-P energy: -112.600 tors. eta vs tors. theta energy: -180.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1815.149817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.149817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.149817 (E_RNA) where: Base-Base interactions energy: -1128.766 where: short stacking energy: -561.259 Base-Backbone interact. energy: -1.256 local terms energy: -685.128157 where: bonds (distance) C4'-P energy: -145.366 bonds (distance) P-C4' energy: -140.066 flat angles C4'-P-C4' energy: -147.702 flat angles P-C4'-P energy: -99.185 tors. eta vs tors. theta energy: -152.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1772.810528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.810528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.810528 (E_RNA) where: Base-Base interactions energy: -1107.506 where: short stacking energy: -489.545 Base-Backbone interact. energy: -3.179 local terms energy: -662.125604 where: bonds (distance) C4'-P energy: -143.161 bonds (distance) P-C4' energy: -146.266 flat angles C4'-P-C4' energy: -147.042 flat angles P-C4'-P energy: -95.330 tors. eta vs tors. theta energy: -130.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1326.576025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.576025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.576025 (E_RNA) where: Base-Base interactions energy: -780.091 where: short stacking energy: -353.069 Base-Backbone interact. energy: 2.125 local terms energy: -548.610034 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -125.791 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -62.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1290.692545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.692545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.692545 (E_RNA) where: Base-Base interactions energy: -725.866 where: short stacking energy: -361.761 Base-Backbone interact. energy: -0.606 local terms energy: -564.221073 where: bonds (distance) C4'-P energy: -122.531 bonds (distance) P-C4' energy: -165.229 flat angles C4'-P-C4' energy: -129.169 flat angles P-C4'-P energy: -78.530 tors. eta vs tors. theta energy: -68.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -805.341337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.341337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.341337 (E_RNA) where: Base-Base interactions energy: -435.349 where: short stacking energy: -247.573 Base-Backbone interact. energy: -1.019 local terms energy: -368.973359 where: bonds (distance) C4'-P energy: -109.246 bonds (distance) P-C4' energy: -104.987 flat angles C4'-P-C4' energy: -105.673 flat angles P-C4'-P energy: -57.854 tors. eta vs tors. theta energy: 8.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -671.627918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.627918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.627918 (E_RNA) where: Base-Base interactions energy: -244.431 where: short stacking energy: -185.251 Base-Backbone interact. energy: -2.430 local terms energy: -424.766852 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -123.608 flat angles C4'-P-C4' energy: -105.683 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: 6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -630.824383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.824383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.824383 (E_RNA) where: Base-Base interactions energy: -261.228 where: short stacking energy: -164.099 Base-Backbone interact. energy: -0.635 local terms energy: -368.962278 where: bonds (distance) C4'-P energy: -119.426 bonds (distance) P-C4' energy: -115.766 flat angles C4'-P-C4' energy: -93.621 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: 30.057 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: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2235.160946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.160946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.160946 (E_RNA) where: Base-Base interactions energy: -1450.561 where: short stacking energy: -652.449 Base-Backbone interact. energy: -2.541 local terms energy: -782.058884 where: bonds (distance) C4'-P energy: -152.172 bonds (distance) P-C4' energy: -165.423 flat angles C4'-P-C4' energy: -162.932 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -190.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2107.565574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.565574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.565574 (E_RNA) where: Base-Base interactions energy: -1362.451 where: short stacking energy: -606.880 Base-Backbone interact. energy: -2.263 local terms energy: -742.851520 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -154.500 flat angles C4'-P-C4' energy: -144.078 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -189.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2124.643947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.643947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.643947 (E_RNA) where: Base-Base interactions energy: -1396.685 where: short stacking energy: -603.452 Base-Backbone interact. energy: -0.166 local terms energy: -727.792854 where: bonds (distance) C4'-P energy: -140.653 bonds (distance) P-C4' energy: -153.221 flat angles C4'-P-C4' energy: -165.083 flat angles P-C4'-P energy: -104.941 tors. eta vs tors. theta energy: -163.895 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: 39 Temperature: 1.050000 Total energy: -1829.331693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.331693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.331693 (E_RNA) where: Base-Base interactions energy: -1139.202 where: short stacking energy: -571.383 Base-Backbone interact. energy: -1.705 local terms energy: -688.425027 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -148.830 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -169.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1811.063460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.063460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.063460 (E_RNA) where: Base-Base interactions energy: -1189.222 where: short stacking energy: -528.118 Base-Backbone interact. energy: -2.446 local terms energy: -619.394993 where: bonds (distance) C4'-P energy: -139.577 bonds (distance) P-C4' energy: -127.547 flat angles C4'-P-C4' energy: -138.456 flat angles P-C4'-P energy: -89.052 tors. eta vs tors. theta energy: -124.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1339.322061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.322061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.322061 (E_RNA) where: Base-Base interactions energy: -767.744 where: short stacking energy: -365.908 Base-Backbone interact. energy: 1.251 local terms energy: -572.829126 where: bonds (distance) C4'-P energy: -139.743 bonds (distance) P-C4' energy: -129.345 flat angles C4'-P-C4' energy: -149.013 flat angles P-C4'-P energy: -77.528 tors. eta vs tors. theta energy: -77.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1342.615923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.615923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.615923 (E_RNA) where: Base-Base interactions energy: -823.688 where: short stacking energy: -380.573 Base-Backbone interact. energy: 6.332 local terms energy: -525.260576 where: bonds (distance) C4'-P energy: -117.612 bonds (distance) P-C4' energy: -150.528 flat angles C4'-P-C4' energy: -127.102 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -74.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -848.734174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.734174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.734174 (E_RNA) where: Base-Base interactions energy: -397.622 where: short stacking energy: -222.125 Base-Backbone interact. energy: -2.403 local terms energy: -448.709511 where: bonds (distance) C4'-P energy: -109.673 bonds (distance) P-C4' energy: -142.271 flat angles C4'-P-C4' energy: -115.550 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: 1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -721.222124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.222124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.222124 (E_RNA) where: Base-Base interactions energy: -346.456 where: short stacking energy: -193.978 Base-Backbone interact. energy: -2.579 local terms energy: -372.187012 where: bonds (distance) C4'-P energy: -116.371 bonds (distance) P-C4' energy: -138.350 flat angles C4'-P-C4' energy: -80.719 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: 19.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -580.273122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.273122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.273122 (E_RNA) where: Base-Base interactions energy: -243.810 where: short stacking energy: -168.366 Base-Backbone interact. energy: 7.902 local terms energy: -344.365435 where: bonds (distance) C4'-P energy: -113.848 bonds (distance) P-C4' energy: -122.020 flat angles C4'-P-C4' energy: -81.782 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: 23.878 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: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2237.757749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.757749 (E_RNA) where: Base-Base interactions energy: -1463.073 where: short stacking energy: -674.278 Base-Backbone interact. energy: -3.987 local terms energy: -770.697307 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -172.538 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -191.440 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: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2125.278407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.278407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.278407 (E_RNA) where: Base-Base interactions energy: -1383.961 where: short stacking energy: -637.073 Base-Backbone interact. energy: -0.790 local terms energy: -740.527907 where: bonds (distance) C4'-P energy: -140.251 bonds (distance) P-C4' energy: -134.497 flat angles C4'-P-C4' energy: -171.465 flat angles P-C4'-P energy: -110.646 tors. eta vs tors. theta energy: -183.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2138.987471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.987471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.987471 (E_RNA) where: Base-Base interactions energy: -1433.066 where: short stacking energy: -647.233 Base-Backbone interact. energy: -5.247 local terms energy: -700.675103 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -155.685 flat angles P-C4'-P energy: -92.994 tors. eta vs tors. theta energy: -169.573 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: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1833.646230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.646230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.646230 (E_RNA) where: Base-Base interactions energy: -1147.115 where: short stacking energy: -550.761 Base-Backbone interact. energy: -2.832 local terms energy: -683.699153 where: bonds (distance) C4'-P energy: -146.381 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -153.375 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -150.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1845.347165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.347165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.347165 (E_RNA) where: Base-Base interactions energy: -1206.030 where: short stacking energy: -532.808 Base-Backbone interact. energy: -1.574 local terms energy: -637.743520 where: bonds (distance) C4'-P energy: -126.607 bonds (distance) P-C4' energy: -149.231 flat angles C4'-P-C4' energy: -151.045 flat angles P-C4'-P energy: -74.395 tors. eta vs tors. theta energy: -136.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1251.340639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.340639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.340639 (E_RNA) where: Base-Base interactions energy: -725.988 where: short stacking energy: -397.588 Base-Backbone interact. energy: 2.464 local terms energy: -527.816404 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -123.784 flat angles C4'-P-C4' energy: -140.777 flat angles P-C4'-P energy: -74.668 tors. eta vs tors. theta energy: -62.230 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: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1353.464537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.464537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.464537 (E_RNA) where: Base-Base interactions energy: -820.063 where: short stacking energy: -370.216 Base-Backbone interact. energy: -3.059 local terms energy: -530.342313 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -127.062 flat angles C4'-P-C4' energy: -134.933 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -59.714 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: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -853.336033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.336033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.336033 (E_RNA) where: Base-Base interactions energy: -406.402 where: short stacking energy: -207.544 Base-Backbone interact. energy: -3.370 local terms energy: -443.563314 where: bonds (distance) C4'-P energy: -114.551 bonds (distance) P-C4' energy: -140.536 flat angles C4'-P-C4' energy: -124.175 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -759.167328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.167328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.167328 (E_RNA) where: Base-Base interactions energy: -319.782 where: short stacking energy: -217.885 Base-Backbone interact. energy: -3.800 local terms energy: -435.584959 where: bonds (distance) C4'-P energy: -116.081 bonds (distance) P-C4' energy: -127.709 flat angles C4'-P-C4' energy: -116.966 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -20.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -603.294432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.294432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.294432 (E_RNA) where: Base-Base interactions energy: -217.227 where: short stacking energy: -174.836 Base-Backbone interact. energy: 0.141 local terms energy: -386.207582 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: 16.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2218.004040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.004040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.004040 (E_RNA) where: Base-Base interactions energy: -1452.000 where: short stacking energy: -667.220 Base-Backbone interact. energy: -1.050 local terms energy: -764.954004 where: bonds (distance) C4'-P energy: -151.860 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -170.588 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -187.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2183.244616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.244616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.244616 (E_RNA) where: Base-Base interactions energy: -1459.038 where: short stacking energy: -643.223 Base-Backbone interact. energy: -4.896 local terms energy: -719.310672 where: bonds (distance) C4'-P energy: -142.584 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -160.390 flat angles P-C4'-P energy: -100.721 tors. eta vs tors. theta energy: -173.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2080.893197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.893197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.893197 (E_RNA) where: Base-Base interactions energy: -1363.133 where: short stacking energy: -610.154 Base-Backbone interact. energy: -3.518 local terms energy: -714.242575 where: bonds (distance) C4'-P energy: -146.277 bonds (distance) P-C4' energy: -143.210 flat angles C4'-P-C4' energy: -141.208 flat angles P-C4'-P energy: -98.088 tors. eta vs tors. theta energy: -185.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1906.327350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.327350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.327350 (E_RNA) where: Base-Base interactions energy: -1244.268 where: short stacking energy: -580.972 Base-Backbone interact. energy: -1.915 local terms energy: -660.143994 where: bonds (distance) C4'-P energy: -126.164 bonds (distance) P-C4' energy: -126.754 flat angles C4'-P-C4' energy: -158.777 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -159.709 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: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1771.173840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.173840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.173840 (E_RNA) where: Base-Base interactions energy: -1111.739 where: short stacking energy: -535.925 Base-Backbone interact. energy: -3.256 local terms energy: -656.178907 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -153.424 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -82.484 tors. eta vs tors. theta energy: -140.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1510.021843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.021843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.021843 (E_RNA) where: Base-Base interactions energy: -905.518 where: short stacking energy: -437.287 Base-Backbone interact. energy: -0.188 local terms energy: -604.315943 where: bonds (distance) C4'-P energy: -133.530 bonds (distance) P-C4' energy: -145.176 flat angles C4'-P-C4' energy: -126.479 flat angles P-C4'-P energy: -81.781 tors. eta vs tors. theta energy: -117.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1164.856884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.856884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.856884 (E_RNA) where: Base-Base interactions energy: -664.434 where: short stacking energy: -322.053 Base-Backbone interact. energy: 0.531 local terms energy: -500.953988 where: bonds (distance) C4'-P energy: -131.288 bonds (distance) P-C4' energy: -129.833 flat angles C4'-P-C4' energy: -128.226 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -35.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -901.397436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.397436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.397436 (E_RNA) where: Base-Base interactions energy: -453.970 where: short stacking energy: -273.665 Base-Backbone interact. energy: 4.328 local terms energy: -451.755505 where: bonds (distance) C4'-P energy: -118.057 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -110.748 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -13.175 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: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -754.998905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.998905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.998905 (E_RNA) where: Base-Base interactions energy: -333.706 where: short stacking energy: -197.879 Base-Backbone interact. energy: 0.820 local terms energy: -422.112338 where: bonds (distance) C4'-P energy: -129.038 bonds (distance) P-C4' energy: -130.408 flat angles C4'-P-C4' energy: -104.047 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: 16.794 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: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -574.372760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.372760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.372760 (E_RNA) where: Base-Base interactions energy: -194.580 where: short stacking energy: -133.880 Base-Backbone interact. energy: 1.954 local terms energy: -381.746845 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -93.246 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: 12.218 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: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2254.150396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.150396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.150396 (E_RNA) where: Base-Base interactions energy: -1468.539 where: short stacking energy: -684.832 Base-Backbone interact. energy: 0.061 local terms energy: -785.671901 where: bonds (distance) C4'-P energy: -144.338 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -175.541 flat angles P-C4'-P energy: -109.617 tors. eta vs tors. theta energy: -199.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2244.296775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.296775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.296775 (E_RNA) where: Base-Base interactions energy: -1526.961 where: short stacking energy: -680.154 Base-Backbone interact. energy: 1.190 local terms energy: -718.525620 where: bonds (distance) C4'-P energy: -143.074 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -157.006 flat angles P-C4'-P energy: -91.387 tors. eta vs tors. theta energy: -190.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2078.283756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.283756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.283756 (E_RNA) where: Base-Base interactions energy: -1355.536 where: short stacking energy: -618.611 Base-Backbone interact. energy: -2.125 local terms energy: -720.622736 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -142.021 flat angles C4'-P-C4' energy: -163.843 flat angles P-C4'-P energy: -104.770 tors. eta vs tors. theta energy: -185.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1945.518645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.518645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.518645 (E_RNA) where: Base-Base interactions energy: -1294.160 where: short stacking energy: -551.913 Base-Backbone interact. energy: -1.081 local terms energy: -650.277093 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -138.658 flat angles C4'-P-C4' energy: -136.141 flat angles P-C4'-P energy: -90.456 tors. eta vs tors. theta energy: -142.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1722.700889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.700889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.700889 (E_RNA) where: Base-Base interactions energy: -1058.575 where: short stacking energy: -501.353 Base-Backbone interact. energy: 0.695 local terms energy: -664.821626 where: bonds (distance) C4'-P energy: -136.570 bonds (distance) P-C4' energy: -144.977 flat angles C4'-P-C4' energy: -145.003 flat angles P-C4'-P energy: -102.757 tors. eta vs tors. theta energy: -135.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1491.577475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.577475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.577475 (E_RNA) where: Base-Base interactions energy: -872.167 where: short stacking energy: -451.135 Base-Backbone interact. energy: -4.256 local terms energy: -615.155016 where: bonds (distance) C4'-P energy: -136.794 bonds (distance) P-C4' energy: -153.454 flat angles C4'-P-C4' energy: -142.967 flat angles P-C4'-P energy: -82.565 tors. eta vs tors. theta energy: -99.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1220.565098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.565098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.565098 (E_RNA) where: Base-Base interactions energy: -700.842 where: short stacking energy: -341.315 Base-Backbone interact. energy: 2.295 local terms energy: -522.017896 where: bonds (distance) C4'-P energy: -128.238 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -122.589 flat angles P-C4'-P energy: -78.735 tors. eta vs tors. theta energy: -61.462 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: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -883.810784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.810784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.810784 (E_RNA) where: Base-Base interactions energy: -416.044 where: short stacking energy: -269.134 Base-Backbone interact. energy: 4.039 local terms energy: -471.806077 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -132.381 flat angles P-C4'-P energy: -73.333 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -798.174491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.174491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.174491 (E_RNA) where: Base-Base interactions energy: -363.936 where: short stacking energy: -240.104 Base-Backbone interact. energy: 4.224 local terms energy: -438.463013 where: bonds (distance) C4'-P energy: -131.405 bonds (distance) P-C4' energy: -147.196 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -60.179 tors. eta vs tors. theta energy: -23.304 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: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -586.852721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.852721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.852721 (E_RNA) where: Base-Base interactions energy: -240.992 where: short stacking energy: -165.984 Base-Backbone interact. energy: -2.504 local terms energy: -343.356291 where: bonds (distance) C4'-P energy: -109.786 bonds (distance) P-C4' energy: -107.004 flat angles C4'-P-C4' energy: -111.140 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: 29.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2288.603161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.603161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.603161 (E_RNA) where: Base-Base interactions energy: -1517.326 where: short stacking energy: -696.091 Base-Backbone interact. energy: -3.117 local terms energy: -768.159865 where: bonds (distance) C4'-P energy: -138.566 bonds (distance) P-C4' energy: -154.158 flat angles C4'-P-C4' energy: -175.576 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -194.935 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: 43 Temperature: 0.950000 Total energy: -2234.216497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.216497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.216497 (E_RNA) where: Base-Base interactions energy: -1484.509 where: short stacking energy: -648.978 Base-Backbone interact. energy: -1.349 local terms energy: -748.358363 where: bonds (distance) C4'-P energy: -146.610 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -105.922 tors. eta vs tors. theta energy: -182.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2020.776311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.776311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.776311 (E_RNA) where: Base-Base interactions energy: -1346.673 where: short stacking energy: -610.424 Base-Backbone interact. energy: -0.861 local terms energy: -673.242413 where: bonds (distance) C4'-P energy: -128.254 bonds (distance) P-C4' energy: -131.130 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -86.687 tors. eta vs tors. theta energy: -175.583 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: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2004.952685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.952685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.952685 (E_RNA) where: Base-Base interactions energy: -1314.840 where: short stacking energy: -587.160 Base-Backbone interact. energy: -0.699 local terms energy: -689.414174 where: bonds (distance) C4'-P energy: -127.792 bonds (distance) P-C4' energy: -154.397 flat angles C4'-P-C4' energy: -147.774 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -164.103 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: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1741.283435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.283435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.283435 (E_RNA) where: Base-Base interactions energy: -1122.891 where: short stacking energy: -490.649 Base-Backbone interact. energy: -0.610 local terms energy: -617.782520 where: bonds (distance) C4'-P energy: -135.454 bonds (distance) P-C4' energy: -139.588 flat angles C4'-P-C4' energy: -149.379 flat angles P-C4'-P energy: -76.434 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1511.128094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.128094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.128094 (E_RNA) where: Base-Base interactions energy: -925.707 where: short stacking energy: -427.060 Base-Backbone interact. energy: 1.411 local terms energy: -586.832096 where: bonds (distance) C4'-P energy: -132.459 bonds (distance) P-C4' energy: -152.864 flat angles C4'-P-C4' energy: -128.498 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: -87.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1220.768887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.768887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.768887 (E_RNA) where: Base-Base interactions energy: -696.821 where: short stacking energy: -340.994 Base-Backbone interact. energy: -1.332 local terms energy: -522.616133 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -137.395 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -55.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -858.809175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.809175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.809175 (E_RNA) where: Base-Base interactions energy: -427.831 where: short stacking energy: -244.210 Base-Backbone interact. energy: -2.157 local terms energy: -428.821785 where: bonds (distance) C4'-P energy: -123.588 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -121.193 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: 10.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -784.881861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.881861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.881861 (E_RNA) where: Base-Base interactions energy: -354.339 where: short stacking energy: -226.851 Base-Backbone interact. energy: -2.361 local terms energy: -428.181520 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -126.436 flat angles C4'-P-C4' energy: -124.614 flat angles P-C4'-P energy: -70.086 tors. eta vs tors. theta energy: 11.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -578.748153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.748153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.748153 (E_RNA) where: Base-Base interactions energy: -200.241 where: short stacking energy: -172.770 Base-Backbone interact. energy: 1.290 local terms energy: -379.797014 where: bonds (distance) C4'-P energy: -119.723 bonds (distance) P-C4' energy: -135.647 flat angles C4'-P-C4' energy: -96.376 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: 14.741 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2264.109510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.109510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.109510 (E_RNA) where: Base-Base interactions energy: -1491.844 where: short stacking energy: -704.801 Base-Backbone interact. energy: -0.930 local terms energy: -771.335520 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -146.248 flat angles C4'-P-C4' energy: -172.483 flat angles P-C4'-P energy: -107.129 tors. eta vs tors. theta energy: -202.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2216.698694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.698694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.698694 (E_RNA) where: Base-Base interactions energy: -1472.871 where: short stacking energy: -649.409 Base-Backbone interact. energy: -4.156 local terms energy: -739.672347 where: bonds (distance) C4'-P energy: -142.017 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -152.531 flat angles P-C4'-P energy: -110.718 tors. eta vs tors. theta energy: -185.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2062.230449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.230449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.230449 (E_RNA) where: Base-Base interactions energy: -1342.473 where: short stacking energy: -581.542 Base-Backbone interact. energy: -2.714 local terms energy: -717.042938 where: bonds (distance) C4'-P energy: -144.385 bonds (distance) P-C4' energy: -134.077 flat angles C4'-P-C4' energy: -166.811 flat angles P-C4'-P energy: -96.104 tors. eta vs tors. theta energy: -175.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1978.282243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.282243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.282243 (E_RNA) where: Base-Base interactions energy: -1275.890 where: short stacking energy: -556.792 Base-Backbone interact. energy: -2.322 local terms energy: -700.069973 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -143.698 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -94.790 tors. eta vs tors. theta energy: -159.282 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: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1764.668345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.668345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.668345 (E_RNA) where: Base-Base interactions energy: -1092.399 where: short stacking energy: -533.892 Base-Backbone interact. energy: 2.471 local terms energy: -674.740895 where: bonds (distance) C4'-P energy: -148.794 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -151.768 flat angles P-C4'-P energy: -90.909 tors. eta vs tors. theta energy: -142.628 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: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1570.193329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.193329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.193329 (E_RNA) where: Base-Base interactions energy: -988.508 where: short stacking energy: -462.304 Base-Backbone interact. energy: -0.716 local terms energy: -580.969309 where: bonds (distance) C4'-P energy: -134.805 bonds (distance) P-C4' energy: -130.236 flat angles C4'-P-C4' energy: -127.671 flat angles P-C4'-P energy: -75.967 tors. eta vs tors. theta energy: -112.291 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: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1227.430091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.430091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.430091 (E_RNA) where: Base-Base interactions energy: -697.734 where: short stacking energy: -349.239 Base-Backbone interact. energy: -1.245 local terms energy: -528.451583 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -128.509 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -57.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -933.822094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.822094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.822094 (E_RNA) where: Base-Base interactions energy: -476.681 where: short stacking energy: -251.265 Base-Backbone interact. energy: 4.081 local terms energy: -461.222761 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -128.299 flat angles C4'-P-C4' energy: -117.298 flat angles P-C4'-P energy: -68.907 tors. eta vs tors. theta energy: -12.810 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: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -828.046177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.046177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.046177 (E_RNA) where: Base-Base interactions energy: -435.277 where: short stacking energy: -239.971 Base-Backbone interact. energy: -0.453 local terms energy: -392.316621 where: bonds (distance) C4'-P energy: -106.727 bonds (distance) P-C4' energy: -116.553 flat angles C4'-P-C4' energy: -103.275 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -6.111 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: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -563.289960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.289960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.289960 (E_RNA) where: Base-Base interactions energy: -221.152 where: short stacking energy: -186.992 Base-Backbone interact. energy: 1.706 local terms energy: -343.844433 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -53.137 tors. eta vs tors. theta energy: 10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2249.341858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.341858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.341858 (E_RNA) where: Base-Base interactions energy: -1466.921 where: short stacking energy: -670.402 Base-Backbone interact. energy: -3.318 local terms energy: -779.103399 where: bonds (distance) C4'-P energy: -161.751 bonds (distance) P-C4' energy: -153.560 flat angles C4'-P-C4' energy: -156.176 flat angles P-C4'-P energy: -111.194 tors. eta vs tors. theta energy: -196.423 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: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2241.318697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.318697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.318697 (E_RNA) where: Base-Base interactions energy: -1491.434 where: short stacking energy: -640.757 Base-Backbone interact. energy: -0.072 local terms energy: -749.813090 where: bonds (distance) C4'-P energy: -136.337 bonds (distance) P-C4' energy: -147.473 flat angles C4'-P-C4' energy: -158.729 flat angles P-C4'-P energy: -114.556 tors. eta vs tors. theta energy: -192.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2059.847232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.847232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.847232 (E_RNA) where: Base-Base interactions energy: -1354.709 where: short stacking energy: -634.809 Base-Backbone interact. energy: -0.466 local terms energy: -704.672635 where: bonds (distance) C4'-P energy: -137.294 bonds (distance) P-C4' energy: -128.746 flat angles C4'-P-C4' energy: -155.708 flat angles P-C4'-P energy: -98.524 tors. eta vs tors. theta energy: -184.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2019.152616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.152616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.152616 (E_RNA) where: Base-Base interactions energy: -1340.533 where: short stacking energy: -569.631 Base-Backbone interact. energy: -1.940 local terms energy: -676.680009 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -153.901 flat angles C4'-P-C4' energy: -143.512 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -149.590 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: 45 Temperature: 1.100000 Total energy: -1762.531570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.531570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.531570 (E_RNA) where: Base-Base interactions energy: -1095.737 where: short stacking energy: -511.887 Base-Backbone interact. energy: -1.797 local terms energy: -664.997274 where: bonds (distance) C4'-P energy: -142.558 bonds (distance) P-C4' energy: -140.573 flat angles C4'-P-C4' energy: -141.377 flat angles P-C4'-P energy: -99.022 tors. eta vs tors. theta energy: -141.467 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: 45 Temperature: 1.150000 Total energy: -1619.323541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.323541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.323541 (E_RNA) where: Base-Base interactions energy: -1006.015 where: short stacking energy: -454.466 Base-Backbone interact. energy: 3.354 local terms energy: -616.661607 where: bonds (distance) C4'-P energy: -139.251 bonds (distance) P-C4' energy: -139.597 flat angles C4'-P-C4' energy: -141.846 flat angles P-C4'-P energy: -87.841 tors. eta vs tors. theta energy: -108.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1261.883537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.883537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.883537 (E_RNA) where: Base-Base interactions energy: -781.082 where: short stacking energy: -351.873 Base-Backbone interact. energy: 1.002 local terms energy: -481.803528 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -121.653 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -53.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -956.614114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.614114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.614114 (E_RNA) where: Base-Base interactions energy: -501.213 where: short stacking energy: -260.450 Base-Backbone interact. energy: -1.045 local terms energy: -454.356934 where: bonds (distance) C4'-P energy: -112.245 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -128.039 flat angles P-C4'-P energy: -82.985 tors. eta vs tors. theta energy: -12.689 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: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -787.535139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.535139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.535139 (E_RNA) where: Base-Base interactions energy: -353.235 where: short stacking energy: -210.737 Base-Backbone interact. energy: -2.930 local terms energy: -431.370905 where: bonds (distance) C4'-P energy: -113.477 bonds (distance) P-C4' energy: -109.835 flat angles C4'-P-C4' energy: -120.405 flat angles P-C4'-P energy: -89.377 tors. eta vs tors. theta energy: 1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -577.900994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.900994 (E_RNA) where: Base-Base interactions energy: -177.077 where: short stacking energy: -140.229 Base-Backbone interact. energy: 2.276 local terms energy: -403.100355 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -140.196 flat angles C4'-P-C4' energy: -78.276 flat angles P-C4'-P energy: -70.794 tors. eta vs tors. theta energy: 13.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2331.458610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.458610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.458610 (E_RNA) where: Base-Base interactions energy: -1556.304 where: short stacking energy: -700.793 Base-Backbone interact. energy: -5.086 local terms energy: -770.068486 where: bonds (distance) C4'-P energy: -139.784 bonds (distance) P-C4' energy: -155.453 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -108.975 tors. eta vs tors. theta energy: -191.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2176.143439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.143439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.143439 (E_RNA) where: Base-Base interactions energy: -1422.763 where: short stacking energy: -645.835 Base-Backbone interact. energy: -3.160 local terms energy: -750.220660 where: bonds (distance) C4'-P energy: -143.092 bonds (distance) P-C4' energy: -153.796 flat angles C4'-P-C4' energy: -164.475 flat angles P-C4'-P energy: -104.481 tors. eta vs tors. theta energy: -184.377 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: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2134.436405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.436405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.436405 (E_RNA) where: Base-Base interactions energy: -1414.953 where: short stacking energy: -620.858 Base-Backbone interact. energy: -3.616 local terms energy: -715.866907 where: bonds (distance) C4'-P energy: -150.489 bonds (distance) P-C4' energy: -139.082 flat angles C4'-P-C4' energy: -143.688 flat angles P-C4'-P energy: -98.849 tors. eta vs tors. theta energy: -183.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1999.124162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.124162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.124162 (E_RNA) where: Base-Base interactions energy: -1302.380 where: short stacking energy: -573.417 Base-Backbone interact. energy: -0.951 local terms energy: -695.792405 where: bonds (distance) C4'-P energy: -143.079 bonds (distance) P-C4' energy: -147.733 flat angles C4'-P-C4' energy: -158.334 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -166.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1824.872389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.872389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.872389 (E_RNA) where: Base-Base interactions energy: -1150.822 where: short stacking energy: -553.475 Base-Backbone interact. energy: -2.503 local terms energy: -671.547038 where: bonds (distance) C4'-P energy: -147.060 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -157.172 flat angles P-C4'-P energy: -102.853 tors. eta vs tors. theta energy: -148.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1542.260416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.260416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.260416 (E_RNA) where: Base-Base interactions energy: -951.654 where: short stacking energy: -438.828 Base-Backbone interact. energy: -1.055 local terms energy: -589.551783 where: bonds (distance) C4'-P energy: -126.157 bonds (distance) P-C4' energy: -130.294 flat angles C4'-P-C4' energy: -136.084 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -110.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1283.838860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.838860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.838860 (E_RNA) where: Base-Base interactions energy: -747.046 where: short stacking energy: -346.598 Base-Backbone interact. energy: -2.835 local terms energy: -533.958521 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -133.561 flat angles P-C4'-P energy: -67.096 tors. eta vs tors. theta energy: -63.430 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: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -904.240029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.240029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.240029 (E_RNA) where: Base-Base interactions energy: -413.786 where: short stacking energy: -240.182 Base-Backbone interact. energy: 6.994 local terms energy: -497.448280 where: bonds (distance) C4'-P energy: -130.889 bonds (distance) P-C4' energy: -135.598 flat angles C4'-P-C4' energy: -126.095 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -31.540 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: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -829.996599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.996599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.996599 (E_RNA) where: Base-Base interactions energy: -418.611 where: short stacking energy: -239.379 Base-Backbone interact. energy: -1.782 local terms energy: -409.603513 where: bonds (distance) C4'-P energy: -102.112 bonds (distance) P-C4' energy: -122.289 flat angles C4'-P-C4' energy: -123.250 flat angles P-C4'-P energy: -51.769 tors. eta vs tors. theta energy: -10.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -559.425804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.425804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.425804 (E_RNA) where: Base-Base interactions energy: -192.245 where: short stacking energy: -161.034 Base-Backbone interact. energy: 7.161 local terms energy: -374.341624 where: bonds (distance) C4'-P energy: -114.097 bonds (distance) P-C4' energy: -121.292 flat angles C4'-P-C4' energy: -108.741 flat angles P-C4'-P energy: -53.082 tors. eta vs tors. theta energy: 22.871 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: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2364.195054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.195054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.195054 (E_RNA) where: Base-Base interactions energy: -1604.288 where: short stacking energy: -729.681 Base-Backbone interact. energy: 0.295 local terms energy: -760.202034 where: bonds (distance) C4'-P energy: -134.912 bonds (distance) P-C4' energy: -158.864 flat angles C4'-P-C4' energy: -162.345 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -197.935 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: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2200.704970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.704970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.704970 (E_RNA) where: Base-Base interactions energy: -1473.499 where: short stacking energy: -677.037 Base-Backbone interact. energy: -2.501 local terms energy: -724.704969 where: bonds (distance) C4'-P energy: -138.760 bonds (distance) P-C4' energy: -145.434 flat angles C4'-P-C4' energy: -154.011 flat angles P-C4'-P energy: -105.981 tors. eta vs tors. theta energy: -180.519 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: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2173.534600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.534600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.534600 (E_RNA) where: Base-Base interactions energy: -1420.042 where: short stacking energy: -633.398 Base-Backbone interact. energy: 0.527 local terms energy: -754.018960 where: bonds (distance) C4'-P energy: -145.706 bonds (distance) P-C4' energy: -152.541 flat angles C4'-P-C4' energy: -165.888 flat angles P-C4'-P energy: -97.210 tors. eta vs tors. theta energy: -192.674 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: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2015.234824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.234824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.234824 (E_RNA) where: Base-Base interactions energy: -1320.650 where: short stacking energy: -594.221 Base-Backbone interact. energy: 3.715 local terms energy: -698.300701 where: bonds (distance) C4'-P energy: -143.982 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -157.983 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -162.119 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: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1712.570210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.570210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.570210 (E_RNA) where: Base-Base interactions energy: -1077.462 where: short stacking energy: -489.232 Base-Backbone interact. energy: -3.101 local terms energy: -632.007350 where: bonds (distance) C4'-P energy: -143.550 bonds (distance) P-C4' energy: -131.251 flat angles C4'-P-C4' energy: -140.501 flat angles P-C4'-P energy: -92.342 tors. eta vs tors. theta energy: -124.364 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1615.379868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.379868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.379868 (E_RNA) where: Base-Base interactions energy: -999.451 where: short stacking energy: -468.296 Base-Backbone interact. energy: -1.983 local terms energy: -613.946415 where: bonds (distance) C4'-P energy: -139.839 bonds (distance) P-C4' energy: -132.853 flat angles C4'-P-C4' energy: -141.492 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -108.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1350.486773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.486773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.486773 (E_RNA) where: Base-Base interactions energy: -841.965 where: short stacking energy: -371.065 Base-Backbone interact. energy: -0.142 local terms energy: -508.379708 where: bonds (distance) C4'-P energy: -133.108 bonds (distance) P-C4' energy: -134.158 flat angles C4'-P-C4' energy: -111.692 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: -51.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -884.953347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.953347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.953347 (E_RNA) where: Base-Base interactions energy: -437.803 where: short stacking energy: -251.901 Base-Backbone interact. energy: 0.254 local terms energy: -447.403887 where: bonds (distance) C4'-P energy: -123.819 bonds (distance) P-C4' energy: -126.596 flat angles C4'-P-C4' energy: -113.866 flat angles P-C4'-P energy: -70.861 tors. eta vs tors. theta energy: -12.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -749.451783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.451783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.451783 (E_RNA) where: Base-Base interactions energy: -347.452 where: short stacking energy: -199.267 Base-Backbone interact. energy: 3.965 local terms energy: -405.965275 where: bonds (distance) C4'-P energy: -102.173 bonds (distance) P-C4' energy: -118.718 flat angles C4'-P-C4' energy: -110.303 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -593.640560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.640560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.640560 (E_RNA) where: Base-Base interactions energy: -198.055 where: short stacking energy: -135.269 Base-Backbone interact. energy: -0.902 local terms energy: -394.683290 where: bonds (distance) C4'-P energy: -136.357 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -58.931 tors. eta vs tors. theta energy: 38.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2367.763160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.763160 (E_RNA) where: Base-Base interactions energy: -1584.587 where: short stacking energy: -698.268 Base-Backbone interact. energy: 0.889 local terms energy: -784.064944 where: bonds (distance) C4'-P energy: -153.438 bonds (distance) P-C4' energy: -153.465 flat angles C4'-P-C4' energy: -163.906 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -202.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2197.678744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.678744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.678744 (E_RNA) where: Base-Base interactions energy: -1430.127 where: short stacking energy: -633.927 Base-Backbone interact. energy: -2.419 local terms energy: -765.132686 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -155.003 flat angles C4'-P-C4' energy: -169.063 flat angles P-C4'-P energy: -101.378 tors. eta vs tors. theta energy: -181.814 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: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2136.164450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.164450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.164450 (E_RNA) where: Base-Base interactions energy: -1428.049 where: short stacking energy: -626.623 Base-Backbone interact. energy: -0.394 local terms energy: -707.721229 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -137.795 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -109.351 tors. eta vs tors. theta energy: -184.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2033.868512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.868512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.868512 (E_RNA) where: Base-Base interactions energy: -1360.039 where: short stacking energy: -616.273 Base-Backbone interact. energy: -1.659 local terms energy: -672.171027 where: bonds (distance) C4'-P energy: -116.306 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -151.700 flat angles P-C4'-P energy: -97.757 tors. eta vs tors. theta energy: -158.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1745.276463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.276463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.276463 (E_RNA) where: Base-Base interactions energy: -1076.287 where: short stacking energy: -523.066 Base-Backbone interact. energy: -1.319 local terms energy: -667.670643 where: bonds (distance) C4'-P energy: -131.801 bonds (distance) P-C4' energy: -139.274 flat angles C4'-P-C4' energy: -159.951 flat angles P-C4'-P energy: -94.736 tors. eta vs tors. theta energy: -141.910 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: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1543.919568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.919568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.919568 (E_RNA) where: Base-Base interactions energy: -948.611 where: short stacking energy: -434.019 Base-Backbone interact. energy: -1.087 local terms energy: -594.221612 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -136.575 flat angles C4'-P-C4' energy: -129.225 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -110.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1343.768561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.768561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.768561 (E_RNA) where: Base-Base interactions energy: -804.640 where: short stacking energy: -398.412 Base-Backbone interact. energy: 3.433 local terms energy: -542.561399 where: bonds (distance) C4'-P energy: -130.704 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -125.568 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -83.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -959.346815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.346815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.346815 (E_RNA) where: Base-Base interactions energy: -481.203 where: short stacking energy: -253.012 Base-Backbone interact. energy: -5.423 local terms energy: -472.720708 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -135.051 flat angles C4'-P-C4' energy: -122.342 flat angles P-C4'-P energy: -68.857 tors. eta vs tors. theta energy: -22.683 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: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -792.584046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.584046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.584046 (E_RNA) where: Base-Base interactions energy: -377.522 where: short stacking energy: -191.875 Base-Backbone interact. energy: 1.488 local terms energy: -416.549669 where: bonds (distance) C4'-P energy: -111.055 bonds (distance) P-C4' energy: -115.293 flat angles C4'-P-C4' energy: -123.474 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: 10.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -549.284561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.284561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.284561 (E_RNA) where: Base-Base interactions energy: -185.724 where: short stacking energy: -114.621 Base-Backbone interact. energy: 2.442 local terms energy: -366.002178 where: bonds (distance) C4'-P energy: -121.746 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -96.628 flat angles P-C4'-P energy: -59.900 tors. eta vs tors. theta energy: 46.057 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: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2375.334735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.334735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.334735 (E_RNA) where: Base-Base interactions energy: -1601.744 where: short stacking energy: -689.886 Base-Backbone interact. energy: -0.235 local terms energy: -773.355629 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -143.582 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -103.289 tors. eta vs tors. theta energy: -206.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2235.822313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.822313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.822313 (E_RNA) where: Base-Base interactions energy: -1470.508 where: short stacking energy: -630.982 Base-Backbone interact. energy: -1.217 local terms energy: -764.097627 where: bonds (distance) C4'-P energy: -147.392 bonds (distance) P-C4' energy: -146.724 flat angles C4'-P-C4' energy: -171.713 flat angles P-C4'-P energy: -116.201 tors. eta vs tors. theta energy: -182.067 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: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2131.839213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.839213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.839213 (E_RNA) where: Base-Base interactions energy: -1418.092 where: short stacking energy: -620.841 Base-Backbone interact. energy: -3.728 local terms energy: -710.019254 where: bonds (distance) C4'-P energy: -136.875 bonds (distance) P-C4' energy: -141.979 flat angles C4'-P-C4' energy: -159.629 flat angles P-C4'-P energy: -93.705 tors. eta vs tors. theta energy: -177.832 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: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2053.923436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.923436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.923436 (E_RNA) where: Base-Base interactions energy: -1380.143 where: short stacking energy: -629.817 Base-Backbone interact. energy: 1.906 local terms energy: -675.686343 where: bonds (distance) C4'-P energy: -128.983 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -153.329 flat angles P-C4'-P energy: -99.553 tors. eta vs tors. theta energy: -170.510 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: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1708.058570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.058570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.058570 (E_RNA) where: Base-Base interactions energy: -1081.882 where: short stacking energy: -535.922 Base-Backbone interact. energy: -3.475 local terms energy: -622.701600 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -138.293 flat angles P-C4'-P energy: -102.400 tors. eta vs tors. theta energy: -136.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1574.393576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.393576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.393576 (E_RNA) where: Base-Base interactions energy: -980.361 where: short stacking energy: -468.744 Base-Backbone interact. energy: -0.581 local terms energy: -593.451558 where: bonds (distance) C4'-P energy: -120.233 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -90.327 tors. eta vs tors. theta energy: -100.460 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: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1282.603940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.603940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.603940 (E_RNA) where: Base-Base interactions energy: -744.745 where: short stacking energy: -366.795 Base-Backbone interact. energy: -1.803 local terms energy: -536.055797 where: bonds (distance) C4'-P energy: -128.228 bonds (distance) P-C4' energy: -131.357 flat angles C4'-P-C4' energy: -143.096 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: -67.774 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: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -845.422825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.422825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.422825 (E_RNA) where: Base-Base interactions energy: -394.774 where: short stacking energy: -215.961 Base-Backbone interact. energy: 1.754 local terms energy: -452.402394 where: bonds (distance) C4'-P energy: -132.785 bonds (distance) P-C4' energy: -129.719 flat angles C4'-P-C4' energy: -107.462 flat angles P-C4'-P energy: -67.425 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -880.207747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.207747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.207747 (E_RNA) where: Base-Base interactions energy: -456.734 where: short stacking energy: -234.874 Base-Backbone interact. energy: 1.466 local terms energy: -424.939243 where: bonds (distance) C4'-P energy: -114.075 bonds (distance) P-C4' energy: -124.150 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -10.346 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: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -583.194050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.194050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.194050 (E_RNA) where: Base-Base interactions energy: -201.609 where: short stacking energy: -161.767 Base-Backbone interact. energy: 0.982 local terms energy: -382.566822 where: bonds (distance) C4'-P energy: -111.550 bonds (distance) P-C4' energy: -141.807 flat angles C4'-P-C4' energy: -110.136 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: 31.372 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: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2393.405723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.405723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.405723 (E_RNA) where: Base-Base interactions energy: -1637.653 where: short stacking energy: -675.417 Base-Backbone interact. energy: -5.052 local terms energy: -750.701134 where: bonds (distance) C4'-P energy: -127.547 bonds (distance) P-C4' energy: -153.190 flat angles C4'-P-C4' energy: -162.260 flat angles P-C4'-P energy: -100.114 tors. eta vs tors. theta energy: -207.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2219.971105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.971105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.971105 (E_RNA) where: Base-Base interactions energy: -1482.366 where: short stacking energy: -607.652 Base-Backbone interact. energy: -4.707 local terms energy: -732.897691 where: bonds (distance) C4'-P energy: -151.139 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -110.597 tors. eta vs tors. theta energy: -173.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2063.709913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.709913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.709913 (E_RNA) where: Base-Base interactions energy: -1364.543 where: short stacking energy: -598.766 Base-Backbone interact. energy: 0.658 local terms energy: -699.825077 where: bonds (distance) C4'-P energy: -146.333 bonds (distance) P-C4' energy: -132.781 flat angles C4'-P-C4' energy: -145.166 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -164.638 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: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2045.116565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.116565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.116565 (E_RNA) where: Base-Base interactions energy: -1325.128 where: short stacking energy: -587.379 Base-Backbone interact. energy: 0.831 local terms energy: -720.819640 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -147.158 flat angles C4'-P-C4' energy: -165.203 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -161.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1661.907377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.907377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.907377 (E_RNA) where: Base-Base interactions energy: -1024.169 where: short stacking energy: -477.980 Base-Backbone interact. energy: -2.482 local terms energy: -635.256841 where: bonds (distance) C4'-P energy: -146.816 bonds (distance) P-C4' energy: -138.597 flat angles C4'-P-C4' energy: -152.596 flat angles P-C4'-P energy: -75.413 tors. eta vs tors. theta energy: -121.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1661.558240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.558240 (E_RNA) where: Base-Base interactions energy: -1045.460 where: short stacking energy: -498.484 Base-Backbone interact. energy: -2.122 local terms energy: -613.976052 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -144.267 flat angles C4'-P-C4' energy: -146.356 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -124.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1238.616477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.616477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.616477 (E_RNA) where: Base-Base interactions energy: -683.216 where: short stacking energy: -328.970 Base-Backbone interact. energy: -4.224 local terms energy: -551.176716 where: bonds (distance) C4'-P energy: -122.400 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -128.417 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -61.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -845.667688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.667688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.667688 (E_RNA) where: Base-Base interactions energy: -414.201 where: short stacking energy: -232.592 Base-Backbone interact. energy: 0.437 local terms energy: -431.904311 where: bonds (distance) C4'-P energy: -130.212 bonds (distance) P-C4' energy: -124.208 flat angles C4'-P-C4' energy: -115.430 flat angles P-C4'-P energy: -53.987 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -891.710423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.710423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.710423 (E_RNA) where: Base-Base interactions energy: -470.615 where: short stacking energy: -240.356 Base-Backbone interact. energy: -1.911 local terms energy: -419.183810 where: bonds (distance) C4'-P energy: -112.576 bonds (distance) P-C4' energy: -141.545 flat angles C4'-P-C4' energy: -106.247 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: 0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -611.082386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.082386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.082386 (E_RNA) where: Base-Base interactions energy: -283.779 where: short stacking energy: -160.589 Base-Backbone interact. energy: 1.959 local terms energy: -329.262256 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -126.366 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -34.048 tors. eta vs tors. theta energy: 48.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2411.179059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.179059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.179059 (E_RNA) where: Base-Base interactions energy: -1646.117 where: short stacking energy: -721.784 Base-Backbone interact. energy: -3.363 local terms energy: -761.698829 where: bonds (distance) C4'-P energy: -148.542 bonds (distance) P-C4' energy: -141.422 flat angles C4'-P-C4' energy: -160.230 flat angles P-C4'-P energy: -114.815 tors. eta vs tors. theta energy: -196.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2218.445497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.445497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.445497 (E_RNA) where: Base-Base interactions energy: -1444.516 where: short stacking energy: -642.355 Base-Backbone interact. energy: -5.325 local terms energy: -768.605365 where: bonds (distance) C4'-P energy: -155.719 bonds (distance) P-C4' energy: -138.801 flat angles C4'-P-C4' energy: -175.110 flat angles P-C4'-P energy: -108.543 tors. eta vs tors. theta energy: -190.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2099.783369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.783369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.783369 (E_RNA) where: Base-Base interactions energy: -1396.975 where: short stacking energy: -635.022 Base-Backbone interact. energy: 5.633 local terms energy: -708.440999 where: bonds (distance) C4'-P energy: -131.342 bonds (distance) P-C4' energy: -147.364 flat angles C4'-P-C4' energy: -164.824 flat angles P-C4'-P energy: -88.100 tors. eta vs tors. theta energy: -176.811 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: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2055.078445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.078445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.078445 (E_RNA) where: Base-Base interactions energy: -1367.996 where: short stacking energy: -614.776 Base-Backbone interact. energy: -0.566 local terms energy: -686.516426 where: bonds (distance) C4'-P energy: -132.774 bonds (distance) P-C4' energy: -134.847 flat angles C4'-P-C4' energy: -156.808 flat angles P-C4'-P energy: -94.613 tors. eta vs tors. theta energy: -167.475 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: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1692.096525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.096525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.096525 (E_RNA) where: Base-Base interactions energy: -1067.100 where: short stacking energy: -485.913 Base-Backbone interact. energy: -0.258 local terms energy: -624.738982 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -138.854 flat angles P-C4'-P energy: -82.684 tors. eta vs tors. theta energy: -132.035 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: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1647.392946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.392946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.392946 (E_RNA) where: Base-Base interactions energy: -1047.812 where: short stacking energy: -469.419 Base-Backbone interact. energy: 1.419 local terms energy: -600.999849 where: bonds (distance) C4'-P energy: -121.771 bonds (distance) P-C4' energy: -121.068 flat angles C4'-P-C4' energy: -155.965 flat angles P-C4'-P energy: -86.142 tors. eta vs tors. theta energy: -116.054 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: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1250.791570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.791570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.791570 (E_RNA) where: Base-Base interactions energy: -716.945 where: short stacking energy: -364.717 Base-Backbone interact. energy: -2.074 local terms energy: -531.773169 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -133.097 flat angles C4'-P-C4' energy: -138.512 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -67.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -924.343296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.343296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.343296 (E_RNA) where: Base-Base interactions energy: -460.352 where: short stacking energy: -239.091 Base-Backbone interact. energy: 2.823 local terms energy: -466.813952 where: bonds (distance) C4'-P energy: -123.410 bonds (distance) P-C4' energy: -145.171 flat angles C4'-P-C4' energy: -110.892 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -7.411 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: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -801.897100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.897100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.897100 (E_RNA) where: Base-Base interactions energy: -357.534 where: short stacking energy: -201.796 Base-Backbone interact. energy: -1.128 local terms energy: -443.235305 where: bonds (distance) C4'-P energy: -128.100 bonds (distance) P-C4' energy: -137.480 flat angles C4'-P-C4' energy: -118.991 flat angles P-C4'-P energy: -64.538 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: 51 Temperature: 1.350000 Total energy: -561.187155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.187155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.187155 (E_RNA) where: Base-Base interactions energy: -229.100 where: short stacking energy: -142.662 Base-Backbone interact. energy: 2.184 local terms energy: -334.271179 where: bonds (distance) C4'-P energy: -101.137 bonds (distance) P-C4' energy: -120.248 flat angles C4'-P-C4' energy: -111.711 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: 46.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2404.984535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.984535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.984535 (E_RNA) where: Base-Base interactions energy: -1640.683 where: short stacking energy: -699.789 Base-Backbone interact. energy: -1.477 local terms energy: -762.823979 where: bonds (distance) C4'-P energy: -135.113 bonds (distance) P-C4' energy: -153.605 flat angles C4'-P-C4' energy: -170.335 flat angles P-C4'-P energy: -115.479 tors. eta vs tors. theta energy: -188.293 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: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2254.665880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.665880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.665880 (E_RNA) where: Base-Base interactions energy: -1494.686 where: short stacking energy: -655.177 Base-Backbone interact. energy: -4.106 local terms energy: -755.873757 where: bonds (distance) C4'-P energy: -140.609 bonds (distance) P-C4' energy: -153.887 flat angles C4'-P-C4' energy: -158.017 flat angles P-C4'-P energy: -103.495 tors. eta vs tors. theta energy: -199.866 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2139.603429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.603429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.603429 (E_RNA) where: Base-Base interactions energy: -1414.109 where: short stacking energy: -620.397 Base-Backbone interact. energy: -4.980 local terms energy: -720.514170 where: bonds (distance) C4'-P energy: -138.826 bonds (distance) P-C4' energy: -156.544 flat angles C4'-P-C4' energy: -157.938 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -172.263 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: 52 Temperature: 1.050000 Total energy: -2000.858769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.858769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.858769 (E_RNA) where: Base-Base interactions energy: -1328.924 where: short stacking energy: -590.245 Base-Backbone interact. energy: -2.488 local terms energy: -669.446889 where: bonds (distance) C4'-P energy: -126.848 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -152.949 flat angles P-C4'-P energy: -93.964 tors. eta vs tors. theta energy: -169.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1691.844491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.844491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.844491 (E_RNA) where: Base-Base interactions energy: -1064.277 where: short stacking energy: -460.767 Base-Backbone interact. energy: 0.958 local terms energy: -628.526176 where: bonds (distance) C4'-P energy: -141.669 bonds (distance) P-C4' energy: -153.629 flat angles C4'-P-C4' energy: -142.993 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: -115.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1652.990037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.990037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.990037 (E_RNA) where: Base-Base interactions energy: -1033.356 where: short stacking energy: -494.200 Base-Backbone interact. energy: 0.974 local terms energy: -620.607543 where: bonds (distance) C4'-P energy: -122.464 bonds (distance) P-C4' energy: -131.901 flat angles C4'-P-C4' energy: -138.170 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -127.622 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: 7, replica: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1266.692260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.692260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.692260 (E_RNA) where: Base-Base interactions energy: -783.673 where: short stacking energy: -353.507 Base-Backbone interact. energy: -0.026 local terms energy: -482.993936 where: bonds (distance) C4'-P energy: -121.452 bonds (distance) P-C4' energy: -115.209 flat angles C4'-P-C4' energy: -130.525 flat angles P-C4'-P energy: -68.470 tors. eta vs tors. theta energy: -47.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -943.963654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.963654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.963654 (E_RNA) where: Base-Base interactions energy: -482.640 where: short stacking energy: -246.941 Base-Backbone interact. energy: 1.111 local terms energy: -462.434553 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -123.188 flat angles C4'-P-C4' energy: -116.824 flat angles P-C4'-P energy: -81.420 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: 52 Temperature: 1.300000 Total energy: -771.711759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.711759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.711759 (E_RNA) where: Base-Base interactions energy: -359.068 where: short stacking energy: -214.487 Base-Backbone interact. energy: -5.010 local terms energy: -407.633040 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -133.533 flat angles C4'-P-C4' energy: -98.002 flat angles P-C4'-P energy: -64.521 tors. eta vs tors. theta energy: 0.738 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: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -562.909830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.909830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.909830 (E_RNA) where: Base-Base interactions energy: -198.929 where: short stacking energy: -130.097 Base-Backbone interact. energy: -0.550 local terms energy: -363.431640 where: bonds (distance) C4'-P energy: -117.373 bonds (distance) P-C4' energy: -133.797 flat angles C4'-P-C4' energy: -93.575 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: 41.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2371.173999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.173999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.173999 (E_RNA) where: Base-Base interactions energy: -1593.833 where: short stacking energy: -688.831 Base-Backbone interact. energy: -2.697 local terms energy: -774.644036 where: bonds (distance) C4'-P energy: -145.421 bonds (distance) P-C4' energy: -155.701 flat angles C4'-P-C4' energy: -170.013 flat angles P-C4'-P energy: -110.264 tors. eta vs tors. theta energy: -193.244 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2221.533325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.533325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.533325 (E_RNA) where: Base-Base interactions energy: -1477.859 where: short stacking energy: -687.180 Base-Backbone interact. energy: -5.087 local terms energy: -738.586430 where: bonds (distance) C4'-P energy: -136.353 bonds (distance) P-C4' energy: -130.281 flat angles C4'-P-C4' energy: -159.161 flat angles P-C4'-P energy: -114.869 tors. eta vs tors. theta energy: -197.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2181.413837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.413837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.413837 (E_RNA) where: Base-Base interactions energy: -1450.766 where: short stacking energy: -641.402 Base-Backbone interact. energy: -0.110 local terms energy: -730.537677 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -165.195 flat angles C4'-P-C4' energy: -157.791 flat angles P-C4'-P energy: -76.825 tors. eta vs tors. theta energy: -185.721 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: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1967.500498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.500498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.500498 (E_RNA) where: Base-Base interactions energy: -1271.096 where: short stacking energy: -586.242 Base-Backbone interact. energy: -1.336 local terms energy: -695.068891 where: bonds (distance) C4'-P energy: -143.049 bonds (distance) P-C4' energy: -142.831 flat angles C4'-P-C4' energy: -167.675 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -173.284 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: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1733.213900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.213900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.213900 (E_RNA) where: Base-Base interactions energy: -1117.383 where: short stacking energy: -491.095 Base-Backbone interact. energy: -4.049 local terms energy: -611.781698 where: bonds (distance) C4'-P energy: -141.449 bonds (distance) P-C4' energy: -129.994 flat angles C4'-P-C4' energy: -138.951 flat angles P-C4'-P energy: -91.118 tors. eta vs tors. theta energy: -110.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1642.980161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.980161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.980161 (E_RNA) where: Base-Base interactions energy: -1046.177 where: short stacking energy: -497.299 Base-Backbone interact. energy: -0.139 local terms energy: -596.663545 where: bonds (distance) C4'-P energy: -134.607 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -141.060 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -126.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1414.343880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.343880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.343880 (E_RNA) where: Base-Base interactions energy: -847.594 where: short stacking energy: -392.900 Base-Backbone interact. energy: 1.792 local terms energy: -568.542654 where: bonds (distance) C4'-P energy: -135.842 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -136.016 flat angles P-C4'-P energy: -67.666 tors. eta vs tors. theta energy: -85.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -950.548779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.548779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.548779 (E_RNA) where: Base-Base interactions energy: -470.167 where: short stacking energy: -255.745 Base-Backbone interact. energy: 0.990 local terms energy: -481.371223 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -127.200 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -857.728222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.728222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.728222 (E_RNA) where: Base-Base interactions energy: -408.461 where: short stacking energy: -249.203 Base-Backbone interact. energy: 1.268 local terms energy: -450.535424 where: bonds (distance) C4'-P energy: -124.470 bonds (distance) P-C4' energy: -139.748 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -14.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -615.244144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.244144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.244144 (E_RNA) where: Base-Base interactions energy: -227.369 where: short stacking energy: -158.585 Base-Backbone interact. energy: 3.940 local terms energy: -391.814362 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -93.607 flat angles P-C4'-P energy: -72.080 tors. eta vs tors. theta energy: 31.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2365.224208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.224208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.224208 (E_RNA) where: Base-Base interactions energy: -1564.574 where: short stacking energy: -685.602 Base-Backbone interact. energy: -4.376 local terms energy: -796.274787 where: bonds (distance) C4'-P energy: -157.175 bonds (distance) P-C4' energy: -149.388 flat angles C4'-P-C4' energy: -179.642 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -202.540 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2285.731111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.731111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.731111 (E_RNA) where: Base-Base interactions energy: -1541.128 where: short stacking energy: -648.747 Base-Backbone interact. energy: 3.412 local terms energy: -748.014486 where: bonds (distance) C4'-P energy: -131.743 bonds (distance) P-C4' energy: -135.966 flat angles C4'-P-C4' energy: -173.150 flat angles P-C4'-P energy: -105.091 tors. eta vs tors. theta energy: -202.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2185.678126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.678126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.678126 (E_RNA) where: Base-Base interactions energy: -1449.258 where: short stacking energy: -657.645 Base-Backbone interact. energy: 1.440 local terms energy: -737.860818 where: bonds (distance) C4'-P energy: -143.655 bonds (distance) P-C4' energy: -154.280 flat angles C4'-P-C4' energy: -155.732 flat angles P-C4'-P energy: -98.710 tors. eta vs tors. theta energy: -185.484 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: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1936.100380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.100380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.100380 (E_RNA) where: Base-Base interactions energy: -1257.091 where: short stacking energy: -527.057 Base-Backbone interact. energy: -2.882 local terms energy: -676.127619 where: bonds (distance) C4'-P energy: -134.466 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -157.376 flat angles P-C4'-P energy: -94.749 tors. eta vs tors. theta energy: -143.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1768.020666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.020666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.020666 (E_RNA) where: Base-Base interactions energy: -1150.822 where: short stacking energy: -534.695 Base-Backbone interact. energy: 2.129 local terms energy: -619.327752 where: bonds (distance) C4'-P energy: -124.312 bonds (distance) P-C4' energy: -136.424 flat angles C4'-P-C4' energy: -150.035 flat angles P-C4'-P energy: -72.732 tors. eta vs tors. theta energy: -135.825 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1655.162465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.162465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.162465 (E_RNA) where: Base-Base interactions energy: -1043.182 where: short stacking energy: -480.790 Base-Backbone interact. energy: -1.632 local terms energy: -610.348725 where: bonds (distance) C4'-P energy: -139.672 bonds (distance) P-C4' energy: -128.367 flat angles C4'-P-C4' energy: -132.552 flat angles P-C4'-P energy: -86.045 tors. eta vs tors. theta energy: -123.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1359.275532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.275532 (E_RNA) where: Base-Base interactions energy: -862.777 where: short stacking energy: -368.574 Base-Backbone interact. energy: -3.988 local terms energy: -492.510511 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -113.500 flat angles C4'-P-C4' energy: -122.014 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -69.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -918.426333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.426333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.426333 (E_RNA) where: Base-Base interactions energy: -455.181 where: short stacking energy: -268.865 Base-Backbone interact. energy: 1.766 local terms energy: -465.011425 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -29.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -689.771266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.771266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.771266 (E_RNA) where: Base-Base interactions energy: -314.615 where: short stacking energy: -193.076 Base-Backbone interact. energy: 14.086 local terms energy: -389.242131 where: bonds (distance) C4'-P energy: -123.404 bonds (distance) P-C4' energy: -124.341 flat angles C4'-P-C4' energy: -93.798 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: 12.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -619.170723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.170723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.170723 (E_RNA) where: Base-Base interactions energy: -218.131 where: short stacking energy: -146.162 Base-Backbone interact. energy: 4.387 local terms energy: -405.426316 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -130.260 flat angles C4'-P-C4' energy: -116.128 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: 30.324 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: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2382.245837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.245837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.245837 (E_RNA) where: Base-Base interactions energy: -1605.587 where: short stacking energy: -725.784 Base-Backbone interact. energy: -0.974 local terms energy: -775.685481 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -158.088 flat angles C4'-P-C4' energy: -175.272 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -204.981 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: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2293.642562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.642562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.642562 (E_RNA) where: Base-Base interactions energy: -1537.614 where: short stacking energy: -695.082 Base-Backbone interact. energy: 1.040 local terms energy: -757.068218 where: bonds (distance) C4'-P energy: -125.443 bonds (distance) P-C4' energy: -148.193 flat angles C4'-P-C4' energy: -171.249 flat angles P-C4'-P energy: -106.593 tors. eta vs tors. theta energy: -205.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2147.583302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.583302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.583302 (E_RNA) where: Base-Base interactions energy: -1453.869 where: short stacking energy: -654.062 Base-Backbone interact. energy: 0.478 local terms energy: -694.192886 where: bonds (distance) C4'-P energy: -125.886 bonds (distance) P-C4' energy: -126.565 flat angles C4'-P-C4' energy: -148.398 flat angles P-C4'-P energy: -98.040 tors. eta vs tors. theta energy: -195.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1963.952728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.952728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.952728 (E_RNA) where: Base-Base interactions energy: -1251.249 where: short stacking energy: -589.484 Base-Backbone interact. energy: -3.331 local terms energy: -709.373053 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -166.381 flat angles P-C4'-P energy: -90.852 tors. eta vs tors. theta energy: -178.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1737.193334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.193334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.193334 (E_RNA) where: Base-Base interactions energy: -1102.247 where: short stacking energy: -454.618 Base-Backbone interact. energy: -5.703 local terms energy: -629.242724 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -130.478 flat angles C4'-P-C4' energy: -146.693 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -116.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1661.263331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.263331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.263331 (E_RNA) where: Base-Base interactions energy: -1061.190 where: short stacking energy: -493.598 Base-Backbone interact. energy: 4.472 local terms energy: -604.545256 where: bonds (distance) C4'-P energy: -118.238 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -146.737 flat angles P-C4'-P energy: -84.300 tors. eta vs tors. theta energy: -120.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1370.117282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.117282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.117282 (E_RNA) where: Base-Base interactions energy: -817.625 where: short stacking energy: -371.889 Base-Backbone interact. energy: -3.711 local terms energy: -548.781307 where: bonds (distance) C4'-P energy: -134.449 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -123.005 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -65.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -829.144858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.144858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.144858 (E_RNA) where: Base-Base interactions energy: -406.037 where: short stacking energy: -217.687 Base-Backbone interact. energy: 2.561 local terms energy: -425.669095 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -124.890 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -60.255 tors. eta vs tors. theta energy: 3.409 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: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -925.821267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.821267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.821267 (E_RNA) where: Base-Base interactions energy: -511.391 where: short stacking energy: -262.510 Base-Backbone interact. energy: 0.246 local terms energy: -414.676794 where: bonds (distance) C4'-P energy: -112.280 bonds (distance) P-C4' energy: -134.816 flat angles C4'-P-C4' energy: -109.471 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -621.600644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.600644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.600644 (E_RNA) where: Base-Base interactions energy: -273.695 where: short stacking energy: -173.353 Base-Backbone interact. energy: 3.339 local terms energy: -351.244023 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -89.985 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: 38.381 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: 56 Temperature: 0.900000 Total energy: -2393.363197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.363197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.363197 (E_RNA) where: Base-Base interactions energy: -1586.223 where: short stacking energy: -732.752 Base-Backbone interact. energy: -5.079 local terms energy: -802.061200 where: bonds (distance) C4'-P energy: -135.464 bonds (distance) P-C4' energy: -171.055 flat angles C4'-P-C4' energy: -179.534 flat angles P-C4'-P energy: -103.757 tors. eta vs tors. theta energy: -212.251 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: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2275.274930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.274930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.274930 (E_RNA) where: Base-Base interactions energy: -1490.038 where: short stacking energy: -662.795 Base-Backbone interact. energy: -1.802 local terms energy: -783.435368 where: bonds (distance) C4'-P energy: -152.655 bonds (distance) P-C4' energy: -152.682 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -106.908 tors. eta vs tors. theta energy: -195.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2155.657021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.657021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.657021 (E_RNA) where: Base-Base interactions energy: -1419.769 where: short stacking energy: -672.830 Base-Backbone interact. energy: -0.420 local terms energy: -735.467581 where: bonds (distance) C4'-P energy: -146.333 bonds (distance) P-C4' energy: -148.938 flat angles C4'-P-C4' energy: -159.151 flat angles P-C4'-P energy: -94.401 tors. eta vs tors. theta energy: -186.645 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: 56 Temperature: 1.050000 Total energy: -1951.495255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.495255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.495255 (E_RNA) where: Base-Base interactions energy: -1278.219 where: short stacking energy: -541.153 Base-Backbone interact. energy: -3.077 local terms energy: -670.199174 where: bonds (distance) C4'-P energy: -135.096 bonds (distance) P-C4' energy: -141.120 flat angles C4'-P-C4' energy: -144.500 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -157.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1732.965016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.965016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.965016 (E_RNA) where: Base-Base interactions energy: -1089.505 where: short stacking energy: -485.157 Base-Backbone interact. energy: -0.390 local terms energy: -643.069852 where: bonds (distance) C4'-P energy: -140.348 bonds (distance) P-C4' energy: -155.347 flat angles C4'-P-C4' energy: -156.064 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -112.165 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: 56 Temperature: 1.150000 Total energy: -1679.254013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.254013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.254013 (E_RNA) where: Base-Base interactions energy: -1061.036 where: short stacking energy: -504.581 Base-Backbone interact. energy: -3.293 local terms energy: -614.924291 where: bonds (distance) C4'-P energy: -129.975 bonds (distance) P-C4' energy: -136.293 flat angles C4'-P-C4' energy: -127.241 flat angles P-C4'-P energy: -81.407 tors. eta vs tors. theta energy: -140.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1281.626827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.626827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.626827 (E_RNA) where: Base-Base interactions energy: -777.428 where: short stacking energy: -344.197 Base-Backbone interact. energy: 0.778 local terms energy: -504.976921 where: bonds (distance) C4'-P energy: -124.290 bonds (distance) P-C4' energy: -129.875 flat angles C4'-P-C4' energy: -117.014 flat angles P-C4'-P energy: -79.565 tors. eta vs tors. theta energy: -54.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -818.565984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.565984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.565984 (E_RNA) where: Base-Base interactions energy: -369.152 where: short stacking energy: -217.285 Base-Backbone interact. energy: -0.808 local terms energy: -448.606000 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -118.840 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -7.860 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: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -851.388887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.388887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.388887 (E_RNA) where: Base-Base interactions energy: -446.510 where: short stacking energy: -238.118 Base-Backbone interact. energy: -0.226 local terms energy: -404.652786 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -68.819 tors. eta vs tors. theta energy: 5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -591.790042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.790042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.790042 (E_RNA) where: Base-Base interactions energy: -216.290 where: short stacking energy: -147.398 Base-Backbone interact. energy: 1.605 local terms energy: -377.105239 where: bonds (distance) C4'-P energy: -115.498 bonds (distance) P-C4' energy: -139.954 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -61.417 tors. eta vs tors. theta energy: 32.015 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: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2383.361371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.361371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.361371 (E_RNA) where: Base-Base interactions energy: -1598.099 where: short stacking energy: -714.309 Base-Backbone interact. energy: 0.784 local terms energy: -786.045916 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -151.222 flat angles C4'-P-C4' energy: -171.008 flat angles P-C4'-P energy: -126.419 tors. eta vs tors. theta energy: -211.457 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: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2322.972435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.972435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.972435 (E_RNA) where: Base-Base interactions energy: -1583.660 where: short stacking energy: -684.385 Base-Backbone interact. energy: -2.518 local terms energy: -736.795076 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -133.094 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -210.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2151.075093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.075093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.075093 (E_RNA) where: Base-Base interactions energy: -1407.280 where: short stacking energy: -640.259 Base-Backbone interact. energy: -2.356 local terms energy: -741.439169 where: bonds (distance) C4'-P energy: -147.476 bonds (distance) P-C4' energy: -147.000 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -196.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1945.504119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.504119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.504119 (E_RNA) where: Base-Base interactions energy: -1267.581 where: short stacking energy: -579.987 Base-Backbone interact. energy: -4.010 local terms energy: -673.913859 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -141.102 flat angles C4'-P-C4' energy: -150.816 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -166.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1773.468936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.468936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.468936 (E_RNA) where: Base-Base interactions energy: -1130.620 where: short stacking energy: -534.108 Base-Backbone interact. energy: 0.260 local terms energy: -643.108733 where: bonds (distance) C4'-P energy: -117.444 bonds (distance) P-C4' energy: -140.315 flat angles C4'-P-C4' energy: -148.007 flat angles P-C4'-P energy: -99.369 tors. eta vs tors. theta energy: -137.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1687.394827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.394827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.394827 (E_RNA) where: Base-Base interactions energy: -1056.747 where: short stacking energy: -499.577 Base-Backbone interact. energy: -4.128 local terms energy: -626.519317 where: bonds (distance) C4'-P energy: -122.218 bonds (distance) P-C4' energy: -128.291 flat angles C4'-P-C4' energy: -139.449 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -142.372 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: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1251.506171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.506171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.506171 (E_RNA) where: Base-Base interactions energy: -718.068 where: short stacking energy: -351.414 Base-Backbone interact. energy: -0.753 local terms energy: -532.685666 where: bonds (distance) C4'-P energy: -125.732 bonds (distance) P-C4' energy: -160.831 flat angles C4'-P-C4' energy: -134.574 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -49.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -918.426565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.426565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.426565 (E_RNA) where: Base-Base interactions energy: -442.267 where: short stacking energy: -232.694 Base-Backbone interact. energy: 0.491 local terms energy: -476.650223 where: bonds (distance) C4'-P energy: -141.246 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -122.405 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -10.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -738.556870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.556870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.556870 (E_RNA) where: Base-Base interactions energy: -350.750 where: short stacking energy: -211.561 Base-Backbone interact. energy: -2.806 local terms energy: -385.001754 where: bonds (distance) C4'-P energy: -119.431 bonds (distance) P-C4' energy: -116.817 flat angles C4'-P-C4' energy: -102.161 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: 8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -555.897689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.897689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.897689 (E_RNA) where: Base-Base interactions energy: -194.340 where: short stacking energy: -147.468 Base-Backbone interact. energy: -2.488 local terms energy: -359.069322 where: bonds (distance) C4'-P energy: -111.697 bonds (distance) P-C4' energy: -115.996 flat angles C4'-P-C4' energy: -103.012 flat angles P-C4'-P energy: -62.951 tors. eta vs tors. theta energy: 34.586 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: 58 Temperature: 0.900000 Total energy: -2379.593950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.593950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.593950 (E_RNA) where: Base-Base interactions energy: -1592.932 where: short stacking energy: -673.301 Base-Backbone interact. energy: -1.267 local terms energy: -785.395149 where: bonds (distance) C4'-P energy: -164.618 bonds (distance) P-C4' energy: -155.597 flat angles C4'-P-C4' energy: -173.547 flat angles P-C4'-P energy: -97.615 tors. eta vs tors. theta energy: -194.019 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2309.583324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.583324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.583324 (E_RNA) where: Base-Base interactions energy: -1537.101 where: short stacking energy: -652.804 Base-Backbone interact. energy: -2.332 local terms energy: -770.149603 where: bonds (distance) C4'-P energy: -155.770 bonds (distance) P-C4' energy: -151.889 flat angles C4'-P-C4' energy: -147.839 flat angles P-C4'-P energy: -111.708 tors. eta vs tors. theta energy: -202.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2183.792641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.792641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.792641 (E_RNA) where: Base-Base interactions energy: -1427.267 where: short stacking energy: -617.888 Base-Backbone interact. energy: 1.879 local terms energy: -758.405181 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -153.170 flat angles C4'-P-C4' energy: -171.287 flat angles P-C4'-P energy: -92.218 tors. eta vs tors. theta energy: -186.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1945.089266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.089266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.089266 (E_RNA) where: Base-Base interactions energy: -1262.424 where: short stacking energy: -568.057 Base-Backbone interact. energy: -0.690 local terms energy: -681.976049 where: bonds (distance) C4'-P energy: -135.094 bonds (distance) P-C4' energy: -146.068 flat angles C4'-P-C4' energy: -157.615 flat angles P-C4'-P energy: -86.098 tors. eta vs tors. theta energy: -157.101 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: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1816.209273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.209273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.209273 (E_RNA) where: Base-Base interactions energy: -1176.264 where: short stacking energy: -545.515 Base-Backbone interact. energy: -0.441 local terms energy: -639.503917 where: bonds (distance) C4'-P energy: -117.754 bonds (distance) P-C4' energy: -134.150 flat angles C4'-P-C4' energy: -153.084 flat angles P-C4'-P energy: -85.653 tors. eta vs tors. theta energy: -148.863 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: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1628.658640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.658640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.658640 (E_RNA) where: Base-Base interactions energy: -1020.330 where: short stacking energy: -495.468 Base-Backbone interact. energy: 0.790 local terms energy: -609.119381 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -132.233 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -117.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1226.370919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.370919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.370919 (E_RNA) where: Base-Base interactions energy: -686.821 where: short stacking energy: -336.124 Base-Backbone interact. energy: 5.064 local terms energy: -544.614000 where: bonds (distance) C4'-P energy: -131.320 bonds (distance) P-C4' energy: -124.187 flat angles C4'-P-C4' energy: -133.465 flat angles P-C4'-P energy: -95.835 tors. eta vs tors. theta energy: -59.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -930.014677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.014677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.014677 (E_RNA) where: Base-Base interactions energy: -463.339 where: short stacking energy: -246.854 Base-Backbone interact. energy: -2.639 local terms energy: -464.036478 where: bonds (distance) C4'-P energy: -126.048 bonds (distance) P-C4' energy: -137.471 flat angles C4'-P-C4' energy: -100.881 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -716.596477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.596477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.596477 (E_RNA) where: Base-Base interactions energy: -311.174 where: short stacking energy: -200.286 Base-Backbone interact. energy: 7.016 local terms energy: -412.438403 where: bonds (distance) C4'-P energy: -110.927 bonds (distance) P-C4' energy: -129.961 flat angles C4'-P-C4' energy: -92.407 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -576.657991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.657991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.657991 (E_RNA) where: Base-Base interactions energy: -224.067 where: short stacking energy: -164.875 Base-Backbone interact. energy: -4.501 local terms energy: -348.089825 where: bonds (distance) C4'-P energy: -111.668 bonds (distance) P-C4' energy: -131.502 flat angles C4'-P-C4' energy: -97.736 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: 37.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2383.968202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.968202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.968202 (E_RNA) where: Base-Base interactions energy: -1593.440 where: short stacking energy: -681.630 Base-Backbone interact. energy: -5.815 local terms energy: -784.713322 where: bonds (distance) C4'-P energy: -151.491 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -165.256 flat angles P-C4'-P energy: -111.412 tors. eta vs tors. theta energy: -200.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2247.075553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.075553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.075553 (E_RNA) where: Base-Base interactions energy: -1509.637 where: short stacking energy: -642.633 Base-Backbone interact. energy: -0.097 local terms energy: -737.341257 where: bonds (distance) C4'-P energy: -147.461 bonds (distance) P-C4' energy: -145.686 flat angles C4'-P-C4' energy: -148.685 flat angles P-C4'-P energy: -106.777 tors. eta vs tors. theta energy: -188.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2193.747694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.747694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.747694 (E_RNA) where: Base-Base interactions energy: -1464.496 where: short stacking energy: -647.431 Base-Backbone interact. energy: -2.424 local terms energy: -726.828584 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -162.624 flat angles P-C4'-P energy: -106.153 tors. eta vs tors. theta energy: -191.921 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: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1931.672348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.672348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.672348 (E_RNA) where: Base-Base interactions energy: -1249.256 where: short stacking energy: -597.535 Base-Backbone interact. energy: -0.785 local terms energy: -681.631642 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -136.336 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -97.580 tors. eta vs tors. theta energy: -170.365 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: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1765.722657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.722657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.722657 (E_RNA) where: Base-Base interactions energy: -1129.385 where: short stacking energy: -500.827 Base-Backbone interact. energy: -0.205 local terms energy: -636.132413 where: bonds (distance) C4'-P energy: -137.001 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -139.023 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -123.581 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: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1636.293717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.293717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.293717 (E_RNA) where: Base-Base interactions energy: -1015.653 where: short stacking energy: -493.720 Base-Backbone interact. energy: -1.035 local terms energy: -619.605682 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -133.154 flat angles C4'-P-C4' energy: -142.725 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -120.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1265.691613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.691613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.691613 (E_RNA) where: Base-Base interactions energy: -753.510 where: short stacking energy: -343.490 Base-Backbone interact. energy: -3.656 local terms energy: -508.525261 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -128.998 flat angles C4'-P-C4' energy: -117.534 flat angles P-C4'-P energy: -83.655 tors. eta vs tors. theta energy: -60.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -972.528545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.528545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.528545 (E_RNA) where: Base-Base interactions energy: -519.688 where: short stacking energy: -279.477 Base-Backbone interact. energy: 0.741 local terms energy: -453.581680 where: bonds (distance) C4'-P energy: -128.475 bonds (distance) P-C4' energy: -136.717 flat angles C4'-P-C4' energy: -108.834 flat angles P-C4'-P energy: -61.204 tors. eta vs tors. theta energy: -18.353 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: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -712.198387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.198387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.198387 (E_RNA) where: Base-Base interactions energy: -305.417 where: short stacking energy: -203.215 Base-Backbone interact. energy: -1.382 local terms energy: -405.399169 where: bonds (distance) C4'-P energy: -111.988 bonds (distance) P-C4' energy: -128.818 flat angles C4'-P-C4' energy: -126.518 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: 17.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -554.394365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.394365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.394365 (E_RNA) where: Base-Base interactions energy: -181.398 where: short stacking energy: -153.233 Base-Backbone interact. energy: 2.942 local terms energy: -375.938748 where: bonds (distance) C4'-P energy: -124.313 bonds (distance) P-C4' energy: -130.445 flat angles C4'-P-C4' energy: -96.257 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: 20.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2382.518004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.518004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.518004 (E_RNA) where: Base-Base interactions energy: -1609.594 where: short stacking energy: -711.287 Base-Backbone interact. energy: -2.458 local terms energy: -770.466402 where: bonds (distance) C4'-P energy: -143.661 bonds (distance) P-C4' energy: -166.494 flat angles C4'-P-C4' energy: -159.702 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -203.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2262.043657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.043657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.043657 (E_RNA) where: Base-Base interactions energy: -1518.413 where: short stacking energy: -656.031 Base-Backbone interact. energy: -1.191 local terms energy: -742.440077 where: bonds (distance) C4'-P energy: -148.657 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -105.103 tors. eta vs tors. theta energy: -204.303 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: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2158.417384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.417384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.417384 (E_RNA) where: Base-Base interactions energy: -1450.807 where: short stacking energy: -658.124 Base-Backbone interact. energy: -0.681 local terms energy: -706.929761 where: bonds (distance) C4'-P energy: -129.177 bonds (distance) P-C4' energy: -132.139 flat angles C4'-P-C4' energy: -151.762 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -197.360 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: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1962.279595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.279595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.279595 (E_RNA) where: Base-Base interactions energy: -1300.021 where: short stacking energy: -592.851 Base-Backbone interact. energy: -0.784 local terms energy: -661.474116 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -137.683 flat angles C4'-P-C4' energy: -147.013 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -153.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1760.358029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.358029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.358029 (E_RNA) where: Base-Base interactions energy: -1126.587 where: short stacking energy: -531.460 Base-Backbone interact. energy: -1.335 local terms energy: -632.436864 where: bonds (distance) C4'-P energy: -126.486 bonds (distance) P-C4' energy: -144.371 flat angles C4'-P-C4' energy: -141.656 flat angles P-C4'-P energy: -93.893 tors. eta vs tors. theta energy: -126.031 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: 60 Temperature: 1.150000 Total energy: -1713.791164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.791164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.791164 (E_RNA) where: Base-Base interactions energy: -1103.361 where: short stacking energy: -500.673 Base-Backbone interact. energy: 0.807 local terms energy: -611.237627 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -136.940 flat angles C4'-P-C4' energy: -141.913 flat angles P-C4'-P energy: -79.730 tors. eta vs tors. theta energy: -113.755 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: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1336.345560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.345560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.345560 (E_RNA) where: Base-Base interactions energy: -801.862 where: short stacking energy: -347.154 Base-Backbone interact. energy: -6.614 local terms energy: -527.869738 where: bonds (distance) C4'-P energy: -120.939 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -127.125 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -64.488 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: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1052.494697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.494697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.494697 (E_RNA) where: Base-Base interactions energy: -608.017 where: short stacking energy: -302.527 Base-Backbone interact. energy: 0.010 local terms energy: -444.487508 where: bonds (distance) C4'-P energy: -126.628 bonds (distance) P-C4' energy: -115.756 flat angles C4'-P-C4' energy: -107.026 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: -34.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -710.893586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.893586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.893586 (E_RNA) where: Base-Base interactions energy: -312.777 where: short stacking energy: -193.433 Base-Backbone interact. energy: -5.630 local terms energy: -392.487089 where: bonds (distance) C4'-P energy: -111.214 bonds (distance) P-C4' energy: -116.548 flat angles C4'-P-C4' energy: -106.236 flat angles P-C4'-P energy: -55.538 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: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -567.054108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.054108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.054108 (E_RNA) where: Base-Base interactions energy: -165.393 where: short stacking energy: -148.078 Base-Backbone interact. energy: -0.328 local terms energy: -401.333056 where: bonds (distance) C4'-P energy: -130.619 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -103.786 flat angles P-C4'-P energy: -62.475 tors. eta vs tors. theta energy: 23.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2390.519873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.519873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.519873 (E_RNA) where: Base-Base interactions energy: -1609.348 where: short stacking energy: -682.841 Base-Backbone interact. energy: -4.829 local terms energy: -776.343088 where: bonds (distance) C4'-P energy: -148.464 bonds (distance) P-C4' energy: -146.097 flat angles C4'-P-C4' energy: -183.372 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -203.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2296.327616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.327616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.327616 (E_RNA) where: Base-Base interactions energy: -1518.947 where: short stacking energy: -702.759 Base-Backbone interact. energy: -3.830 local terms energy: -773.551442 where: bonds (distance) C4'-P energy: -140.760 bonds (distance) P-C4' energy: -152.716 flat angles C4'-P-C4' energy: -162.235 flat angles P-C4'-P energy: -108.001 tors. eta vs tors. theta energy: -209.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2143.314843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.314843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.314843 (E_RNA) where: Base-Base interactions energy: -1425.090 where: short stacking energy: -631.515 Base-Backbone interact. energy: 4.067 local terms energy: -722.291292 where: bonds (distance) C4'-P energy: -150.829 bonds (distance) P-C4' energy: -134.091 flat angles C4'-P-C4' energy: -157.230 flat angles P-C4'-P energy: -83.979 tors. eta vs tors. theta energy: -196.163 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: 4, replica: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1938.612136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.612136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.612136 (E_RNA) where: Base-Base interactions energy: -1291.611 where: short stacking energy: -568.355 Base-Backbone interact. energy: 8.925 local terms energy: -655.926447 where: bonds (distance) C4'-P energy: -125.035 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -144.589 flat angles P-C4'-P energy: -95.966 tors. eta vs tors. theta energy: -147.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1759.472790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.472790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.472790 (E_RNA) where: Base-Base interactions energy: -1100.344 where: short stacking energy: -521.854 Base-Backbone interact. energy: 3.452 local terms energy: -662.580762 where: bonds (distance) C4'-P energy: -151.819 bonds (distance) P-C4' energy: -158.705 flat angles C4'-P-C4' energy: -139.370 flat angles P-C4'-P energy: -80.848 tors. eta vs tors. theta energy: -131.840 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: 6, replica: 10 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1644.432872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.432872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.432872 (E_RNA) where: Base-Base interactions energy: -1036.716 where: short stacking energy: -455.470 Base-Backbone interact. energy: -1.744 local terms energy: -605.973059 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -126.629 flat angles C4'-P-C4' energy: -143.798 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -122.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1367.301239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.301239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.301239 (E_RNA) where: Base-Base interactions energy: -828.824 where: short stacking energy: -373.471 Base-Backbone interact. energy: -1.922 local terms energy: -536.555027 where: bonds (distance) C4'-P energy: -121.278 bonds (distance) P-C4' energy: -129.740 flat angles C4'-P-C4' energy: -123.832 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -83.313 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1028.938917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.938917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.938917 (E_RNA) where: Base-Base interactions energy: -545.451 where: short stacking energy: -302.081 Base-Backbone interact. energy: 1.198 local terms energy: -484.686406 where: bonds (distance) C4'-P energy: -143.828 bonds (distance) P-C4' energy: -112.150 flat angles C4'-P-C4' energy: -120.306 flat angles P-C4'-P energy: -74.266 tors. eta vs tors. theta energy: -34.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -704.548941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.548941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.548941 (E_RNA) where: Base-Base interactions energy: -287.674 where: short stacking energy: -188.575 Base-Backbone interact. energy: 1.103 local terms energy: -417.977830 where: bonds (distance) C4'-P energy: -133.516 bonds (distance) P-C4' energy: -105.007 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -70.368 tors. eta vs tors. theta energy: 20.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -569.452663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.452663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.452663 (E_RNA) where: Base-Base interactions energy: -162.849 where: short stacking energy: -136.488 Base-Backbone interact. energy: -3.965 local terms energy: -402.638063 where: bonds (distance) C4'-P energy: -117.472 bonds (distance) P-C4' energy: -126.267 flat angles C4'-P-C4' energy: -118.247 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: 30.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2365.397578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.397578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.397578 (E_RNA) where: Base-Base interactions energy: -1574.983 where: short stacking energy: -677.803 Base-Backbone interact. energy: 1.976 local terms energy: -792.389835 where: bonds (distance) C4'-P energy: -160.361 bonds (distance) P-C4' energy: -152.627 flat angles C4'-P-C4' energy: -174.398 flat angles P-C4'-P energy: -111.911 tors. eta vs tors. theta energy: -193.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2322.885147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.885147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.885147 (E_RNA) where: Base-Base interactions energy: -1525.008 where: short stacking energy: -708.546 Base-Backbone interact. energy: -2.949 local terms energy: -794.928277 where: bonds (distance) C4'-P energy: -147.080 bonds (distance) P-C4' energy: -146.772 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -115.673 tors. eta vs tors. theta energy: -209.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2165.505725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.505725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.505725 (E_RNA) where: Base-Base interactions energy: -1410.891 where: short stacking energy: -641.759 Base-Backbone interact. energy: -1.418 local terms energy: -753.196704 where: bonds (distance) C4'-P energy: -145.567 bonds (distance) P-C4' energy: -158.269 flat angles C4'-P-C4' energy: -153.808 flat angles P-C4'-P energy: -112.197 tors. eta vs tors. theta energy: -183.356 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: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1935.794952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.794952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.794952 (E_RNA) where: Base-Base interactions energy: -1270.115 where: short stacking energy: -569.822 Base-Backbone interact. energy: -2.949 local terms energy: -662.730374 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -126.789 flat angles C4'-P-C4' energy: -144.092 flat angles P-C4'-P energy: -105.602 tors. eta vs tors. theta energy: -150.182 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: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1734.763627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.763627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.763627 (E_RNA) where: Base-Base interactions energy: -1070.425 where: short stacking energy: -511.181 Base-Backbone interact. energy: -0.227 local terms energy: -664.112039 where: bonds (distance) C4'-P energy: -139.031 bonds (distance) P-C4' energy: -139.833 flat angles C4'-P-C4' energy: -139.106 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -152.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1635.062698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.062698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.062698 (E_RNA) where: Base-Base interactions energy: -1045.131 where: short stacking energy: -442.651 Base-Backbone interact. energy: 5.167 local terms energy: -595.098812 where: bonds (distance) C4'-P energy: -123.621 bonds (distance) P-C4' energy: -140.199 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -80.905 tors. eta vs tors. theta energy: -112.601 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1343.031713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.031713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.031713 (E_RNA) where: Base-Base interactions energy: -842.698 where: short stacking energy: -368.641 Base-Backbone interact. energy: 1.533 local terms energy: -501.867053 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -123.694 flat angles C4'-P-C4' energy: -120.543 flat angles P-C4'-P energy: -87.156 tors. eta vs tors. theta energy: -47.465 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: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -976.724626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.724626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.724626 (E_RNA) where: Base-Base interactions energy: -512.429 where: short stacking energy: -273.325 Base-Backbone interact. energy: 1.790 local terms energy: -466.085410 where: bonds (distance) C4'-P energy: -122.568 bonds (distance) P-C4' energy: -141.588 flat angles C4'-P-C4' energy: -116.877 flat angles P-C4'-P energy: -73.747 tors. eta vs tors. theta energy: -11.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -785.868505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.868505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.868505 (E_RNA) where: Base-Base interactions energy: -382.744 where: short stacking energy: -239.783 Base-Backbone interact. energy: 1.221 local terms energy: -404.346137 where: bonds (distance) C4'-P energy: -112.516 bonds (distance) P-C4' energy: -130.880 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -69.775 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -558.005492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.005492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.005492 (E_RNA) where: Base-Base interactions energy: -179.971 where: short stacking energy: -145.833 Base-Backbone interact. energy: -3.631 local terms energy: -374.403888 where: bonds (distance) C4'-P energy: -126.724 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -108.832 flat angles P-C4'-P energy: -54.796 tors. eta vs tors. theta energy: 42.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2375.240561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.240561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.240561 (E_RNA) where: Base-Base interactions energy: -1561.627 where: short stacking energy: -686.531 Base-Backbone interact. energy: -4.895 local terms energy: -808.718505 where: bonds (distance) C4'-P energy: -160.361 bonds (distance) P-C4' energy: -136.600 flat angles C4'-P-C4' energy: -174.042 flat angles P-C4'-P energy: -119.287 tors. eta vs tors. theta energy: -218.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2345.010806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.010806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.010806 (E_RNA) where: Base-Base interactions energy: -1563.702 where: short stacking energy: -696.972 Base-Backbone interact. energy: -3.296 local terms energy: -778.012704 where: bonds (distance) C4'-P energy: -141.821 bonds (distance) P-C4' energy: -161.138 flat angles C4'-P-C4' energy: -153.247 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -214.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2116.066264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.066264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.066264 (E_RNA) where: Base-Base interactions energy: -1404.199 where: short stacking energy: -616.993 Base-Backbone interact. energy: -4.869 local terms energy: -706.998477 where: bonds (distance) C4'-P energy: -150.996 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -151.774 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -171.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1961.800640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.800640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.800640 (E_RNA) where: Base-Base interactions energy: -1261.755 where: short stacking energy: -564.282 Base-Backbone interact. energy: -0.782 local terms energy: -699.263504 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -139.519 flat angles C4'-P-C4' energy: -156.552 flat angles P-C4'-P energy: -108.402 tors. eta vs tors. theta energy: -156.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1707.509345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.509345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.509345 (E_RNA) where: Base-Base interactions energy: -1064.950 where: short stacking energy: -506.882 Base-Backbone interact. energy: 3.823 local terms energy: -646.382550 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -140.722 flat angles C4'-P-C4' energy: -136.757 flat angles P-C4'-P energy: -118.091 tors. eta vs tors. theta energy: -127.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1671.722444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.722444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.722444 (E_RNA) where: Base-Base interactions energy: -1080.701 where: short stacking energy: -490.724 Base-Backbone interact. energy: 3.716 local terms energy: -594.738053 where: bonds (distance) C4'-P energy: -121.883 bonds (distance) P-C4' energy: -134.390 flat angles C4'-P-C4' energy: -121.784 flat angles P-C4'-P energy: -84.263 tors. eta vs tors. theta energy: -132.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1324.058747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.058747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.058747 (E_RNA) where: Base-Base interactions energy: -835.279 where: short stacking energy: -368.082 Base-Backbone interact. energy: -1.075 local terms energy: -487.704744 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -114.829 flat angles C4'-P-C4' energy: -121.583 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -62.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1070.604586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.604586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.604586 (E_RNA) where: Base-Base interactions energy: -573.717 where: short stacking energy: -295.699 Base-Backbone interact. energy: 1.647 local terms energy: -498.534583 where: bonds (distance) C4'-P energy: -140.670 bonds (distance) P-C4' energy: -144.676 flat angles C4'-P-C4' energy: -109.487 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -34.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -692.372048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.372048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.372048 (E_RNA) where: Base-Base interactions energy: -248.790 where: short stacking energy: -154.775 Base-Backbone interact. energy: -4.757 local terms energy: -438.825419 where: bonds (distance) C4'-P energy: -130.552 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -112.958 flat angles P-C4'-P energy: -66.857 tors. eta vs tors. theta energy: 16.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -548.114618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.114618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.114618 (E_RNA) where: Base-Base interactions energy: -176.881 where: short stacking energy: -117.838 Base-Backbone interact. energy: 3.635 local terms energy: -374.868502 where: bonds (distance) C4'-P energy: -109.458 bonds (distance) P-C4' energy: -114.372 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -75.399 tors. eta vs tors. theta energy: 40.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2375.104603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.104603 (E_RNA) where: Base-Base interactions energy: -1578.219 where: short stacking energy: -680.030 Base-Backbone interact. energy: -3.564 local terms energy: -793.321664 where: bonds (distance) C4'-P energy: -155.478 bonds (distance) P-C4' energy: -151.618 flat angles C4'-P-C4' energy: -168.143 flat angles P-C4'-P energy: -115.752 tors. eta vs tors. theta energy: -202.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2295.463086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.463086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.463086 (E_RNA) where: Base-Base interactions energy: -1521.853 where: short stacking energy: -663.769 Base-Backbone interact. energy: -4.887 local terms energy: -768.723069 where: bonds (distance) C4'-P energy: -150.834 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -160.883 flat angles P-C4'-P energy: -103.821 tors. eta vs tors. theta energy: -196.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2130.208240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.208240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.208240 (E_RNA) where: Base-Base interactions energy: -1395.404 where: short stacking energy: -614.020 Base-Backbone interact. energy: -4.502 local terms energy: -730.302196 where: bonds (distance) C4'-P energy: -143.164 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -177.164 flat angles P-C4'-P energy: -107.802 tors. eta vs tors. theta energy: -156.690 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: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1932.496768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.496768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.496768 (E_RNA) where: Base-Base interactions energy: -1262.945 where: short stacking energy: -574.126 Base-Backbone interact. energy: -1.619 local terms energy: -667.932785 where: bonds (distance) C4'-P energy: -146.822 bonds (distance) P-C4' energy: -142.660 flat angles C4'-P-C4' energy: -139.349 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -150.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1748.473703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.473703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.473703 (E_RNA) where: Base-Base interactions energy: -1094.760 where: short stacking energy: -531.355 Base-Backbone interact. energy: -2.004 local terms energy: -651.709890 where: bonds (distance) C4'-P energy: -123.338 bonds (distance) P-C4' energy: -140.873 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -144.166 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: 64 Temperature: 1.150000 Total energy: -1641.057357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.057357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.057357 (E_RNA) where: Base-Base interactions energy: -1027.356 where: short stacking energy: -504.367 Base-Backbone interact. energy: -1.275 local terms energy: -612.426330 where: bonds (distance) C4'-P energy: -137.784 bonds (distance) P-C4' energy: -136.465 flat angles C4'-P-C4' energy: -133.023 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -119.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1328.025767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.025767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.025767 (E_RNA) where: Base-Base interactions energy: -792.715 where: short stacking energy: -372.604 Base-Backbone interact. energy: 0.160 local terms energy: -535.470369 where: bonds (distance) C4'-P energy: -118.235 bonds (distance) P-C4' energy: -144.274 flat angles C4'-P-C4' energy: -129.418 flat angles P-C4'-P energy: -92.278 tors. eta vs tors. theta energy: -51.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1054.268787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.268787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.268787 (E_RNA) where: Base-Base interactions energy: -581.941 where: short stacking energy: -293.983 Base-Backbone interact. energy: -4.742 local terms energy: -467.585363 where: bonds (distance) C4'-P energy: -118.923 bonds (distance) P-C4' energy: -126.241 flat angles C4'-P-C4' energy: -136.316 flat angles P-C4'-P energy: -57.293 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -716.949306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.949306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.949306 (E_RNA) where: Base-Base interactions energy: -324.571 where: short stacking energy: -201.834 Base-Backbone interact. energy: -0.183 local terms energy: -392.195111 where: bonds (distance) C4'-P energy: -113.031 bonds (distance) P-C4' energy: -118.560 flat angles C4'-P-C4' energy: -109.723 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: 5.975 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: 64 Temperature: 1.350000 Total energy: -560.083763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.083763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.083763 (E_RNA) where: Base-Base interactions energy: -197.512 where: short stacking energy: -165.544 Base-Backbone interact. energy: -2.946 local terms energy: -359.625713 where: bonds (distance) C4'-P energy: -96.908 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -101.966 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: 20.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2362.529742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.529742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.529742 (E_RNA) where: Base-Base interactions energy: -1557.178 where: short stacking energy: -676.111 Base-Backbone interact. energy: -1.943 local terms energy: -803.408385 where: bonds (distance) C4'-P energy: -152.501 bonds (distance) P-C4' energy: -151.699 flat angles C4'-P-C4' energy: -174.481 flat angles P-C4'-P energy: -118.130 tors. eta vs tors. theta energy: -206.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2384.395050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.395050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.395050 (E_RNA) where: Base-Base interactions energy: -1585.758 where: short stacking energy: -692.749 Base-Backbone interact. energy: -4.307 local terms energy: -794.330217 where: bonds (distance) C4'-P energy: -148.382 bonds (distance) P-C4' energy: -152.049 flat angles C4'-P-C4' energy: -174.255 flat angles P-C4'-P energy: -110.502 tors. eta vs tors. theta energy: -209.142 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: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2208.937453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.937453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.937453 (E_RNA) where: Base-Base interactions energy: -1465.288 where: short stacking energy: -636.248 Base-Backbone interact. energy: -3.231 local terms energy: -740.418360 where: bonds (distance) C4'-P energy: -141.489 bonds (distance) P-C4' energy: -146.133 flat angles C4'-P-C4' energy: -160.378 flat angles P-C4'-P energy: -103.650 tors. eta vs tors. theta energy: -188.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1956.594807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.594807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.594807 (E_RNA) where: Base-Base interactions energy: -1278.264 where: short stacking energy: -547.702 Base-Backbone interact. energy: -2.650 local terms energy: -675.680593 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -145.293 flat angles C4'-P-C4' energy: -139.726 flat angles P-C4'-P energy: -104.112 tors. eta vs tors. theta energy: -146.670 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: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1704.018821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.018821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.018821 (E_RNA) where: Base-Base interactions energy: -1070.585 where: short stacking energy: -522.130 Base-Backbone interact. energy: 3.203 local terms energy: -636.636580 where: bonds (distance) C4'-P energy: -118.049 bonds (distance) P-C4' energy: -135.027 flat angles C4'-P-C4' energy: -152.371 flat angles P-C4'-P energy: -105.888 tors. eta vs tors. theta energy: -125.300 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: 65 Temperature: 1.150000 Total energy: -1616.406440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.406440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.406440 (E_RNA) where: Base-Base interactions energy: -994.801 where: short stacking energy: -451.411 Base-Backbone interact. energy: -1.425 local terms energy: -620.180111 where: bonds (distance) C4'-P energy: -123.413 bonds (distance) P-C4' energy: -132.615 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -117.657 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: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1397.659679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.659679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.659679 (E_RNA) where: Base-Base interactions energy: -859.745 where: short stacking energy: -406.690 Base-Backbone interact. energy: -3.370 local terms energy: -534.545146 where: bonds (distance) C4'-P energy: -116.535 bonds (distance) P-C4' energy: -133.027 flat angles C4'-P-C4' energy: -134.066 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -76.405 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: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1078.184184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.184184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.184184 (E_RNA) where: Base-Base interactions energy: -566.101 where: short stacking energy: -299.098 Base-Backbone interact. energy: 3.684 local terms energy: -515.766722 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -143.258 flat angles C4'-P-C4' energy: -133.073 flat angles P-C4'-P energy: -83.429 tors. eta vs tors. theta energy: -23.442 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: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -673.152839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.152839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.152839 (E_RNA) where: Base-Base interactions energy: -277.603 where: short stacking energy: -182.547 Base-Backbone interact. energy: 1.426 local terms energy: -396.975671 where: bonds (distance) C4'-P energy: -110.627 bonds (distance) P-C4' energy: -120.923 flat angles C4'-P-C4' energy: -104.580 flat angles P-C4'-P energy: -65.661 tors. eta vs tors. theta energy: 4.816 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: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -567.966779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.966779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.966779 (E_RNA) where: Base-Base interactions energy: -200.764 where: short stacking energy: -169.087 Base-Backbone interact. energy: 1.642 local terms energy: -368.844256 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -128.529 flat angles C4'-P-C4' energy: -99.968 flat angles P-C4'-P energy: -51.354 tors. eta vs tors. theta energy: 28.008 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: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2375.432783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.432783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.432783 (E_RNA) where: Base-Base interactions energy: -1568.139 where: short stacking energy: -727.395 Base-Backbone interact. energy: -4.121 local terms energy: -803.173143 where: bonds (distance) C4'-P energy: -154.378 bonds (distance) P-C4' energy: -148.681 flat angles C4'-P-C4' energy: -172.091 flat angles P-C4'-P energy: -118.368 tors. eta vs tors. theta energy: -209.654 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2356.388667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.388667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.388667 (E_RNA) where: Base-Base interactions energy: -1581.607 where: short stacking energy: -663.071 Base-Backbone interact. energy: -6.333 local terms energy: -768.448162 where: bonds (distance) C4'-P energy: -150.835 bonds (distance) P-C4' energy: -143.875 flat angles C4'-P-C4' energy: -144.527 flat angles P-C4'-P energy: -127.434 tors. eta vs tors. theta energy: -201.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2172.132105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.132105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.132105 (E_RNA) where: Base-Base interactions energy: -1424.836 where: short stacking energy: -634.697 Base-Backbone interact. energy: -4.201 local terms energy: -743.095209 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -146.468 flat angles C4'-P-C4' energy: -164.446 flat angles P-C4'-P energy: -113.616 tors. eta vs tors. theta energy: -172.840 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: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1982.309815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.309815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.309815 (E_RNA) where: Base-Base interactions energy: -1323.897 where: short stacking energy: -561.913 Base-Backbone interact. energy: -6.673 local terms energy: -651.739352 where: bonds (distance) C4'-P energy: -149.762 bonds (distance) P-C4' energy: -146.500 flat angles C4'-P-C4' energy: -133.109 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -148.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1709.242137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.242137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.242137 (E_RNA) where: Base-Base interactions energy: -1079.289 where: short stacking energy: -535.634 Base-Backbone interact. energy: 2.062 local terms energy: -632.015571 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -125.703 flat angles C4'-P-C4' energy: -143.859 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -151.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1658.605016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.605016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.605016 (E_RNA) where: Base-Base interactions energy: -1058.256 where: short stacking energy: -483.445 Base-Backbone interact. energy: -2.740 local terms energy: -597.609617 where: bonds (distance) C4'-P energy: -134.031 bonds (distance) P-C4' energy: -127.611 flat angles C4'-P-C4' energy: -136.374 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -117.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1371.650342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.650342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.650342 (E_RNA) where: Base-Base interactions energy: -826.011 where: short stacking energy: -377.202 Base-Backbone interact. energy: 0.698 local terms energy: -546.337022 where: bonds (distance) C4'-P energy: -132.853 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -130.406 flat angles P-C4'-P energy: -80.990 tors. eta vs tors. theta energy: -70.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1043.787129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.787129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.787129 (E_RNA) where: Base-Base interactions energy: -568.399 where: short stacking energy: -286.119 Base-Backbone interact. energy: 1.357 local terms energy: -476.745783 where: bonds (distance) C4'-P energy: -125.008 bonds (distance) P-C4' energy: -120.983 flat angles C4'-P-C4' energy: -132.025 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: -24.044 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: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -659.345836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.345836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.345836 (E_RNA) where: Base-Base interactions energy: -238.073 where: short stacking energy: -176.364 Base-Backbone interact. energy: -0.026 local terms energy: -421.246400 where: bonds (distance) C4'-P energy: -124.147 bonds (distance) P-C4' energy: -150.214 flat angles C4'-P-C4' energy: -112.248 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: 27.395 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: 66 Temperature: 1.350000 Total energy: -591.267813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.267813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.267813 (E_RNA) where: Base-Base interactions energy: -210.021 where: short stacking energy: -144.135 Base-Backbone interact. energy: 1.024 local terms energy: -382.270878 where: bonds (distance) C4'-P energy: -104.568 bonds (distance) P-C4' energy: -122.905 flat angles C4'-P-C4' energy: -120.377 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: 23.842 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: 67 Temperature: 0.900000 Total energy: -2387.351167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.351167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.351167 (E_RNA) where: Base-Base interactions energy: -1578.418 where: short stacking energy: -714.218 Base-Backbone interact. energy: -2.247 local terms energy: -806.686089 where: bonds (distance) C4'-P energy: -152.532 bonds (distance) P-C4' energy: -147.413 flat angles C4'-P-C4' energy: -173.671 flat angles P-C4'-P energy: -117.876 tors. eta vs tors. theta energy: -215.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2376.985306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.985306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.985306 (E_RNA) where: Base-Base interactions energy: -1586.340 where: short stacking energy: -701.158 Base-Backbone interact. energy: -4.083 local terms energy: -786.562585 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -143.861 flat angles C4'-P-C4' energy: -170.454 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -215.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2163.467017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.467017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.467017 (E_RNA) where: Base-Base interactions energy: -1460.635 where: short stacking energy: -640.894 Base-Backbone interact. energy: -2.263 local terms energy: -700.569072 where: bonds (distance) C4'-P energy: -138.516 bonds (distance) P-C4' energy: -121.280 flat angles C4'-P-C4' energy: -156.001 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -184.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2016.160886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.160886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.160886 (E_RNA) where: Base-Base interactions energy: -1341.829 where: short stacking energy: -590.181 Base-Backbone interact. energy: -2.048 local terms energy: -672.283094 where: bonds (distance) C4'-P energy: -129.708 bonds (distance) P-C4' energy: -137.937 flat angles C4'-P-C4' energy: -154.795 flat angles P-C4'-P energy: -83.187 tors. eta vs tors. theta energy: -166.656 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: 67 Temperature: 1.100000 Total energy: -1674.023232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.023232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.023232 (E_RNA) where: Base-Base interactions energy: -1026.053 where: short stacking energy: -477.433 Base-Backbone interact. energy: -5.211 local terms energy: -642.758917 where: bonds (distance) C4'-P energy: -143.216 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -95.920 tors. eta vs tors. theta energy: -114.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1620.554241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.554241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.554241 (E_RNA) where: Base-Base interactions energy: -1032.307 where: short stacking energy: -437.143 Base-Backbone interact. energy: -1.374 local terms energy: -586.872940 where: bonds (distance) C4'-P energy: -118.065 bonds (distance) P-C4' energy: -143.715 flat angles C4'-P-C4' energy: -137.565 flat angles P-C4'-P energy: -82.226 tors. eta vs tors. theta energy: -105.303 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1361.524320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.524320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.524320 (E_RNA) where: Base-Base interactions energy: -841.683 where: short stacking energy: -375.167 Base-Backbone interact. energy: -2.079 local terms energy: -517.762233 where: bonds (distance) C4'-P energy: -116.788 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -71.157 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: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1079.731083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.731083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.731083 (E_RNA) where: Base-Base interactions energy: -603.704 where: short stacking energy: -280.909 Base-Backbone interact. energy: 2.007 local terms energy: -478.033355 where: bonds (distance) C4'-P energy: -132.735 bonds (distance) P-C4' energy: -127.153 flat angles C4'-P-C4' energy: -114.971 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: -40.943 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: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -675.124200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.124200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.124200 (E_RNA) where: Base-Base interactions energy: -288.096 where: short stacking energy: -183.265 Base-Backbone interact. energy: 1.404 local terms energy: -388.431792 where: bonds (distance) C4'-P energy: -119.532 bonds (distance) P-C4' energy: -124.761 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: 16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -543.314919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.314919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.314919 (E_RNA) where: Base-Base interactions energy: -171.196 where: short stacking energy: -141.958 Base-Backbone interact. energy: 4.643 local terms energy: -376.761728 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -134.271 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: 24.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2418.677935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.677935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.677935 (E_RNA) where: Base-Base interactions energy: -1641.650 where: short stacking energy: -724.355 Base-Backbone interact. energy: -3.909 local terms energy: -773.119195 where: bonds (distance) C4'-P energy: -140.224 bonds (distance) P-C4' energy: -151.608 flat angles C4'-P-C4' energy: -175.336 flat angles P-C4'-P energy: -100.432 tors. eta vs tors. theta energy: -205.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2343.467600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.467600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.467600 (E_RNA) where: Base-Base interactions energy: -1557.118 where: short stacking energy: -695.845 Base-Backbone interact. energy: -3.774 local terms energy: -782.575349 where: bonds (distance) C4'-P energy: -144.100 bonds (distance) P-C4' energy: -155.529 flat angles C4'-P-C4' energy: -164.335 flat angles P-C4'-P energy: -117.836 tors. eta vs tors. theta energy: -200.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2211.318380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.318380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.318380 (E_RNA) where: Base-Base interactions energy: -1497.530 where: short stacking energy: -684.421 Base-Backbone interact. energy: -1.270 local terms energy: -712.518882 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -153.413 flat angles P-C4'-P energy: -116.488 tors. eta vs tors. theta energy: -186.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1971.603883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.603883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.603883 (E_RNA) where: Base-Base interactions energy: -1290.939 where: short stacking energy: -561.507 Base-Backbone interact. energy: -0.048 local terms energy: -680.616529 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -141.152 flat angles C4'-P-C4' energy: -155.638 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -149.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1752.942609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.942609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.942609 (E_RNA) where: Base-Base interactions energy: -1084.483 where: short stacking energy: -527.406 Base-Backbone interact. energy: 1.591 local terms energy: -670.050370 where: bonds (distance) C4'-P energy: -137.769 bonds (distance) P-C4' energy: -143.888 flat angles C4'-P-C4' energy: -144.499 flat angles P-C4'-P energy: -91.635 tors. eta vs tors. theta energy: -152.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1595.971993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.971993 (E_RNA) where: Base-Base interactions energy: -980.492 where: short stacking energy: -472.525 Base-Backbone interact. energy: -1.597 local terms energy: -613.882324 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -147.747 flat angles P-C4'-P energy: -81.287 tors. eta vs tors. theta energy: -113.284 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: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1329.966950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.966950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.966950 (E_RNA) where: Base-Base interactions energy: -822.228 where: short stacking energy: -384.413 Base-Backbone interact. energy: 1.566 local terms energy: -509.304476 where: bonds (distance) C4'-P energy: -115.573 bonds (distance) P-C4' energy: -124.827 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -74.292 tors. eta vs tors. theta energy: -70.699 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1139.065678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.065678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.065678 (E_RNA) where: Base-Base interactions energy: -674.914 where: short stacking energy: -323.219 Base-Backbone interact. energy: -4.267 local terms energy: -459.884338 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -121.407 flat angles C4'-P-C4' energy: -119.460 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -30.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -639.117940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.117940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.117940 (E_RNA) where: Base-Base interactions energy: -227.233 where: short stacking energy: -183.001 Base-Backbone interact. energy: 6.056 local terms energy: -417.940668 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -123.351 flat angles C4'-P-C4' energy: -125.717 flat angles P-C4'-P energy: -58.857 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: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -556.819411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.819411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.819411 (E_RNA) where: Base-Base interactions energy: -194.129 where: short stacking energy: -146.813 Base-Backbone interact. energy: -2.834 local terms energy: -359.856634 where: bonds (distance) C4'-P energy: -127.665 bonds (distance) P-C4' energy: -122.905 flat angles C4'-P-C4' energy: -94.131 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: 39.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2400.667865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.667865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.667865 (E_RNA) where: Base-Base interactions energy: -1642.268 where: short stacking energy: -691.091 Base-Backbone interact. energy: -3.366 local terms energy: -755.034278 where: bonds (distance) C4'-P energy: -133.780 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -163.052 flat angles P-C4'-P energy: -103.121 tors. eta vs tors. theta energy: -201.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2335.363549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.363549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.363549 (E_RNA) where: Base-Base interactions energy: -1568.448 where: short stacking energy: -667.112 Base-Backbone interact. energy: -3.074 local terms energy: -763.841438 where: bonds (distance) C4'-P energy: -145.984 bonds (distance) P-C4' energy: -143.960 flat angles C4'-P-C4' energy: -164.437 flat angles P-C4'-P energy: -106.112 tors. eta vs tors. theta energy: -203.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2173.611567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.611567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.611567 (E_RNA) where: Base-Base interactions energy: -1452.994 where: short stacking energy: -634.280 Base-Backbone interact. energy: -1.372 local terms energy: -719.244956 where: bonds (distance) C4'-P energy: -139.338 bonds (distance) P-C4' energy: -143.965 flat angles C4'-P-C4' energy: -153.784 flat angles P-C4'-P energy: -89.980 tors. eta vs tors. theta energy: -192.178 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: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1981.661273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.661273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.661273 (E_RNA) where: Base-Base interactions energy: -1285.807 where: short stacking energy: -552.600 Base-Backbone interact. energy: -4.478 local terms energy: -691.376452 where: bonds (distance) C4'-P energy: -141.247 bonds (distance) P-C4' energy: -142.086 flat angles C4'-P-C4' energy: -161.603 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -142.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1789.972250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.972250 (E_RNA) where: Base-Base interactions energy: -1131.793 where: short stacking energy: -543.501 Base-Backbone interact. energy: -5.149 local terms energy: -653.030566 where: bonds (distance) C4'-P energy: -146.459 bonds (distance) P-C4' energy: -140.590 flat angles C4'-P-C4' energy: -134.681 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -138.325 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: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1566.564298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.564298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.564298 (E_RNA) where: Base-Base interactions energy: -985.222 where: short stacking energy: -465.850 Base-Backbone interact. energy: 1.267 local terms energy: -582.609579 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -135.841 flat angles C4'-P-C4' energy: -147.072 flat angles P-C4'-P energy: -71.890 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: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1316.401830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.401830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.401830 (E_RNA) where: Base-Base interactions energy: -809.351 where: short stacking energy: -378.859 Base-Backbone interact. energy: 0.540 local terms energy: -507.590446 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -121.951 flat angles P-C4'-P energy: -77.368 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: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1018.460731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.460731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.460731 (E_RNA) where: Base-Base interactions energy: -574.509 where: short stacking energy: -289.764 Base-Backbone interact. energy: 5.697 local terms energy: -449.648695 where: bonds (distance) C4'-P energy: -105.233 bonds (distance) P-C4' energy: -134.475 flat angles C4'-P-C4' energy: -107.870 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -41.540 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: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -651.970525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.970525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.970525 (E_RNA) where: Base-Base interactions energy: -261.063 where: short stacking energy: -155.475 Base-Backbone interact. energy: 3.292 local terms energy: -394.198781 where: bonds (distance) C4'-P energy: -118.199 bonds (distance) P-C4' energy: -130.295 flat angles C4'-P-C4' energy: -116.064 flat angles P-C4'-P energy: -60.107 tors. eta vs tors. theta energy: 30.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -608.037718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.037718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.037718 (E_RNA) where: Base-Base interactions energy: -228.405 where: short stacking energy: -163.708 Base-Backbone interact. energy: 8.129 local terms energy: -387.761414 where: bonds (distance) C4'-P energy: -114.184 bonds (distance) P-C4' energy: -132.889 flat angles C4'-P-C4' energy: -110.615 flat angles P-C4'-P energy: -53.176 tors. eta vs tors. theta energy: 23.103 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: 1, replica: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2428.313254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.313254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.313254 (E_RNA) where: Base-Base interactions energy: -1631.218 where: short stacking energy: -704.150 Base-Backbone interact. energy: -0.861 local terms energy: -796.233605 where: bonds (distance) C4'-P energy: -143.259 bonds (distance) P-C4' energy: -156.002 flat angles C4'-P-C4' energy: -172.007 flat angles P-C4'-P energy: -114.773 tors. eta vs tors. theta energy: -210.193 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: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2368.106433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.106433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.106433 (E_RNA) where: Base-Base interactions energy: -1600.003 where: short stacking energy: -692.150 Base-Backbone interact. energy: 3.502 local terms energy: -771.604506 where: bonds (distance) C4'-P energy: -154.827 bonds (distance) P-C4' energy: -141.877 flat angles C4'-P-C4' energy: -155.249 flat angles P-C4'-P energy: -118.880 tors. eta vs tors. theta energy: -200.771 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: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2212.889407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.889407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.889407 (E_RNA) where: Base-Base interactions energy: -1495.417 where: short stacking energy: -629.817 Base-Backbone interact. energy: -0.210 local terms energy: -717.262840 where: bonds (distance) C4'-P energy: -152.176 bonds (distance) P-C4' energy: -144.127 flat angles C4'-P-C4' energy: -155.153 flat angles P-C4'-P energy: -80.979 tors. eta vs tors. theta energy: -184.826 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1970.485633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.485633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.485633 (E_RNA) where: Base-Base interactions energy: -1297.052 where: short stacking energy: -544.930 Base-Backbone interact. energy: -3.280 local terms energy: -670.153751 where: bonds (distance) C4'-P energy: -146.335 bonds (distance) P-C4' energy: -133.736 flat angles C4'-P-C4' energy: -149.928 flat angles P-C4'-P energy: -106.613 tors. eta vs tors. theta energy: -133.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1754.132928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.132928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.132928 (E_RNA) where: Base-Base interactions energy: -1121.464 where: short stacking energy: -525.597 Base-Backbone interact. energy: -0.237 local terms energy: -632.431235 where: bonds (distance) C4'-P energy: -132.018 bonds (distance) P-C4' energy: -121.908 flat angles C4'-P-C4' energy: -147.394 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -151.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1771.941761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.941761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.941761 (E_RNA) where: Base-Base interactions energy: -1141.267 where: short stacking energy: -509.113 Base-Backbone interact. energy: -2.070 local terms energy: -628.603852 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -142.718 flat angles C4'-P-C4' energy: -153.641 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: -134.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1357.055290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.055290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.055290 (E_RNA) where: Base-Base interactions energy: -824.000 where: short stacking energy: -389.194 Base-Backbone interact. energy: -2.960 local terms energy: -530.095388 where: bonds (distance) C4'-P energy: -104.776 bonds (distance) P-C4' energy: -147.097 flat angles C4'-P-C4' energy: -129.092 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: -71.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -999.874566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.874566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.874566 (E_RNA) where: Base-Base interactions energy: -531.605 where: short stacking energy: -285.382 Base-Backbone interact. energy: 1.640 local terms energy: -469.909688 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -118.502 flat angles P-C4'-P energy: -71.960 tors. eta vs tors. theta energy: -41.009 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: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -698.499605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.499605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.499605 (E_RNA) where: Base-Base interactions energy: -303.118 where: short stacking energy: -167.367 Base-Backbone interact. energy: -4.987 local terms energy: -390.394104 where: bonds (distance) C4'-P energy: -118.108 bonds (distance) P-C4' energy: -135.644 flat angles C4'-P-C4' energy: -92.626 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: 17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -723.886097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.886097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.886097 (E_RNA) where: Base-Base interactions energy: -324.572 where: short stacking energy: -182.217 Base-Backbone interact. energy: -0.155 local terms energy: -399.159400 where: bonds (distance) C4'-P energy: -120.919 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -107.676 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: 17.637 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: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2461.223751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.223751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.223751 (E_RNA) where: Base-Base interactions energy: -1678.176 where: short stacking energy: -694.474 Base-Backbone interact. energy: -2.267 local terms energy: -780.781002 where: bonds (distance) C4'-P energy: -157.303 bonds (distance) P-C4' energy: -158.658 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -111.064 tors. eta vs tors. theta energy: -194.137 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: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2284.899795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.899795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.899795 (E_RNA) where: Base-Base interactions energy: -1525.333 where: short stacking energy: -673.872 Base-Backbone interact. energy: -2.875 local terms energy: -756.692114 where: bonds (distance) C4'-P energy: -147.050 bonds (distance) P-C4' energy: -143.955 flat angles C4'-P-C4' energy: -156.467 flat angles P-C4'-P energy: -118.006 tors. eta vs tors. theta energy: -191.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2241.784437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.784437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.784437 (E_RNA) where: Base-Base interactions energy: -1496.193 where: short stacking energy: -654.209 Base-Backbone interact. energy: 1.231 local terms energy: -746.821847 where: bonds (distance) C4'-P energy: -137.079 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -156.446 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -196.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2025.632721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.632721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.632721 (E_RNA) where: Base-Base interactions energy: -1364.434 where: short stacking energy: -565.932 Base-Backbone interact. energy: -2.443 local terms energy: -658.755339 where: bonds (distance) C4'-P energy: -121.024 bonds (distance) P-C4' energy: -128.414 flat angles C4'-P-C4' energy: -154.334 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -149.946 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: 71 Temperature: 1.100000 Total energy: -1786.380247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.380247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.380247 (E_RNA) where: Base-Base interactions energy: -1127.644 where: short stacking energy: -529.824 Base-Backbone interact. energy: -3.119 local terms energy: -655.617128 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -94.213 tors. eta vs tors. theta energy: -156.691 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: 71 Temperature: 1.150000 Total energy: -1849.491901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.491901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.491901 (E_RNA) where: Base-Base interactions energy: -1222.645 where: short stacking energy: -525.787 Base-Backbone interact. energy: -0.575 local terms energy: -626.271618 where: bonds (distance) C4'-P energy: -142.513 bonds (distance) P-C4' energy: -139.750 flat angles C4'-P-C4' energy: -118.125 flat angles P-C4'-P energy: -81.483 tors. eta vs tors. theta energy: -144.400 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: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1307.786991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.786991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.786991 (E_RNA) where: Base-Base interactions energy: -797.659 where: short stacking energy: -368.266 Base-Backbone interact. energy: 0.026 local terms energy: -510.153692 where: bonds (distance) C4'-P energy: -147.696 bonds (distance) P-C4' energy: -114.996 flat angles C4'-P-C4' energy: -122.158 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -55.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1006.355166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.355166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.355166 (E_RNA) where: Base-Base interactions energy: -557.048 where: short stacking energy: -263.658 Base-Backbone interact. energy: -0.533 local terms energy: -448.773561 where: bonds (distance) C4'-P energy: -128.905 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -97.713 flat angles P-C4'-P energy: -80.007 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -638.623535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.623535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.623535 (E_RNA) where: Base-Base interactions energy: -228.636 where: short stacking energy: -152.911 Base-Backbone interact. energy: 3.209 local terms energy: -413.196348 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -135.972 flat angles C4'-P-C4' energy: -108.119 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: 14.707 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: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -613.843230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.843230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.843230 (E_RNA) where: Base-Base interactions energy: -244.795 where: short stacking energy: -151.674 Base-Backbone interact. energy: 4.441 local terms energy: -373.488890 where: bonds (distance) C4'-P energy: -126.725 bonds (distance) P-C4' energy: -133.387 flat angles C4'-P-C4' energy: -100.518 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: 24.097 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: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2495.410156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.410156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.410156 (E_RNA) where: Base-Base interactions energy: -1699.917 where: short stacking energy: -700.150 Base-Backbone interact. energy: -3.819 local terms energy: -791.674691 where: bonds (distance) C4'-P energy: -133.066 bonds (distance) P-C4' energy: -160.533 flat angles C4'-P-C4' energy: -173.150 flat angles P-C4'-P energy: -108.515 tors. eta vs tors. theta energy: -216.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2345.800972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.800972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.800972 (E_RNA) where: Base-Base interactions energy: -1571.954 where: short stacking energy: -705.702 Base-Backbone interact. energy: -2.879 local terms energy: -770.967995 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -146.907 flat angles C4'-P-C4' energy: -179.590 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -197.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2238.782542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.782542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.782542 (E_RNA) where: Base-Base interactions energy: -1488.283 where: short stacking energy: -658.542 Base-Backbone interact. energy: -2.808 local terms energy: -747.690823 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -160.439 flat angles P-C4'-P energy: -109.637 tors. eta vs tors. theta energy: -183.442 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: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2055.196915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.196915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.196915 (E_RNA) where: Base-Base interactions energy: -1365.832 where: short stacking energy: -596.482 Base-Backbone interact. energy: -0.229 local terms energy: -689.135768 where: bonds (distance) C4'-P energy: -143.026 bonds (distance) P-C4' energy: -117.443 flat angles C4'-P-C4' energy: -169.542 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -170.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1899.085389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.085389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.085389 (E_RNA) where: Base-Base interactions energy: -1228.983 where: short stacking energy: -556.375 Base-Backbone interact. energy: -1.897 local terms energy: -668.205856 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -156.467 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -142.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1740.121131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.121131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.121131 (E_RNA) where: Base-Base interactions energy: -1093.183 where: short stacking energy: -503.312 Base-Backbone interact. energy: -2.735 local terms energy: -644.203125 where: bonds (distance) C4'-P energy: -127.624 bonds (distance) P-C4' energy: -139.607 flat angles C4'-P-C4' energy: -149.845 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -141.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1290.969090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.969090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.969090 (E_RNA) where: Base-Base interactions energy: -755.274 where: short stacking energy: -348.547 Base-Backbone interact. energy: -0.450 local terms energy: -535.244872 where: bonds (distance) C4'-P energy: -136.721 bonds (distance) P-C4' energy: -136.955 flat angles C4'-P-C4' energy: -126.587 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: -67.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -947.154519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.154519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.154519 (E_RNA) where: Base-Base interactions energy: -502.600 where: short stacking energy: -276.213 Base-Backbone interact. energy: 0.144 local terms energy: -444.699035 where: bonds (distance) C4'-P energy: -97.833 bonds (distance) P-C4' energy: -116.275 flat angles C4'-P-C4' energy: -134.212 flat angles P-C4'-P energy: -67.673 tors. eta vs tors. theta energy: -28.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -709.378593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.378593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.378593 (E_RNA) where: Base-Base interactions energy: -280.286 where: short stacking energy: -194.314 Base-Backbone interact. energy: -0.530 local terms energy: -428.562877 where: bonds (distance) C4'-P energy: -133.138 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -119.141 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: 11.814 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -555.187841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.187841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.187841 (E_RNA) where: Base-Base interactions energy: -230.353 where: short stacking energy: -159.082 Base-Backbone interact. energy: 2.814 local terms energy: -327.649058 where: bonds (distance) C4'-P energy: -92.269 bonds (distance) P-C4' energy: -118.141 flat angles C4'-P-C4' energy: -95.714 flat angles P-C4'-P energy: -48.513 tors. eta vs tors. theta energy: 26.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2490.512398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.512398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.512398 (E_RNA) where: Base-Base interactions energy: -1688.033 where: short stacking energy: -709.127 Base-Backbone interact. energy: -5.787 local terms energy: -796.692287 where: bonds (distance) C4'-P energy: -161.395 bonds (distance) P-C4' energy: -154.168 flat angles C4'-P-C4' energy: -167.111 flat angles P-C4'-P energy: -111.267 tors. eta vs tors. theta energy: -202.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2275.058227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.058227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.058227 (E_RNA) where: Base-Base interactions energy: -1493.840 where: short stacking energy: -678.561 Base-Backbone interact. energy: -2.117 local terms energy: -779.100462 where: bonds (distance) C4'-P energy: -143.824 bonds (distance) P-C4' energy: -168.335 flat angles C4'-P-C4' energy: -168.693 flat angles P-C4'-P energy: -95.397 tors. eta vs tors. theta energy: -202.851 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2244.843327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.843327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.843327 (E_RNA) where: Base-Base interactions energy: -1506.797 where: short stacking energy: -656.898 Base-Backbone interact. energy: -2.272 local terms energy: -735.773887 where: bonds (distance) C4'-P energy: -145.517 bonds (distance) P-C4' energy: -160.111 flat angles C4'-P-C4' energy: -148.241 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -183.903 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: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2021.937680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.937680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.937680 (E_RNA) where: Base-Base interactions energy: -1358.612 where: short stacking energy: -562.791 Base-Backbone interact. energy: -2.201 local terms energy: -661.124919 where: bonds (distance) C4'-P energy: -135.502 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -157.766 flat angles P-C4'-P energy: -98.293 tors. eta vs tors. theta energy: -133.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1942.291702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.291702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.291702 (E_RNA) where: Base-Base interactions energy: -1309.410 where: short stacking energy: -549.464 Base-Backbone interact. energy: -3.523 local terms energy: -629.358679 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -148.856 flat angles C4'-P-C4' energy: -146.988 flat angles P-C4'-P energy: -78.777 tors. eta vs tors. theta energy: -142.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1591.303492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.303492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.303492 (E_RNA) where: Base-Base interactions energy: -993.925 where: short stacking energy: -457.013 Base-Backbone interact. energy: -2.168 local terms energy: -595.210226 where: bonds (distance) C4'-P energy: -142.542 bonds (distance) P-C4' energy: -118.437 flat angles C4'-P-C4' energy: -128.588 flat angles P-C4'-P energy: -96.891 tors. eta vs tors. theta energy: -108.753 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: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1345.970638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.970638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.970638 (E_RNA) where: Base-Base interactions energy: -814.124 where: short stacking energy: -382.279 Base-Backbone interact. energy: -2.651 local terms energy: -529.196179 where: bonds (distance) C4'-P energy: -136.168 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -119.937 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -69.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1030.507202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.507202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.507202 (E_RNA) where: Base-Base interactions energy: -567.016 where: short stacking energy: -288.484 Base-Backbone interact. energy: 3.857 local terms energy: -467.347896 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -134.105 flat angles C4'-P-C4' energy: -123.388 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -29.818 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: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -658.384646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.384646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.384646 (E_RNA) where: Base-Base interactions energy: -248.506 where: short stacking energy: -183.705 Base-Backbone interact. energy: 2.350 local terms energy: -412.228823 where: bonds (distance) C4'-P energy: -116.096 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: 10.593 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -554.978367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.978367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.978367 (E_RNA) where: Base-Base interactions energy: -189.202 where: short stacking energy: -144.902 Base-Backbone interact. energy: -1.508 local terms energy: -364.268579 where: bonds (distance) C4'-P energy: -129.785 bonds (distance) P-C4' energy: -119.909 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: 33.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2476.346503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.346503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.346503 (E_RNA) where: Base-Base interactions energy: -1690.893 where: short stacking energy: -691.854 Base-Backbone interact. energy: 0.756 local terms energy: -786.209337 where: bonds (distance) C4'-P energy: -160.341 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -163.233 flat angles P-C4'-P energy: -114.915 tors. eta vs tors. theta energy: -196.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2246.303021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.303021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.303021 (E_RNA) where: Base-Base interactions energy: -1489.579 where: short stacking energy: -678.260 Base-Backbone interact. energy: 1.996 local terms energy: -758.720618 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -167.919 flat angles P-C4'-P energy: -91.029 tors. eta vs tors. theta energy: -200.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2301.100030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.100030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.100030 (E_RNA) where: Base-Base interactions energy: -1550.607 where: short stacking energy: -673.992 Base-Backbone interact. energy: -2.921 local terms energy: -747.571969 where: bonds (distance) C4'-P energy: -138.183 bonds (distance) P-C4' energy: -146.855 flat angles C4'-P-C4' energy: -142.990 flat angles P-C4'-P energy: -125.435 tors. eta vs tors. theta energy: -194.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2074.190917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.190917 (E_RNA) where: Base-Base interactions energy: -1370.866 where: short stacking energy: -607.988 Base-Backbone interact. energy: -2.194 local terms energy: -701.131540 where: bonds (distance) C4'-P energy: -142.731 bonds (distance) P-C4' energy: -147.609 flat angles C4'-P-C4' energy: -161.352 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -154.492 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: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1920.588601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.588601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.588601 (E_RNA) where: Base-Base interactions energy: -1262.487 where: short stacking energy: -548.207 Base-Backbone interact. energy: 1.760 local terms energy: -659.861149 where: bonds (distance) C4'-P energy: -139.944 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -150.894 flat angles P-C4'-P energy: -91.356 tors. eta vs tors. theta energy: -152.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1611.905689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.905689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.905689 (E_RNA) where: Base-Base interactions energy: -1010.221 where: short stacking energy: -461.774 Base-Backbone interact. energy: -4.548 local terms energy: -597.136723 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -138.474 flat angles C4'-P-C4' energy: -137.355 flat angles P-C4'-P energy: -83.158 tors. eta vs tors. theta energy: -113.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1393.657388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.657388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.657388 (E_RNA) where: Base-Base interactions energy: -847.244 where: short stacking energy: -389.682 Base-Backbone interact. energy: 0.410 local terms energy: -546.824112 where: bonds (distance) C4'-P energy: -139.543 bonds (distance) P-C4' energy: -112.404 flat angles C4'-P-C4' energy: -131.213 flat angles P-C4'-P energy: -84.824 tors. eta vs tors. theta energy: -78.840 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: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1001.733586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.733586 (E_RNA) where: Base-Base interactions energy: -518.124 where: short stacking energy: -281.328 Base-Backbone interact. energy: 0.070 local terms energy: -483.680034 where: bonds (distance) C4'-P energy: -141.787 bonds (distance) P-C4' energy: -131.312 flat angles C4'-P-C4' energy: -101.839 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -31.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -581.686293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.686293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.686293 (E_RNA) where: Base-Base interactions energy: -188.724 where: short stacking energy: -150.731 Base-Backbone interact. energy: -0.521 local terms energy: -392.441087 where: bonds (distance) C4'-P energy: -138.110 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -94.063 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: 31.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -624.386235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.386235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.386235 (E_RNA) where: Base-Base interactions energy: -234.654 where: short stacking energy: -151.944 Base-Backbone interact. energy: -3.568 local terms energy: -386.164198 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -131.669 flat angles C4'-P-C4' energy: -109.307 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: 44.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2491.319755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.319755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.319755 (E_RNA) where: Base-Base interactions energy: -1682.395 where: short stacking energy: -685.714 Base-Backbone interact. energy: -2.051 local terms energy: -806.873882 where: bonds (distance) C4'-P energy: -152.787 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -171.078 flat angles P-C4'-P energy: -124.516 tors. eta vs tors. theta energy: -210.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2330.433445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.433445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.433445 (E_RNA) where: Base-Base interactions energy: -1556.104 where: short stacking energy: -672.870 Base-Backbone interact. energy: -1.686 local terms energy: -772.643698 where: bonds (distance) C4'-P energy: -162.431 bonds (distance) P-C4' energy: -143.376 flat angles C4'-P-C4' energy: -182.852 flat angles P-C4'-P energy: -88.739 tors. eta vs tors. theta energy: -195.246 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: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2184.785297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.785297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.785297 (E_RNA) where: Base-Base interactions energy: -1448.393 where: short stacking energy: -635.508 Base-Backbone interact. energy: 5.088 local terms energy: -741.480567 where: bonds (distance) C4'-P energy: -138.361 bonds (distance) P-C4' energy: -143.199 flat angles C4'-P-C4' energy: -161.382 flat angles P-C4'-P energy: -106.022 tors. eta vs tors. theta energy: -192.517 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: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2104.808501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.808501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.808501 (E_RNA) where: Base-Base interactions energy: -1423.316 where: short stacking energy: -590.916 Base-Backbone interact. energy: 2.369 local terms energy: -683.861327 where: bonds (distance) C4'-P energy: -128.420 bonds (distance) P-C4' energy: -146.717 flat angles C4'-P-C4' energy: -157.439 flat angles P-C4'-P energy: -90.348 tors. eta vs tors. theta energy: -160.937 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: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1891.419540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.419540 (E_RNA) where: Base-Base interactions energy: -1247.467 where: short stacking energy: -535.447 Base-Backbone interact. energy: 0.931 local terms energy: -644.883497 where: bonds (distance) C4'-P energy: -131.687 bonds (distance) P-C4' energy: -136.454 flat angles C4'-P-C4' energy: -156.915 flat angles P-C4'-P energy: -66.700 tors. eta vs tors. theta energy: -153.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1508.247791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.247791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.247791 (E_RNA) where: Base-Base interactions energy: -960.260 where: short stacking energy: -431.888 Base-Backbone interact. energy: -1.211 local terms energy: -546.776837 where: bonds (distance) C4'-P energy: -98.947 bonds (distance) P-C4' energy: -142.623 flat angles C4'-P-C4' energy: -137.896 flat angles P-C4'-P energy: -81.990 tors. eta vs tors. theta energy: -85.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1350.172758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.172758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.172758 (E_RNA) where: Base-Base interactions energy: -786.178 where: short stacking energy: -362.131 Base-Backbone interact. energy: 0.966 local terms energy: -564.961053 where: bonds (distance) C4'-P energy: -132.700 bonds (distance) P-C4' energy: -136.132 flat angles C4'-P-C4' energy: -134.574 flat angles P-C4'-P energy: -89.818 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: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -975.081482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.081482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.081482 (E_RNA) where: Base-Base interactions energy: -511.636 where: short stacking energy: -264.508 Base-Backbone interact. energy: 0.048 local terms energy: -463.492993 where: bonds (distance) C4'-P energy: -122.800 bonds (distance) P-C4' energy: -137.693 flat angles C4'-P-C4' energy: -108.306 flat angles P-C4'-P energy: -75.791 tors. eta vs tors. theta energy: -18.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -667.346210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.346210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.346210 (E_RNA) where: Base-Base interactions energy: -260.730 where: short stacking energy: -170.657 Base-Backbone interact. energy: -0.051 local terms energy: -406.565223 where: bonds (distance) C4'-P energy: -107.425 bonds (distance) P-C4' energy: -127.494 flat angles C4'-P-C4' energy: -107.388 flat angles P-C4'-P energy: -83.413 tors. eta vs tors. theta energy: 19.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -609.133449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.133449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.133449 (E_RNA) where: Base-Base interactions energy: -210.014 where: short stacking energy: -159.422 Base-Backbone interact. energy: 7.057 local terms energy: -406.176269 where: bonds (distance) C4'-P energy: -123.017 bonds (distance) P-C4' energy: -129.859 flat angles C4'-P-C4' energy: -107.017 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: 14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2428.570297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.570297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.570297 (E_RNA) where: Base-Base interactions energy: -1652.619 where: short stacking energy: -673.388 Base-Backbone interact. energy: -5.504 local terms energy: -770.447415 where: bonds (distance) C4'-P energy: -143.388 bonds (distance) P-C4' energy: -149.400 flat angles C4'-P-C4' energy: -152.571 flat angles P-C4'-P energy: -117.928 tors. eta vs tors. theta energy: -207.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2353.668831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.668831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.668831 (E_RNA) where: Base-Base interactions energy: -1601.347 where: short stacking energy: -711.938 Base-Backbone interact. energy: 2.531 local terms energy: -754.852983 where: bonds (distance) C4'-P energy: -127.253 bonds (distance) P-C4' energy: -146.851 flat angles C4'-P-C4' energy: -173.692 flat angles P-C4'-P energy: -99.858 tors. eta vs tors. theta energy: -207.198 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: 3, replica: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2206.248998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.248998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.248998 (E_RNA) where: Base-Base interactions energy: -1486.276 where: short stacking energy: -668.120 Base-Backbone interact. energy: -2.968 local terms energy: -717.004859 where: bonds (distance) C4'-P energy: -136.306 bonds (distance) P-C4' energy: -135.452 flat angles C4'-P-C4' energy: -159.724 flat angles P-C4'-P energy: -94.356 tors. eta vs tors. theta energy: -191.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2072.323747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.323747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.323747 (E_RNA) where: Base-Base interactions energy: -1386.184 where: short stacking energy: -599.952 Base-Backbone interact. energy: 3.061 local terms energy: -689.200954 where: bonds (distance) C4'-P energy: -135.026 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -160.658 flat angles P-C4'-P energy: -106.952 tors. eta vs tors. theta energy: -152.957 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: 76 Temperature: 1.100000 Total energy: -1921.242001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.242001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.242001 (E_RNA) where: Base-Base interactions energy: -1242.090 where: short stacking energy: -558.818 Base-Backbone interact. energy: -1.026 local terms energy: -678.126154 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -152.283 flat angles C4'-P-C4' energy: -145.030 flat angles P-C4'-P energy: -95.105 tors. eta vs tors. theta energy: -153.628 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: 76 Temperature: 1.150000 Total energy: -1598.966165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.966165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.966165 (E_RNA) where: Base-Base interactions energy: -994.002 where: short stacking energy: -456.032 Base-Backbone interact. energy: -2.899 local terms energy: -602.065949 where: bonds (distance) C4'-P energy: -127.313 bonds (distance) P-C4' energy: -141.877 flat angles C4'-P-C4' energy: -146.214 flat angles P-C4'-P energy: -75.146 tors. eta vs tors. theta energy: -111.516 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: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1384.241027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.241027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.241027 (E_RNA) where: Base-Base interactions energy: -842.364 where: short stacking energy: -391.405 Base-Backbone interact. energy: -2.282 local terms energy: -539.594527 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -128.679 flat angles C4'-P-C4' energy: -128.982 flat angles P-C4'-P energy: -80.441 tors. eta vs tors. theta energy: -85.465 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: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -980.749955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.749955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.749955 (E_RNA) where: Base-Base interactions energy: -492.435 where: short stacking energy: -259.307 Base-Backbone interact. energy: -1.808 local terms energy: -486.506724 where: bonds (distance) C4'-P energy: -115.227 bonds (distance) P-C4' energy: -142.419 flat angles C4'-P-C4' energy: -116.344 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -37.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -715.877127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.877127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.877127 (E_RNA) where: Base-Base interactions energy: -288.361 where: short stacking energy: -195.529 Base-Backbone interact. energy: 2.479 local terms energy: -429.995604 where: bonds (distance) C4'-P energy: -121.480 bonds (distance) P-C4' energy: -130.461 flat angles C4'-P-C4' energy: -121.140 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: 11.675 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: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -649.123839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.123839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.123839 (E_RNA) where: Base-Base interactions energy: -243.386 where: short stacking energy: -178.153 Base-Backbone interact. energy: -0.374 local terms energy: -405.364208 where: bonds (distance) C4'-P energy: -122.328 bonds (distance) P-C4' energy: -114.674 flat angles C4'-P-C4' energy: -110.781 flat angles P-C4'-P energy: -72.860 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: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2474.857504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.857504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.857504 (E_RNA) where: Base-Base interactions energy: -1660.001 where: short stacking energy: -686.699 Base-Backbone interact. energy: -1.837 local terms energy: -813.019871 where: bonds (distance) C4'-P energy: -146.521 bonds (distance) P-C4' energy: -167.174 flat angles C4'-P-C4' energy: -165.401 flat angles P-C4'-P energy: -115.531 tors. eta vs tors. theta energy: -218.393 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: 77 Temperature: 0.950000 Total energy: -2319.979374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.979374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.979374 (E_RNA) where: Base-Base interactions energy: -1577.392 where: short stacking energy: -684.413 Base-Backbone interact. energy: -3.684 local terms energy: -738.902494 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -141.411 flat angles C4'-P-C4' energy: -166.696 flat angles P-C4'-P energy: -103.013 tors. eta vs tors. theta energy: -190.860 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: 3, replica: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2210.513401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.513401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.513401 (E_RNA) where: Base-Base interactions energy: -1492.907 where: short stacking energy: -649.605 Base-Backbone interact. energy: -1.577 local terms energy: -716.029024 where: bonds (distance) C4'-P energy: -119.309 bonds (distance) P-C4' energy: -154.615 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -101.837 tors. eta vs tors. theta energy: -171.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2078.418656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.418656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.418656 (E_RNA) where: Base-Base interactions energy: -1398.825 where: short stacking energy: -621.905 Base-Backbone interact. energy: -0.044 local terms energy: -679.548996 where: bonds (distance) C4'-P energy: -138.263 bonds (distance) P-C4' energy: -133.237 flat angles C4'-P-C4' energy: -160.768 flat angles P-C4'-P energy: -84.727 tors. eta vs tors. theta energy: -162.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1913.423478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.423478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.423478 (E_RNA) where: Base-Base interactions energy: -1272.943 where: short stacking energy: -552.823 Base-Backbone interact. energy: -2.330 local terms energy: -638.151117 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -133.173 flat angles C4'-P-C4' energy: -132.388 flat angles P-C4'-P energy: -96.212 tors. eta vs tors. theta energy: -146.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1588.465566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.465566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.465566 (E_RNA) where: Base-Base interactions energy: -967.335 where: short stacking energy: -433.035 Base-Backbone interact. energy: -0.406 local terms energy: -620.725257 where: bonds (distance) C4'-P energy: -136.340 bonds (distance) P-C4' energy: -137.748 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -90.751 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1329.028718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.028718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.028718 (E_RNA) where: Base-Base interactions energy: -788.300 where: short stacking energy: -374.796 Base-Backbone interact. energy: -2.647 local terms energy: -538.081865 where: bonds (distance) C4'-P energy: -135.910 bonds (distance) P-C4' energy: -130.873 flat angles C4'-P-C4' energy: -127.387 flat angles P-C4'-P energy: -67.002 tors. eta vs tors. theta energy: -76.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -960.328892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.328892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.328892 (E_RNA) where: Base-Base interactions energy: -471.850 where: short stacking energy: -248.831 Base-Backbone interact. energy: 6.433 local terms energy: -494.911816 where: bonds (distance) C4'-P energy: -133.778 bonds (distance) P-C4' energy: -143.027 flat angles C4'-P-C4' energy: -114.560 flat angles P-C4'-P energy: -83.547 tors. eta vs tors. theta energy: -20.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -689.691732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.691732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.691732 (E_RNA) where: Base-Base interactions energy: -308.688 where: short stacking energy: -188.065 Base-Backbone interact. energy: 4.329 local terms energy: -385.332011 where: bonds (distance) C4'-P energy: -106.531 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -81.562 flat angles P-C4'-P energy: -78.704 tors. eta vs tors. theta energy: 20.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -623.879633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.879633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.879633 (E_RNA) where: Base-Base interactions energy: -215.046 where: short stacking energy: -151.543 Base-Backbone interact. energy: -0.374 local terms energy: -408.458863 where: bonds (distance) C4'-P energy: -117.127 bonds (distance) P-C4' energy: -130.281 flat angles C4'-P-C4' energy: -122.926 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: 22.729 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: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2446.805765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.805765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.805765 (E_RNA) where: Base-Base interactions energy: -1649.827 where: short stacking energy: -664.329 Base-Backbone interact. energy: -0.041 local terms energy: -796.937774 where: bonds (distance) C4'-P energy: -158.892 bonds (distance) P-C4' energy: -145.287 flat angles C4'-P-C4' energy: -166.103 flat angles P-C4'-P energy: -118.113 tors. eta vs tors. theta energy: -208.543 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2302.123393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.123393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.123393 (E_RNA) where: Base-Base interactions energy: -1551.613 where: short stacking energy: -650.760 Base-Backbone interact. energy: -1.070 local terms energy: -749.440297 where: bonds (distance) C4'-P energy: -144.956 bonds (distance) P-C4' energy: -147.636 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -181.021 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: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2225.342316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.342316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.342316 (E_RNA) where: Base-Base interactions energy: -1469.117 where: short stacking energy: -653.766 Base-Backbone interact. energy: -0.670 local terms energy: -755.555707 where: bonds (distance) C4'-P energy: -139.429 bonds (distance) P-C4' energy: -148.958 flat angles C4'-P-C4' energy: -156.133 flat angles P-C4'-P energy: -112.149 tors. eta vs tors. theta energy: -198.886 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: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2062.526130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.526130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.526130 (E_RNA) where: Base-Base interactions energy: -1364.714 where: short stacking energy: -613.264 Base-Backbone interact. energy: -0.549 local terms energy: -697.263939 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -134.604 flat angles C4'-P-C4' energy: -160.460 flat angles P-C4'-P energy: -85.397 tors. eta vs tors. theta energy: -181.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1906.894019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.894019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.894019 (E_RNA) where: Base-Base interactions energy: -1225.061 where: short stacking energy: -549.057 Base-Backbone interact. energy: -2.465 local terms energy: -679.367889 where: bonds (distance) C4'-P energy: -136.541 bonds (distance) P-C4' energy: -140.002 flat angles C4'-P-C4' energy: -141.336 flat angles P-C4'-P energy: -102.363 tors. eta vs tors. theta energy: -159.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1631.560284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.560284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.560284 (E_RNA) where: Base-Base interactions energy: -1032.499 where: short stacking energy: -438.276 Base-Backbone interact. energy: -4.276 local terms energy: -594.785277 where: bonds (distance) C4'-P energy: -131.228 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -142.087 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -122.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1289.999820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.999820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.999820 (E_RNA) where: Base-Base interactions energy: -789.528 where: short stacking energy: -360.242 Base-Backbone interact. energy: 3.660 local terms energy: -504.132249 where: bonds (distance) C4'-P energy: -112.057 bonds (distance) P-C4' energy: -141.986 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -68.155 tors. eta vs tors. theta energy: -61.513 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: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -926.487985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.487985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.487985 (E_RNA) where: Base-Base interactions energy: -476.206 where: short stacking energy: -258.635 Base-Backbone interact. energy: -3.278 local terms energy: -447.004122 where: bonds (distance) C4'-P energy: -101.533 bonds (distance) P-C4' energy: -136.913 flat angles C4'-P-C4' energy: -128.694 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -21.476 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: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -673.137343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.137343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.137343 (E_RNA) where: Base-Base interactions energy: -268.686 where: short stacking energy: -184.819 Base-Backbone interact. energy: 0.469 local terms energy: -404.920814 where: bonds (distance) C4'-P energy: -122.871 bonds (distance) P-C4' energy: -131.809 flat angles C4'-P-C4' energy: -105.785 flat angles P-C4'-P energy: -64.834 tors. eta vs tors. theta energy: 20.379 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: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -628.967778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.967778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.967778 (E_RNA) where: Base-Base interactions energy: -234.874 where: short stacking energy: -158.673 Base-Backbone interact. energy: -3.309 local terms energy: -390.784866 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -112.766 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: 19.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2438.452508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.452508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.452508 (E_RNA) where: Base-Base interactions energy: -1647.657 where: short stacking energy: -681.643 Base-Backbone interact. energy: -4.112 local terms energy: -786.683382 where: bonds (distance) C4'-P energy: -160.391 bonds (distance) P-C4' energy: -142.549 flat angles C4'-P-C4' energy: -168.550 flat angles P-C4'-P energy: -107.236 tors. eta vs tors. theta energy: -207.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2292.764678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.764678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.764678 (E_RNA) where: Base-Base interactions energy: -1529.266 where: short stacking energy: -671.370 Base-Backbone interact. energy: 0.021 local terms energy: -763.520070 where: bonds (distance) C4'-P energy: -147.370 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -161.236 flat angles P-C4'-P energy: -103.333 tors. eta vs tors. theta energy: -198.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2187.009355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.009355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.009355 (E_RNA) where: Base-Base interactions energy: -1476.884 where: short stacking energy: -632.593 Base-Backbone interact. energy: -2.426 local terms energy: -707.699982 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -137.859 flat angles C4'-P-C4' energy: -157.136 flat angles P-C4'-P energy: -111.536 tors. eta vs tors. theta energy: -162.884 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: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1989.116755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.116755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.116755 (E_RNA) where: Base-Base interactions energy: -1331.338 where: short stacking energy: -572.270 Base-Backbone interact. energy: -3.789 local terms energy: -653.989707 where: bonds (distance) C4'-P energy: -138.870 bonds (distance) P-C4' energy: -126.199 flat angles C4'-P-C4' energy: -164.230 flat angles P-C4'-P energy: -90.150 tors. eta vs tors. theta energy: -134.540 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: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1860.326333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.326333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.326333 (E_RNA) where: Base-Base interactions energy: -1242.637 where: short stacking energy: -548.891 Base-Backbone interact. energy: -3.845 local terms energy: -613.844605 where: bonds (distance) C4'-P energy: -126.210 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -133.117 flat angles P-C4'-P energy: -94.640 tors. eta vs tors. theta energy: -145.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1658.510452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.510452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.510452 (E_RNA) where: Base-Base interactions energy: -1021.098 where: short stacking energy: -485.141 Base-Backbone interact. energy: -2.166 local terms energy: -635.246132 where: bonds (distance) C4'-P energy: -129.586 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -144.156 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -118.807 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: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1298.614740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.614740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.614740 (E_RNA) where: Base-Base interactions energy: -801.464 where: short stacking energy: -353.656 Base-Backbone interact. energy: -1.141 local terms energy: -496.009413 where: bonds (distance) C4'-P energy: -110.834 bonds (distance) P-C4' energy: -146.432 flat angles C4'-P-C4' energy: -139.730 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -46.705 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1013.525144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.525144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.525144 (E_RNA) where: Base-Base interactions energy: -541.907 where: short stacking energy: -289.995 Base-Backbone interact. energy: 3.036 local terms energy: -474.654187 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -125.872 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -22.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -674.255486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.255486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.255486 (E_RNA) where: Base-Base interactions energy: -260.653 where: short stacking energy: -182.223 Base-Backbone interact. energy: 2.703 local terms energy: -416.304963 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -132.832 flat angles C4'-P-C4' energy: -99.218 flat angles P-C4'-P energy: -64.525 tors. eta vs tors. theta energy: 14.707 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: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -616.286377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.286377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.286377 (E_RNA) where: Base-Base interactions energy: -235.615 where: short stacking energy: -152.665 Base-Backbone interact. energy: -1.628 local terms energy: -379.043242 where: bonds (distance) C4'-P energy: -125.228 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -96.842 flat angles P-C4'-P energy: -58.837 tors. eta vs tors. theta energy: 28.637 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: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2414.445411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.445411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.445411 (E_RNA) where: Base-Base interactions energy: -1638.322 where: short stacking energy: -675.668 Base-Backbone interact. energy: -2.073 local terms energy: -774.051120 where: bonds (distance) C4'-P energy: -158.336 bonds (distance) P-C4' energy: -148.825 flat angles C4'-P-C4' energy: -174.658 flat angles P-C4'-P energy: -95.506 tors. eta vs tors. theta energy: -196.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2287.885989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.885989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.885989 (E_RNA) where: Base-Base interactions energy: -1528.400 where: short stacking energy: -682.003 Base-Backbone interact. energy: -2.937 local terms energy: -756.548537 where: bonds (distance) C4'-P energy: -128.986 bonds (distance) P-C4' energy: -157.316 flat angles C4'-P-C4' energy: -174.767 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -191.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2221.362441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.362441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.362441 (E_RNA) where: Base-Base interactions energy: -1493.923 where: short stacking energy: -656.349 Base-Backbone interact. energy: 0.677 local terms energy: -728.115950 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -144.531 flat angles C4'-P-C4' energy: -163.161 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -185.757 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: 80 Temperature: 1.050000 Total energy: -2016.279543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.279543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.279543 (E_RNA) where: Base-Base interactions energy: -1341.059 where: short stacking energy: -602.276 Base-Backbone interact. energy: -1.058 local terms energy: -674.162413 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -137.361 flat angles C4'-P-C4' energy: -154.210 flat angles P-C4'-P energy: -89.924 tors. eta vs tors. theta energy: -162.138 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: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1918.785860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.785860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.785860 (E_RNA) where: Base-Base interactions energy: -1275.950 where: short stacking energy: -578.157 Base-Backbone interact. energy: -1.759 local terms energy: -641.076746 where: bonds (distance) C4'-P energy: -128.094 bonds (distance) P-C4' energy: -112.686 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -95.677 tors. eta vs tors. theta energy: -162.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1614.999737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.999737 (E_RNA) where: Base-Base interactions energy: -1016.671 where: short stacking energy: -479.760 Base-Backbone interact. energy: 0.092 local terms energy: -598.420523 where: bonds (distance) C4'-P energy: -120.138 bonds (distance) P-C4' energy: -143.271 flat angles C4'-P-C4' energy: -131.350 flat angles P-C4'-P energy: -82.209 tors. eta vs tors. theta energy: -121.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1354.978008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.978008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.978008 (E_RNA) where: Base-Base interactions energy: -817.754 where: short stacking energy: -374.634 Base-Backbone interact. energy: 5.450 local terms energy: -542.673921 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -125.355 flat angles P-C4'-P energy: -76.485 tors. eta vs tors. theta energy: -69.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1023.395413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.395413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.395413 (E_RNA) where: Base-Base interactions energy: -503.719 where: short stacking energy: -259.085 Base-Backbone interact. energy: 1.718 local terms energy: -521.394320 where: bonds (distance) C4'-P energy: -138.758 bonds (distance) P-C4' energy: -123.059 flat angles C4'-P-C4' energy: -134.529 flat angles P-C4'-P energy: -87.821 tors. eta vs tors. theta energy: -37.228 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: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -733.917309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.917309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.917309 (E_RNA) where: Base-Base interactions energy: -306.643 where: short stacking energy: -179.314 Base-Backbone interact. energy: 3.241 local terms energy: -430.515193 where: bonds (distance) C4'-P energy: -130.844 bonds (distance) P-C4' energy: -131.388 flat angles C4'-P-C4' energy: -134.570 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: 20.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -603.876109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.876109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.876109 (E_RNA) where: Base-Base interactions energy: -230.214 where: short stacking energy: -153.317 Base-Backbone interact. energy: -0.921 local terms energy: -372.741878 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -90.853 flat angles P-C4'-P energy: -57.298 tors. eta vs tors. theta energy: 41.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2411.783274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.783274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.783274 (E_RNA) where: Base-Base interactions energy: -1645.689 where: short stacking energy: -664.957 Base-Backbone interact. energy: -5.676 local terms energy: -760.418600 where: bonds (distance) C4'-P energy: -139.568 bonds (distance) P-C4' energy: -148.682 flat angles C4'-P-C4' energy: -171.070 flat angles P-C4'-P energy: -118.419 tors. eta vs tors. theta energy: -182.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2299.577770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.577770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.577770 (E_RNA) where: Base-Base interactions energy: -1512.776 where: short stacking energy: -656.221 Base-Backbone interact. energy: -3.654 local terms energy: -783.147514 where: bonds (distance) C4'-P energy: -160.930 bonds (distance) P-C4' energy: -149.730 flat angles C4'-P-C4' energy: -173.528 flat angles P-C4'-P energy: -101.533 tors. eta vs tors. theta energy: -197.426 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: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2164.539491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.539491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.539491 (E_RNA) where: Base-Base interactions energy: -1462.995 where: short stacking energy: -614.273 Base-Backbone interact. energy: -4.754 local terms energy: -696.789854 where: bonds (distance) C4'-P energy: -137.196 bonds (distance) P-C4' energy: -140.105 flat angles C4'-P-C4' energy: -153.224 flat angles P-C4'-P energy: -98.075 tors. eta vs tors. theta energy: -168.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2024.892611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.892611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.892611 (E_RNA) where: Base-Base interactions energy: -1358.817 where: short stacking energy: -602.569 Base-Backbone interact. energy: -2.975 local terms energy: -663.100959 where: bonds (distance) C4'-P energy: -125.261 bonds (distance) P-C4' energy: -146.102 flat angles C4'-P-C4' energy: -161.470 flat angles P-C4'-P energy: -86.279 tors. eta vs tors. theta energy: -143.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1875.614201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.614201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.614201 (E_RNA) where: Base-Base interactions energy: -1214.568 where: short stacking energy: -524.669 Base-Backbone interact. energy: -1.272 local terms energy: -659.774314 where: bonds (distance) C4'-P energy: -135.848 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -146.204 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -137.628 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: 81 Temperature: 1.150000 Total energy: -1597.493847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.493847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.493847 (E_RNA) where: Base-Base interactions energy: -996.689 where: short stacking energy: -470.108 Base-Backbone interact. energy: -2.356 local terms energy: -598.448514 where: bonds (distance) C4'-P energy: -118.440 bonds (distance) P-C4' energy: -123.077 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -121.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1391.378822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.378822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.378822 (E_RNA) where: Base-Base interactions energy: -809.990 where: short stacking energy: -404.783 Base-Backbone interact. energy: 3.766 local terms energy: -585.154558 where: bonds (distance) C4'-P energy: -127.815 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -140.283 flat angles P-C4'-P energy: -90.842 tors. eta vs tors. theta energy: -82.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1006.579197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.579197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.579197 (E_RNA) where: Base-Base interactions energy: -539.899 where: short stacking energy: -293.631 Base-Backbone interact. energy: -2.949 local terms energy: -463.731508 where: bonds (distance) C4'-P energy: -135.170 bonds (distance) P-C4' energy: -117.372 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -32.022 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -646.251007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.251007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.251007 (E_RNA) where: Base-Base interactions energy: -249.520 where: short stacking energy: -183.106 Base-Backbone interact. energy: -0.176 local terms energy: -396.554960 where: bonds (distance) C4'-P energy: -104.976 bonds (distance) P-C4' energy: -135.163 flat angles C4'-P-C4' energy: -104.863 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: 29.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -657.344964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.344964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.344964 (E_RNA) where: Base-Base interactions energy: -273.432 where: short stacking energy: -194.801 Base-Backbone interact. energy: 0.763 local terms energy: -384.675798 where: bonds (distance) C4'-P energy: -101.744 bonds (distance) P-C4' energy: -116.733 flat angles C4'-P-C4' energy: -103.848 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -3.056 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: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2359.669752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.669752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.669752 (E_RNA) where: Base-Base interactions energy: -1552.056 where: short stacking energy: -703.763 Base-Backbone interact. energy: 0.418 local terms energy: -808.031596 where: bonds (distance) C4'-P energy: -157.185 bonds (distance) P-C4' energy: -152.100 flat angles C4'-P-C4' energy: -175.511 flat angles P-C4'-P energy: -120.286 tors. eta vs tors. theta energy: -202.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2325.423151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.423151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.423151 (E_RNA) where: Base-Base interactions energy: -1553.362 where: short stacking energy: -658.259 Base-Backbone interact. energy: -4.920 local terms energy: -767.141066 where: bonds (distance) C4'-P energy: -158.940 bonds (distance) P-C4' energy: -144.803 flat angles C4'-P-C4' energy: -161.819 flat angles P-C4'-P energy: -107.543 tors. eta vs tors. theta energy: -194.036 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: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2194.901167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.901167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.901167 (E_RNA) where: Base-Base interactions energy: -1466.226 where: short stacking energy: -635.527 Base-Backbone interact. energy: 3.178 local terms energy: -731.853143 where: bonds (distance) C4'-P energy: -131.187 bonds (distance) P-C4' energy: -168.995 flat angles C4'-P-C4' energy: -156.267 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -189.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2019.644963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.644963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.644963 (E_RNA) where: Base-Base interactions energy: -1355.046 where: short stacking energy: -586.968 Base-Backbone interact. energy: 2.527 local terms energy: -667.126169 where: bonds (distance) C4'-P energy: -123.850 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -145.611 flat angles P-C4'-P energy: -96.877 tors. eta vs tors. theta energy: -168.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1939.722784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.722784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.722784 (E_RNA) where: Base-Base interactions energy: -1257.607 where: short stacking energy: -585.127 Base-Backbone interact. energy: 0.152 local terms energy: -682.267608 where: bonds (distance) C4'-P energy: -138.084 bonds (distance) P-C4' energy: -142.192 flat angles C4'-P-C4' energy: -154.418 flat angles P-C4'-P energy: -89.830 tors. eta vs tors. theta energy: -157.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1652.056603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.056603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.056603 (E_RNA) where: Base-Base interactions energy: -1056.505 where: short stacking energy: -442.806 Base-Backbone interact. energy: -3.433 local terms energy: -592.118483 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -135.422 flat angles C4'-P-C4' energy: -153.057 flat angles P-C4'-P energy: -88.999 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: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1320.601566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.601566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.601566 (E_RNA) where: Base-Base interactions energy: -775.268 where: short stacking energy: -373.213 Base-Backbone interact. energy: 0.268 local terms energy: -545.601952 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -145.207 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -87.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -971.595657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.595657 (E_RNA) where: Base-Base interactions energy: -480.499 where: short stacking energy: -261.532 Base-Backbone interact. energy: 0.447 local terms energy: -491.543385 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -152.324 flat angles C4'-P-C4' energy: -113.156 flat angles P-C4'-P energy: -65.020 tors. eta vs tors. theta energy: -36.627 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: 82 Temperature: 1.300000 Total energy: -725.441496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.441496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.441496 (E_RNA) where: Base-Base interactions energy: -313.414 where: short stacking energy: -154.811 Base-Backbone interact. energy: -3.204 local terms energy: -408.822878 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -129.120 flat angles C4'-P-C4' energy: -97.813 flat angles P-C4'-P energy: -84.056 tors. eta vs tors. theta energy: 19.454 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: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -545.765900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.765900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.765900 (E_RNA) where: Base-Base interactions energy: -165.063 where: short stacking energy: -129.731 Base-Backbone interact. energy: -0.807 local terms energy: -379.895149 where: bonds (distance) C4'-P energy: -117.018 bonds (distance) P-C4' energy: -142.380 flat angles C4'-P-C4' energy: -93.263 flat angles P-C4'-P energy: -61.414 tors. eta vs tors. theta energy: 34.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2396.541356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.541356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.541356 (E_RNA) where: Base-Base interactions energy: -1614.675 where: short stacking energy: -697.588 Base-Backbone interact. energy: -3.996 local terms energy: -777.869728 where: bonds (distance) C4'-P energy: -152.367 bonds (distance) P-C4' energy: -159.630 flat angles C4'-P-C4' energy: -175.180 flat angles P-C4'-P energy: -102.793 tors. eta vs tors. theta energy: -187.900 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: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2358.465326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.465326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.465326 (E_RNA) where: Base-Base interactions energy: -1565.742 where: short stacking energy: -681.294 Base-Backbone interact. energy: 0.653 local terms energy: -793.375988 where: bonds (distance) C4'-P energy: -151.398 bonds (distance) P-C4' energy: -154.072 flat angles C4'-P-C4' energy: -182.149 flat angles P-C4'-P energy: -97.553 tors. eta vs tors. theta energy: -208.203 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2237.308189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.308189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.308189 (E_RNA) where: Base-Base interactions energy: -1490.907 where: short stacking energy: -658.527 Base-Backbone interact. energy: -0.717 local terms energy: -745.684564 where: bonds (distance) C4'-P energy: -147.892 bonds (distance) P-C4' energy: -141.871 flat angles C4'-P-C4' energy: -172.652 flat angles P-C4'-P energy: -91.237 tors. eta vs tors. theta energy: -192.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2007.126899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.126899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.126899 (E_RNA) where: Base-Base interactions energy: -1311.013 where: short stacking energy: -575.755 Base-Backbone interact. energy: -3.051 local terms energy: -693.063091 where: bonds (distance) C4'-P energy: -125.632 bonds (distance) P-C4' energy: -149.600 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -162.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1978.458212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.458212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.458212 (E_RNA) where: Base-Base interactions energy: -1301.867 where: short stacking energy: -603.342 Base-Backbone interact. energy: -0.833 local terms energy: -675.758476 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -161.555 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: 83 Temperature: 1.150000 Total energy: -1672.232947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.232947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.232947 (E_RNA) where: Base-Base interactions energy: -1080.769 where: short stacking energy: -476.945 Base-Backbone interact. energy: -3.122 local terms energy: -588.342531 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -153.249 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -114.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1392.006466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.006466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.006466 (E_RNA) where: Base-Base interactions energy: -842.130 where: short stacking energy: -371.969 Base-Backbone interact. energy: -2.330 local terms energy: -547.546668 where: bonds (distance) C4'-P energy: -130.225 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -137.083 flat angles P-C4'-P energy: -81.211 tors. eta vs tors. theta energy: -67.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1058.442022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.442022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.442022 (E_RNA) where: Base-Base interactions energy: -590.816 where: short stacking energy: -314.553 Base-Backbone interact. energy: 1.934 local terms energy: -469.560444 where: bonds (distance) C4'-P energy: -100.363 bonds (distance) P-C4' energy: -143.618 flat angles C4'-P-C4' energy: -128.745 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -39.360 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: 83 Temperature: 1.300000 Total energy: -704.959969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.959969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.959969 (E_RNA) where: Base-Base interactions energy: -325.131 where: short stacking energy: -185.575 Base-Backbone interact. energy: -2.523 local terms energy: -377.306198 where: bonds (distance) C4'-P energy: -118.157 bonds (distance) P-C4' energy: -121.493 flat angles C4'-P-C4' energy: -89.987 flat angles P-C4'-P energy: -62.889 tors. eta vs tors. theta energy: 15.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -606.832674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.832674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.832674 (E_RNA) where: Base-Base interactions energy: -235.680 where: short stacking energy: -170.537 Base-Backbone interact. energy: 0.533 local terms energy: -371.685632 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -120.496 flat angles C4'-P-C4' energy: -123.923 flat angles P-C4'-P energy: -47.333 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: 1, replica: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2393.017763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.017763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.017763 (E_RNA) where: Base-Base interactions energy: -1606.725 where: short stacking energy: -681.295 Base-Backbone interact. energy: -5.188 local terms energy: -781.104920 where: bonds (distance) C4'-P energy: -136.244 bonds (distance) P-C4' energy: -169.173 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -194.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2320.993269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.993269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.993269 (E_RNA) where: Base-Base interactions energy: -1579.845 where: short stacking energy: -664.284 Base-Backbone interact. energy: -0.295 local terms energy: -740.853543 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -150.075 flat angles C4'-P-C4' energy: -163.722 flat angles P-C4'-P energy: -96.824 tors. eta vs tors. theta energy: -191.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2237.021245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.021245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.021245 (E_RNA) where: Base-Base interactions energy: -1525.185 where: short stacking energy: -629.682 Base-Backbone interact. energy: 1.692 local terms energy: -713.528619 where: bonds (distance) C4'-P energy: -138.823 bonds (distance) P-C4' energy: -140.594 flat angles C4'-P-C4' energy: -152.561 flat angles P-C4'-P energy: -94.357 tors. eta vs tors. theta energy: -187.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2054.162159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.162159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.162159 (E_RNA) where: Base-Base interactions energy: -1342.303 where: short stacking energy: -596.685 Base-Backbone interact. energy: -2.332 local terms energy: -709.527868 where: bonds (distance) C4'-P energy: -143.952 bonds (distance) P-C4' energy: -148.131 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -94.075 tors. eta vs tors. theta energy: -161.365 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: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1979.251862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.251862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.251862 (E_RNA) where: Base-Base interactions energy: -1348.571 where: short stacking energy: -562.285 Base-Backbone interact. energy: 0.136 local terms energy: -630.817200 where: bonds (distance) C4'-P energy: -124.648 bonds (distance) P-C4' energy: -127.041 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: -147.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1601.654880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.654880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.654880 (E_RNA) where: Base-Base interactions energy: -1015.489 where: short stacking energy: -452.331 Base-Backbone interact. energy: -2.514 local terms energy: -583.652232 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -137.119 flat angles C4'-P-C4' energy: -127.100 flat angles P-C4'-P energy: -72.573 tors. eta vs tors. theta energy: -123.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1420.688778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.688778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.688778 (E_RNA) where: Base-Base interactions energy: -883.066 where: short stacking energy: -430.170 Base-Backbone interact. energy: -0.886 local terms energy: -536.737448 where: bonds (distance) C4'-P energy: -123.873 bonds (distance) P-C4' energy: -105.587 flat angles C4'-P-C4' energy: -130.363 flat angles P-C4'-P energy: -83.276 tors. eta vs tors. theta energy: -93.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -959.448794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.448794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.448794 (E_RNA) where: Base-Base interactions energy: -528.304 where: short stacking energy: -274.707 Base-Backbone interact. energy: 5.239 local terms energy: -436.384240 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -131.304 flat angles C4'-P-C4' energy: -122.905 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: -14.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -642.667117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.667117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.667117 (E_RNA) where: Base-Base interactions energy: -217.407 where: short stacking energy: -168.528 Base-Backbone interact. energy: -3.742 local terms energy: -421.518042 where: bonds (distance) C4'-P energy: -104.071 bonds (distance) P-C4' energy: -143.318 flat angles C4'-P-C4' energy: -123.496 flat angles P-C4'-P energy: -63.373 tors. eta vs tors. theta energy: 12.740 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: 84 Temperature: 1.350000 Total energy: -650.333020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.333020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.333020 (E_RNA) where: Base-Base interactions energy: -290.776 where: short stacking energy: -169.279 Base-Backbone interact. energy: 8.460 local terms energy: -368.016381 where: bonds (distance) C4'-P energy: -124.046 bonds (distance) P-C4' energy: -112.531 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -63.770 tors. eta vs tors. theta energy: 23.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2427.335514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.335514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.335514 (E_RNA) where: Base-Base interactions energy: -1645.980 where: short stacking energy: -700.960 Base-Backbone interact. energy: 2.516 local terms energy: -783.871126 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -148.402 flat angles C4'-P-C4' energy: -171.607 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -204.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2313.071012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.071012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.071012 (E_RNA) where: Base-Base interactions energy: -1564.522 where: short stacking energy: -653.622 Base-Backbone interact. energy: -1.879 local terms energy: -746.670154 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -142.778 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -102.650 tors. eta vs tors. theta energy: -198.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2247.170944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.170944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.170944 (E_RNA) where: Base-Base interactions energy: -1507.025 where: short stacking energy: -641.652 Base-Backbone interact. energy: -1.133 local terms energy: -739.012399 where: bonds (distance) C4'-P energy: -134.317 bonds (distance) P-C4' energy: -141.539 flat angles C4'-P-C4' energy: -162.805 flat angles P-C4'-P energy: -116.993 tors. eta vs tors. theta energy: -183.358 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: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1977.560674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.560674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.560674 (E_RNA) where: Base-Base interactions energy: -1312.670 where: short stacking energy: -551.908 Base-Backbone interact. energy: -2.346 local terms energy: -662.544730 where: bonds (distance) C4'-P energy: -125.400 bonds (distance) P-C4' energy: -157.925 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -88.146 tors. eta vs tors. theta energy: -152.363 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: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1988.123250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.123250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.123250 (E_RNA) where: Base-Base interactions energy: -1298.583 where: short stacking energy: -573.905 Base-Backbone interact. energy: -2.248 local terms energy: -687.292097 where: bonds (distance) C4'-P energy: -125.203 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -151.390 flat angles P-C4'-P energy: -105.421 tors. eta vs tors. theta energy: -162.037 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: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1561.482038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.482038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.482038 (E_RNA) where: Base-Base interactions energy: -951.822 where: short stacking energy: -418.719 Base-Backbone interact. energy: -4.689 local terms energy: -604.970889 where: bonds (distance) C4'-P energy: -114.229 bonds (distance) P-C4' energy: -152.716 flat angles C4'-P-C4' energy: -140.892 flat angles P-C4'-P energy: -89.871 tors. eta vs tors. theta energy: -107.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1381.892341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.892341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.892341 (E_RNA) where: Base-Base interactions energy: -848.990 where: short stacking energy: -404.725 Base-Backbone interact. energy: -0.499 local terms energy: -532.403298 where: bonds (distance) C4'-P energy: -114.052 bonds (distance) P-C4' energy: -109.205 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -83.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -966.331378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.331378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.331378 (E_RNA) where: Base-Base interactions energy: -501.034 where: short stacking energy: -266.176 Base-Backbone interact. energy: 5.172 local terms energy: -470.468474 where: bonds (distance) C4'-P energy: -118.708 bonds (distance) P-C4' energy: -138.633 flat angles C4'-P-C4' energy: -110.930 flat angles P-C4'-P energy: -67.651 tors. eta vs tors. theta energy: -34.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -620.207011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.207011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.207011 (E_RNA) where: Base-Base interactions energy: -235.676 where: short stacking energy: -163.068 Base-Backbone interact. energy: -5.524 local terms energy: -379.006645 where: bonds (distance) C4'-P energy: -116.879 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -113.741 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: 31.290 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: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -643.592546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.592546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.592546 (E_RNA) where: Base-Base interactions energy: -290.852 where: short stacking energy: -197.176 Base-Backbone interact. energy: 4.857 local terms energy: -357.598092 where: bonds (distance) C4'-P energy: -98.446 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -119.586 flat angles P-C4'-P energy: -49.371 tors. eta vs tors. theta energy: 34.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2437.773596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.773596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.773596 (E_RNA) where: Base-Base interactions energy: -1651.104 where: short stacking energy: -722.871 Base-Backbone interact. energy: 0.769 local terms energy: -787.439150 where: bonds (distance) C4'-P energy: -159.860 bonds (distance) P-C4' energy: -160.516 flat angles C4'-P-C4' energy: -157.759 flat angles P-C4'-P energy: -109.368 tors. eta vs tors. theta energy: -199.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2354.824280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.824280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.824280 (E_RNA) where: Base-Base interactions energy: -1569.097 where: short stacking energy: -665.059 Base-Backbone interact. energy: -2.348 local terms energy: -783.379337 where: bonds (distance) C4'-P energy: -146.797 bonds (distance) P-C4' energy: -163.678 flat angles C4'-P-C4' energy: -159.777 flat angles P-C4'-P energy: -112.327 tors. eta vs tors. theta energy: -200.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2245.272348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.272348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.272348 (E_RNA) where: Base-Base interactions energy: -1524.029 where: short stacking energy: -671.437 Base-Backbone interact. energy: -2.168 local terms energy: -719.075122 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -151.296 flat angles P-C4'-P energy: -96.964 tors. eta vs tors. theta energy: -210.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1975.473703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.473703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.473703 (E_RNA) where: Base-Base interactions energy: -1301.180 where: short stacking energy: -551.157 Base-Backbone interact. energy: -2.458 local terms energy: -671.834851 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -137.017 flat angles C4'-P-C4' energy: -156.345 flat angles P-C4'-P energy: -103.962 tors. eta vs tors. theta energy: -132.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2027.111860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.111860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.111860 (E_RNA) where: Base-Base interactions energy: -1358.007 where: short stacking energy: -593.553 Base-Backbone interact. energy: -0.547 local terms energy: -668.558049 where: bonds (distance) C4'-P energy: -126.021 bonds (distance) P-C4' energy: -140.584 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -103.007 tors. eta vs tors. theta energy: -160.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1629.884554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.884554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.884554 (E_RNA) where: Base-Base interactions energy: -1035.451 where: short stacking energy: -467.616 Base-Backbone interact. energy: 4.695 local terms energy: -599.128977 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -145.677 flat angles P-C4'-P energy: -78.846 tors. eta vs tors. theta energy: -116.586 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: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1354.014442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.014442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.014442 (E_RNA) where: Base-Base interactions energy: -790.234 where: short stacking energy: -380.568 Base-Backbone interact. energy: 1.124 local terms energy: -564.905130 where: bonds (distance) C4'-P energy: -124.001 bonds (distance) P-C4' energy: -125.035 flat angles C4'-P-C4' energy: -141.661 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -77.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -969.092960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.092960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.092960 (E_RNA) where: Base-Base interactions energy: -508.108 where: short stacking energy: -289.994 Base-Backbone interact. energy: -0.187 local terms energy: -460.797835 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -116.380 flat angles P-C4'-P energy: -75.302 tors. eta vs tors. theta energy: -26.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -725.741353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.741353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.741353 (E_RNA) where: Base-Base interactions energy: -335.381 where: short stacking energy: -197.169 Base-Backbone interact. energy: -0.083 local terms energy: -390.276958 where: bonds (distance) C4'-P energy: -120.191 bonds (distance) P-C4' energy: -122.229 flat angles C4'-P-C4' energy: -97.461 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: 17.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -565.502898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.502898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.502898 (E_RNA) where: Base-Base interactions energy: -227.005 where: short stacking energy: -160.401 Base-Backbone interact. energy: 1.001 local terms energy: -339.499778 where: bonds (distance) C4'-P energy: -106.593 bonds (distance) P-C4' energy: -135.855 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -64.042 tors. eta vs tors. theta energy: 37.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2456.679551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.679551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.679551 (E_RNA) where: Base-Base interactions energy: -1700.046 where: short stacking energy: -723.808 Base-Backbone interact. energy: -3.067 local terms energy: -753.565991 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -153.072 flat angles C4'-P-C4' energy: -169.956 flat angles P-C4'-P energy: -92.258 tors. eta vs tors. theta energy: -187.195 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: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2323.952278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.952278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.952278 (E_RNA) where: Base-Base interactions energy: -1538.234 where: short stacking energy: -654.878 Base-Backbone interact. energy: 0.787 local terms energy: -786.506214 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -209.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2183.451821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.451821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.451821 (E_RNA) where: Base-Base interactions energy: -1479.133 where: short stacking energy: -629.959 Base-Backbone interact. energy: -4.989 local terms energy: -699.329358 where: bonds (distance) C4'-P energy: -133.289 bonds (distance) P-C4' energy: -139.431 flat angles C4'-P-C4' energy: -144.348 flat angles P-C4'-P energy: -103.265 tors. eta vs tors. theta energy: -178.996 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2107.928172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.928172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.928172 (E_RNA) where: Base-Base interactions energy: -1393.429 where: short stacking energy: -582.777 Base-Backbone interact. energy: -3.660 local terms energy: -710.838628 where: bonds (distance) C4'-P energy: -139.115 bonds (distance) P-C4' energy: -144.155 flat angles C4'-P-C4' energy: -169.747 flat angles P-C4'-P energy: -93.204 tors. eta vs tors. theta energy: -164.617 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: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1902.982894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.982894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.982894 (E_RNA) where: Base-Base interactions energy: -1251.724 where: short stacking energy: -519.161 Base-Backbone interact. energy: -2.180 local terms energy: -649.079185 where: bonds (distance) C4'-P energy: -139.468 bonds (distance) P-C4' energy: -138.414 flat angles C4'-P-C4' energy: -152.108 flat angles P-C4'-P energy: -91.699 tors. eta vs tors. theta energy: -127.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1661.471152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.471152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.471152 (E_RNA) where: Base-Base interactions energy: -1078.368 where: short stacking energy: -486.451 Base-Backbone interact. energy: -4.308 local terms energy: -578.795969 where: bonds (distance) C4'-P energy: -115.174 bonds (distance) P-C4' energy: -121.433 flat angles C4'-P-C4' energy: -130.213 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -131.830 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: 7, replica: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1355.822222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.822222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.822222 (E_RNA) where: Base-Base interactions energy: -805.846 where: short stacking energy: -391.988 Base-Backbone interact. energy: 0.890 local terms energy: -550.865756 where: bonds (distance) C4'-P energy: -135.220 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -129.401 flat angles P-C4'-P energy: -77.293 tors. eta vs tors. theta energy: -86.207 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: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -898.437698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.437698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.437698 (E_RNA) where: Base-Base interactions energy: -437.625 where: short stacking energy: -252.259 Base-Backbone interact. energy: -0.080 local terms energy: -460.732297 where: bonds (distance) C4'-P energy: -111.409 bonds (distance) P-C4' energy: -131.151 flat angles C4'-P-C4' energy: -135.216 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -774.130744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.130744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.130744 (E_RNA) where: Base-Base interactions energy: -345.480 where: short stacking energy: -204.970 Base-Backbone interact. energy: -2.072 local terms energy: -426.578457 where: bonds (distance) C4'-P energy: -125.255 bonds (distance) P-C4' energy: -121.257 flat angles C4'-P-C4' energy: -126.557 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: 11.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -593.724013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.724013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.724013 (E_RNA) where: Base-Base interactions energy: -203.434 where: short stacking energy: -157.937 Base-Backbone interact. energy: -3.931 local terms energy: -386.359005 where: bonds (distance) C4'-P energy: -113.343 bonds (distance) P-C4' energy: -124.899 flat angles C4'-P-C4' energy: -104.343 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: 22.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2464.318683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.318683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.318683 (E_RNA) where: Base-Base interactions energy: -1695.202 where: short stacking energy: -721.604 Base-Backbone interact. energy: 3.897 local terms energy: -773.013473 where: bonds (distance) C4'-P energy: -145.302 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -165.123 flat angles P-C4'-P energy: -120.777 tors. eta vs tors. theta energy: -198.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2344.051468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.051468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.051468 (E_RNA) where: Base-Base interactions energy: -1539.906 where: short stacking energy: -694.252 Base-Backbone interact. energy: -3.426 local terms energy: -800.719321 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -144.558 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -120.120 tors. eta vs tors. theta energy: -217.624 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: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2177.127374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.127374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.127374 (E_RNA) where: Base-Base interactions energy: -1454.055 where: short stacking energy: -634.551 Base-Backbone interact. energy: -1.490 local terms energy: -721.582788 where: bonds (distance) C4'-P energy: -140.620 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -154.974 flat angles P-C4'-P energy: -101.687 tors. eta vs tors. theta energy: -176.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2158.353484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.353484 (E_RNA) where: Base-Base interactions energy: -1457.932 where: short stacking energy: -640.790 Base-Backbone interact. energy: 0.563 local terms energy: -700.984457 where: bonds (distance) C4'-P energy: -126.645 bonds (distance) P-C4' energy: -126.705 flat angles C4'-P-C4' energy: -164.906 flat angles P-C4'-P energy: -105.037 tors. eta vs tors. theta energy: -177.691 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: 88 Temperature: 1.100000 Total energy: -1906.312778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.312778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.312778 (E_RNA) where: Base-Base interactions energy: -1286.116 where: short stacking energy: -546.315 Base-Backbone interact. energy: -0.677 local terms energy: -619.520370 where: bonds (distance) C4'-P energy: -141.336 bonds (distance) P-C4' energy: -134.472 flat angles C4'-P-C4' energy: -132.107 flat angles P-C4'-P energy: -79.228 tors. eta vs tors. theta energy: -132.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1679.130624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.130624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.130624 (E_RNA) where: Base-Base interactions energy: -1060.753 where: short stacking energy: -465.571 Base-Backbone interact. energy: -1.058 local terms energy: -617.319598 where: bonds (distance) C4'-P energy: -155.058 bonds (distance) P-C4' energy: -126.624 flat angles C4'-P-C4' energy: -128.714 flat angles P-C4'-P energy: -87.258 tors. eta vs tors. theta energy: -119.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1345.821098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.821098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.821098 (E_RNA) where: Base-Base interactions energy: -820.161 where: short stacking energy: -388.117 Base-Backbone interact. energy: 2.733 local terms energy: -528.392977 where: bonds (distance) C4'-P energy: -125.785 bonds (distance) P-C4' energy: -144.297 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -65.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -882.886654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.886654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.886654 (E_RNA) where: Base-Base interactions energy: -452.869 where: short stacking energy: -233.262 Base-Backbone interact. energy: -1.524 local terms energy: -428.493693 where: bonds (distance) C4'-P energy: -118.360 bonds (distance) P-C4' energy: -129.882 flat angles C4'-P-C4' energy: -116.465 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: 10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -753.705482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.705482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.705482 (E_RNA) where: Base-Base interactions energy: -331.769 where: short stacking energy: -234.893 Base-Backbone interact. energy: 1.363 local terms energy: -423.300011 where: bonds (distance) C4'-P energy: -123.893 bonds (distance) P-C4' energy: -120.226 flat angles C4'-P-C4' energy: -117.206 flat angles P-C4'-P energy: -69.073 tors. eta vs tors. theta energy: 7.099 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: 88 Temperature: 1.350000 Total energy: -577.379208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.379208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.379208 (E_RNA) where: Base-Base interactions energy: -198.749 where: short stacking energy: -142.142 Base-Backbone interact. energy: -2.877 local terms energy: -375.753212 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -131.104 flat angles C4'-P-C4' energy: -122.990 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: 39.665 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: 89 Temperature: 0.900000 Total energy: -2507.718839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.718839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.718839 (E_RNA) where: Base-Base interactions energy: -1689.506 where: short stacking energy: -691.565 Base-Backbone interact. energy: -3.028 local terms energy: -815.185389 where: bonds (distance) C4'-P energy: -159.483 bonds (distance) P-C4' energy: -172.607 flat angles C4'-P-C4' energy: -166.647 flat angles P-C4'-P energy: -107.937 tors. eta vs tors. theta energy: -208.512 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: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2302.692712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.692712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.692712 (E_RNA) where: Base-Base interactions energy: -1526.634 where: short stacking energy: -678.794 Base-Backbone interact. energy: -1.651 local terms energy: -774.407835 where: bonds (distance) C4'-P energy: -150.063 bonds (distance) P-C4' energy: -157.218 flat angles C4'-P-C4' energy: -158.855 flat angles P-C4'-P energy: -104.961 tors. eta vs tors. theta energy: -203.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2192.691152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.691152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.691152 (E_RNA) where: Base-Base interactions energy: -1512.777 where: short stacking energy: -640.241 Base-Backbone interact. energy: -2.623 local terms energy: -677.291838 where: bonds (distance) C4'-P energy: -121.326 bonds (distance) P-C4' energy: -151.151 flat angles C4'-P-C4' energy: -148.394 flat angles P-C4'-P energy: -88.080 tors. eta vs tors. theta energy: -168.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2154.370700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.370700 (E_RNA) where: Base-Base interactions energy: -1448.980 where: short stacking energy: -621.173 Base-Backbone interact. energy: -0.244 local terms energy: -705.146978 where: bonds (distance) C4'-P energy: -125.601 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -151.006 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -185.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1923.622634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.622634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.622634 (E_RNA) where: Base-Base interactions energy: -1244.541 where: short stacking energy: -563.629 Base-Backbone interact. energy: -0.607 local terms energy: -678.474152 where: bonds (distance) C4'-P energy: -130.873 bonds (distance) P-C4' energy: -137.016 flat angles C4'-P-C4' energy: -162.822 flat angles P-C4'-P energy: -97.990 tors. eta vs tors. theta energy: -149.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1614.236784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.236784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.236784 (E_RNA) where: Base-Base interactions energy: -999.383 where: short stacking energy: -472.742 Base-Backbone interact. energy: -2.389 local terms energy: -612.464825 where: bonds (distance) C4'-P energy: -125.711 bonds (distance) P-C4' energy: -132.269 flat angles C4'-P-C4' energy: -140.777 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -123.267 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: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1380.714277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.714277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.714277 (E_RNA) where: Base-Base interactions energy: -842.960 where: short stacking energy: -373.841 Base-Backbone interact. energy: -2.530 local terms energy: -535.223581 where: bonds (distance) C4'-P energy: -133.599 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -92.159 tors. eta vs tors. theta energy: -65.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -916.593177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.593177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.593177 (E_RNA) where: Base-Base interactions energy: -480.418 where: short stacking energy: -263.740 Base-Backbone interact. energy: 3.327 local terms energy: -439.503028 where: bonds (distance) C4'-P energy: -132.466 bonds (distance) P-C4' energy: -124.918 flat angles C4'-P-C4' energy: -103.148 flat angles P-C4'-P energy: -57.554 tors. eta vs tors. theta energy: -21.416 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: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -661.909408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.909408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.909408 (E_RNA) where: Base-Base interactions energy: -278.989 where: short stacking energy: -179.490 Base-Backbone interact. energy: -0.140 local terms energy: -382.780371 where: bonds (distance) C4'-P energy: -124.598 bonds (distance) P-C4' energy: -118.450 flat angles C4'-P-C4' energy: -101.640 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: 29.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -543.871576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.871576 (E_RNA) where: Base-Base interactions energy: -185.827 where: short stacking energy: -144.858 Base-Backbone interact. energy: 3.868 local terms energy: -361.912614 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -113.859 flat angles C4'-P-C4' energy: -104.311 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: 24.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2467.341815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.341815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.341815 (E_RNA) where: Base-Base interactions energy: -1702.211 where: short stacking energy: -712.808 Base-Backbone interact. energy: 2.176 local terms energy: -767.306818 where: bonds (distance) C4'-P energy: -146.028 bonds (distance) P-C4' energy: -150.431 flat angles C4'-P-C4' energy: -174.239 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -205.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2294.068539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.068539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.068539 (E_RNA) where: Base-Base interactions energy: -1522.026 where: short stacking energy: -668.395 Base-Backbone interact. energy: -1.559 local terms energy: -770.483679 where: bonds (distance) C4'-P energy: -166.648 bonds (distance) P-C4' energy: -142.616 flat angles C4'-P-C4' energy: -166.418 flat angles P-C4'-P energy: -106.069 tors. eta vs tors. theta energy: -188.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2271.785524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.785524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.785524 (E_RNA) where: Base-Base interactions energy: -1512.917 where: short stacking energy: -655.363 Base-Backbone interact. energy: -2.263 local terms energy: -756.605686 where: bonds (distance) C4'-P energy: -136.862 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -147.699 flat angles P-C4'-P energy: -117.334 tors. eta vs tors. theta energy: -200.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2134.377279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.377279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.377279 (E_RNA) where: Base-Base interactions energy: -1472.818 where: short stacking energy: -587.020 Base-Backbone interact. energy: 3.583 local terms energy: -665.142145 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -149.815 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -165.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1962.430032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.430032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.430032 (E_RNA) where: Base-Base interactions energy: -1297.771 where: short stacking energy: -566.498 Base-Backbone interact. energy: -2.100 local terms energy: -662.558715 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -141.449 flat angles P-C4'-P energy: -98.470 tors. eta vs tors. theta energy: -152.427 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: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1593.549583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.549583 (E_RNA) where: Base-Base interactions energy: -996.845 where: short stacking energy: -457.976 Base-Backbone interact. energy: 0.498 local terms energy: -597.202323 where: bonds (distance) C4'-P energy: -128.299 bonds (distance) P-C4' energy: -130.382 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -84.618 tors. eta vs tors. theta energy: -115.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1441.899249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.899249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.899249 (E_RNA) where: Base-Base interactions energy: -888.988 where: short stacking energy: -377.149 Base-Backbone interact. energy: -2.777 local terms energy: -550.134781 where: bonds (distance) C4'-P energy: -121.536 bonds (distance) P-C4' energy: -138.096 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -89.543 tors. eta vs tors. theta energy: -76.875 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: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -918.251166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.251166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.251166 (E_RNA) where: Base-Base interactions energy: -492.568 where: short stacking energy: -247.520 Base-Backbone interact. energy: -1.175 local terms energy: -424.508751 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -128.485 flat angles C4'-P-C4' energy: -100.839 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -9.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -702.772884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.772884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.772884 (E_RNA) where: Base-Base interactions energy: -299.684 where: short stacking energy: -200.651 Base-Backbone interact. energy: -0.438 local terms energy: -402.650720 where: bonds (distance) C4'-P energy: -134.705 bonds (distance) P-C4' energy: -125.681 flat angles C4'-P-C4' energy: -88.674 flat angles P-C4'-P energy: -60.925 tors. eta vs tors. theta energy: 7.333 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: 90 Temperature: 1.350000 Total energy: -592.269590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.269590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.269590 (E_RNA) where: Base-Base interactions energy: -231.824 where: short stacking energy: -143.707 Base-Backbone interact. energy: -0.174 local terms energy: -360.270730 where: bonds (distance) C4'-P energy: -101.100 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -122.804 flat angles P-C4'-P energy: -47.954 tors. eta vs tors. theta energy: 27.289 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: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2463.669867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.669867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.669867 (E_RNA) where: Base-Base interactions energy: -1706.270 where: short stacking energy: -703.843 Base-Backbone interact. energy: -2.535 local terms energy: -754.864838 where: bonds (distance) C4'-P energy: -135.512 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -166.959 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -209.770 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: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2291.313551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.313551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.313551 (E_RNA) where: Base-Base interactions energy: -1515.840 where: short stacking energy: -660.228 Base-Backbone interact. energy: -4.657 local terms energy: -770.816179 where: bonds (distance) C4'-P energy: -153.493 bonds (distance) P-C4' energy: -155.052 flat angles C4'-P-C4' energy: -167.778 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -183.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2321.374196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.374196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.374196 (E_RNA) where: Base-Base interactions energy: -1571.062 where: short stacking energy: -636.371 Base-Backbone interact. energy: 1.425 local terms energy: -751.737529 where: bonds (distance) C4'-P energy: -131.931 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -163.555 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -197.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2075.803152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.803152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.803152 (E_RNA) where: Base-Base interactions energy: -1420.811 where: short stacking energy: -615.390 Base-Backbone interact. energy: -2.633 local terms energy: -652.359405 where: bonds (distance) C4'-P energy: -117.042 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -166.148 flat angles P-C4'-P energy: -89.079 tors. eta vs tors. theta energy: -165.970 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: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1987.608790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.608790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.608790 (E_RNA) where: Base-Base interactions energy: -1363.448 where: short stacking energy: -576.541 Base-Backbone interact. energy: -0.466 local terms energy: -623.694447 where: bonds (distance) C4'-P energy: -105.833 bonds (distance) P-C4' energy: -120.814 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -87.362 tors. eta vs tors. theta energy: -159.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1668.746975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.746975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.746975 (E_RNA) where: Base-Base interactions energy: -1033.704 where: short stacking energy: -499.875 Base-Backbone interact. energy: -1.752 local terms energy: -633.291647 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -143.600 flat angles C4'-P-C4' energy: -133.864 flat angles P-C4'-P energy: -80.664 tors. eta vs tors. theta energy: -134.386 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: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1414.448281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.448281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.448281 (E_RNA) where: Base-Base interactions energy: -868.072 where: short stacking energy: -397.501 Base-Backbone interact. energy: 0.694 local terms energy: -547.070502 where: bonds (distance) C4'-P energy: -143.601 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -133.932 flat angles P-C4'-P energy: -91.062 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -937.188542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.188542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.188542 (E_RNA) where: Base-Base interactions energy: -499.526 where: short stacking energy: -275.543 Base-Backbone interact. energy: 0.031 local terms energy: -437.693546 where: bonds (distance) C4'-P energy: -116.188 bonds (distance) P-C4' energy: -117.305 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -70.196 tors. eta vs tors. theta energy: -28.378 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: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -679.655714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.655714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.655714 (E_RNA) where: Base-Base interactions energy: -299.582 where: short stacking energy: -212.503 Base-Backbone interact. energy: 4.239 local terms energy: -384.312315 where: bonds (distance) C4'-P energy: -112.908 bonds (distance) P-C4' energy: -121.742 flat angles C4'-P-C4' energy: -100.174 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: 14.119 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: 91 Temperature: 1.350000 Total energy: -552.113665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.113665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.113665 (E_RNA) where: Base-Base interactions energy: -167.334 where: short stacking energy: -96.636 Base-Backbone interact. energy: 1.473 local terms energy: -386.252406 where: bonds (distance) C4'-P energy: -134.513 bonds (distance) P-C4' energy: -143.934 flat angles C4'-P-C4' energy: -114.219 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: 55.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2495.657926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.657926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.657926 (E_RNA) where: Base-Base interactions energy: -1711.739 where: short stacking energy: -699.387 Base-Backbone interact. energy: -5.731 local terms energy: -778.188114 where: bonds (distance) C4'-P energy: -147.463 bonds (distance) P-C4' energy: -137.111 flat angles C4'-P-C4' energy: -167.792 flat angles P-C4'-P energy: -117.845 tors. eta vs tors. theta energy: -207.978 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: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2301.779041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.779041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.779041 (E_RNA) where: Base-Base interactions energy: -1526.645 where: short stacking energy: -665.743 Base-Backbone interact. energy: -2.824 local terms energy: -772.309666 where: bonds (distance) C4'-P energy: -140.032 bonds (distance) P-C4' energy: -166.657 flat angles C4'-P-C4' energy: -158.051 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -202.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2315.200291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.200291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.200291 (E_RNA) where: Base-Base interactions energy: -1576.513 where: short stacking energy: -662.601 Base-Backbone interact. energy: -1.723 local terms energy: -736.964477 where: bonds (distance) C4'-P energy: -147.729 bonds (distance) P-C4' energy: -147.145 flat angles C4'-P-C4' energy: -160.812 flat angles P-C4'-P energy: -97.534 tors. eta vs tors. theta energy: -183.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2062.842251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.842251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.842251 (E_RNA) where: Base-Base interactions energy: -1381.239 where: short stacking energy: -574.463 Base-Backbone interact. energy: -0.831 local terms energy: -680.772030 where: bonds (distance) C4'-P energy: -130.335 bonds (distance) P-C4' energy: -145.367 flat angles C4'-P-C4' energy: -152.612 flat angles P-C4'-P energy: -97.289 tors. eta vs tors. theta energy: -155.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1992.241328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.241328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.241328 (E_RNA) where: Base-Base interactions energy: -1314.580 where: short stacking energy: -563.098 Base-Backbone interact. energy: -2.512 local terms energy: -675.148897 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -144.337 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -83.350 tors. eta vs tors. theta energy: -155.551 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: 92 Temperature: 1.150000 Total energy: -1625.875090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.875090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.875090 (E_RNA) where: Base-Base interactions energy: -1033.975 where: short stacking energy: -488.418 Base-Backbone interact. energy: 0.374 local terms energy: -592.273780 where: bonds (distance) C4'-P energy: -138.793 bonds (distance) P-C4' energy: -123.740 flat angles C4'-P-C4' energy: -129.878 flat angles P-C4'-P energy: -74.992 tors. eta vs tors. theta energy: -124.871 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: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1349.516372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.516372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.516372 (E_RNA) where: Base-Base interactions energy: -786.221 where: short stacking energy: -380.468 Base-Backbone interact. energy: -2.920 local terms energy: -560.374678 where: bonds (distance) C4'-P energy: -143.737 bonds (distance) P-C4' energy: -114.263 flat angles C4'-P-C4' energy: -140.072 flat angles P-C4'-P energy: -82.839 tors. eta vs tors. theta energy: -79.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -992.235149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.235149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.235149 (E_RNA) where: Base-Base interactions energy: -513.366 where: short stacking energy: -278.981 Base-Backbone interact. energy: 1.473 local terms energy: -480.341631 where: bonds (distance) C4'-P energy: -141.795 bonds (distance) P-C4' energy: -131.758 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -71.496 tors. eta vs tors. theta energy: -15.557 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: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -669.752852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.752852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.752852 (E_RNA) where: Base-Base interactions energy: -259.555 where: short stacking energy: -159.621 Base-Backbone interact. energy: 7.117 local terms energy: -417.314546 where: bonds (distance) C4'-P energy: -124.739 bonds (distance) P-C4' energy: -143.044 flat angles C4'-P-C4' energy: -97.235 flat angles P-C4'-P energy: -81.086 tors. eta vs tors. theta energy: 28.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -558.392244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.392244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.392244 (E_RNA) where: Base-Base interactions energy: -185.871 where: short stacking energy: -137.267 Base-Backbone interact. energy: -1.623 local terms energy: -370.898335 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -132.650 flat angles C4'-P-C4' energy: -97.875 flat angles P-C4'-P energy: -47.690 tors. eta vs tors. theta energy: 28.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2465.586848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.586848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.586848 (E_RNA) where: Base-Base interactions energy: -1684.839 where: short stacking energy: -709.420 Base-Backbone interact. energy: -5.190 local terms energy: -775.557545 where: bonds (distance) C4'-P energy: -141.647 bonds (distance) P-C4' energy: -139.688 flat angles C4'-P-C4' energy: -170.880 flat angles P-C4'-P energy: -112.064 tors. eta vs tors. theta energy: -211.278 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: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2374.887061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.887061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.887061 (E_RNA) where: Base-Base interactions energy: -1594.635 where: short stacking energy: -689.810 Base-Backbone interact. energy: 0.838 local terms energy: -781.089767 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -150.042 flat angles C4'-P-C4' energy: -174.854 flat angles P-C4'-P energy: -99.695 tors. eta vs tors. theta energy: -205.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2271.473719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.473719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.473719 (E_RNA) where: Base-Base interactions energy: -1542.139 where: short stacking energy: -647.382 Base-Backbone interact. energy: -4.240 local terms energy: -725.095423 where: bonds (distance) C4'-P energy: -118.115 bonds (distance) P-C4' energy: -138.090 flat angles C4'-P-C4' energy: -164.752 flat angles P-C4'-P energy: -107.468 tors. eta vs tors. theta energy: -196.670 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: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2088.650284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.650284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.650284 (E_RNA) where: Base-Base interactions energy: -1408.584 where: short stacking energy: -598.495 Base-Backbone interact. energy: -1.665 local terms energy: -678.402027 where: bonds (distance) C4'-P energy: -133.903 bonds (distance) P-C4' energy: -140.443 flat angles C4'-P-C4' energy: -140.324 flat angles P-C4'-P energy: -97.662 tors. eta vs tors. theta energy: -166.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1963.724098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.724098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.724098 (E_RNA) where: Base-Base interactions energy: -1291.929 where: short stacking energy: -579.854 Base-Backbone interact. energy: -4.105 local terms energy: -667.690326 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -135.007 flat angles C4'-P-C4' energy: -152.435 flat angles P-C4'-P energy: -86.546 tors. eta vs tors. theta energy: -156.394 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: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1554.755583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.755583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.755583 (E_RNA) where: Base-Base interactions energy: -963.152 where: short stacking energy: -422.302 Base-Backbone interact. energy: -0.777 local terms energy: -590.827335 where: bonds (distance) C4'-P energy: -126.338 bonds (distance) P-C4' energy: -132.196 flat angles C4'-P-C4' energy: -145.689 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -97.645 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: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1429.036379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.036379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.036379 (E_RNA) where: Base-Base interactions energy: -877.535 where: short stacking energy: -379.710 Base-Backbone interact. energy: -3.831 local terms energy: -547.670756 where: bonds (distance) C4'-P energy: -120.106 bonds (distance) P-C4' energy: -140.226 flat angles C4'-P-C4' energy: -132.815 flat angles P-C4'-P energy: -75.070 tors. eta vs tors. theta energy: -79.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -986.330324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.330324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.330324 (E_RNA) where: Base-Base interactions energy: -503.078 where: short stacking energy: -267.008 Base-Backbone interact. energy: -0.905 local terms energy: -482.347868 where: bonds (distance) C4'-P energy: -133.186 bonds (distance) P-C4' energy: -138.732 flat angles C4'-P-C4' energy: -120.899 flat angles P-C4'-P energy: -63.656 tors. eta vs tors. theta energy: -25.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -698.406057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.406057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.406057 (E_RNA) where: Base-Base interactions energy: -280.429 where: short stacking energy: -152.047 Base-Backbone interact. energy: -1.023 local terms energy: -416.953907 where: bonds (distance) C4'-P energy: -133.563 bonds (distance) P-C4' energy: -129.194 flat angles C4'-P-C4' energy: -102.594 flat angles P-C4'-P energy: -71.947 tors. eta vs tors. theta energy: 20.344 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: 93 Temperature: 1.350000 Total energy: -566.079481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.079481 (E_RNA) where: Base-Base interactions energy: -194.408 where: short stacking energy: -148.766 Base-Backbone interact. energy: -1.232 local terms energy: -370.439280 where: bonds (distance) C4'-P energy: -126.838 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -49.313 tors. eta vs tors. theta energy: 37.448 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: 94 Temperature: 0.900000 Total energy: -2455.221956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.221956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.221956 (E_RNA) where: Base-Base interactions energy: -1666.266 where: short stacking energy: -712.232 Base-Backbone interact. energy: -4.593 local terms energy: -784.363006 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -145.297 flat angles C4'-P-C4' energy: -178.745 flat angles P-C4'-P energy: -99.615 tors. eta vs tors. theta energy: -210.293 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: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2404.385971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.385971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.385971 (E_RNA) where: Base-Base interactions energy: -1596.819 where: short stacking energy: -702.670 Base-Backbone interact. energy: -2.293 local terms energy: -805.273914 where: bonds (distance) C4'-P energy: -157.130 bonds (distance) P-C4' energy: -143.216 flat angles C4'-P-C4' energy: -174.452 flat angles P-C4'-P energy: -113.781 tors. eta vs tors. theta energy: -216.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2281.460115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.460115 (E_RNA) where: Base-Base interactions energy: -1533.148 where: short stacking energy: -672.319 Base-Backbone interact. energy: -2.626 local terms energy: -745.686225 where: bonds (distance) C4'-P energy: -144.846 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -157.910 flat angles P-C4'-P energy: -117.216 tors. eta vs tors. theta energy: -200.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2081.279390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.279390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.279390 (E_RNA) where: Base-Base interactions energy: -1370.108 where: short stacking energy: -572.753 Base-Backbone interact. energy: -0.402 local terms energy: -710.769987 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -170.920 flat angles P-C4'-P energy: -91.079 tors. eta vs tors. theta energy: -163.690 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: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1989.504710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.504710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.504710 (E_RNA) where: Base-Base interactions energy: -1327.403 where: short stacking energy: -573.087 Base-Backbone interact. energy: 5.086 local terms energy: -667.186933 where: bonds (distance) C4'-P energy: -138.773 bonds (distance) P-C4' energy: -132.125 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -87.573 tors. eta vs tors. theta energy: -151.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1603.006219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.006219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.006219 (E_RNA) where: Base-Base interactions energy: -971.282 where: short stacking energy: -489.878 Base-Backbone interact. energy: -1.451 local terms energy: -630.273482 where: bonds (distance) C4'-P energy: -125.631 bonds (distance) P-C4' energy: -148.939 flat angles C4'-P-C4' energy: -139.775 flat angles P-C4'-P energy: -96.160 tors. eta vs tors. theta energy: -119.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1515.339395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.339395 (E_RNA) where: Base-Base interactions energy: -943.509 where: short stacking energy: -429.717 Base-Backbone interact. energy: -4.368 local terms energy: -567.461865 where: bonds (distance) C4'-P energy: -105.471 bonds (distance) P-C4' energy: -121.968 flat angles C4'-P-C4' energy: -148.338 flat angles P-C4'-P energy: -104.574 tors. eta vs tors. theta energy: -87.111 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: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1007.346426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.346426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.346426 (E_RNA) where: Base-Base interactions energy: -543.825 where: short stacking energy: -279.912 Base-Backbone interact. energy: -0.240 local terms energy: -463.281499 where: bonds (distance) C4'-P energy: -127.736 bonds (distance) P-C4' energy: -119.117 flat angles C4'-P-C4' energy: -135.296 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -27.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -709.079226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.079226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.079226 (E_RNA) where: Base-Base interactions energy: -310.918 where: short stacking energy: -217.978 Base-Backbone interact. energy: -1.610 local terms energy: -396.550691 where: bonds (distance) C4'-P energy: -110.452 bonds (distance) P-C4' energy: -121.696 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -65.367 tors. eta vs tors. theta energy: 8.165 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: 94 Temperature: 1.350000 Total energy: -604.876425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.876425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.876425 (E_RNA) where: Base-Base interactions energy: -235.476 where: short stacking energy: -171.483 Base-Backbone interact. energy: 2.202 local terms energy: -371.602698 where: bonds (distance) C4'-P energy: -107.946 bonds (distance) P-C4' energy: -137.447 flat angles C4'-P-C4' energy: -87.839 flat angles P-C4'-P energy: -58.038 tors. eta vs tors. theta energy: 19.668 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: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2459.738528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.738528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.738528 (E_RNA) where: Base-Base interactions energy: -1668.205 where: short stacking energy: -733.919 Base-Backbone interact. energy: -5.510 local terms energy: -786.022630 where: bonds (distance) C4'-P energy: -151.400 bonds (distance) P-C4' energy: -141.108 flat angles C4'-P-C4' energy: -176.002 flat angles P-C4'-P energy: -105.903 tors. eta vs tors. theta energy: -211.609 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: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2368.517147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.517147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.517147 (E_RNA) where: Base-Base interactions energy: -1598.345 where: short stacking energy: -695.231 Base-Backbone interact. energy: 0.992 local terms energy: -771.163582 where: bonds (distance) C4'-P energy: -142.588 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -171.926 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -202.958 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: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2246.343188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.343188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.343188 (E_RNA) where: Base-Base interactions energy: -1504.356 where: short stacking energy: -639.178 Base-Backbone interact. energy: -0.457 local terms energy: -741.530609 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -142.458 flat angles C4'-P-C4' energy: -151.618 flat angles P-C4'-P energy: -103.293 tors. eta vs tors. theta energy: -203.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2115.669900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.669900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.669900 (E_RNA) where: Base-Base interactions energy: -1403.817 where: short stacking energy: -581.482 Base-Backbone interact. energy: -1.750 local terms energy: -710.103133 where: bonds (distance) C4'-P energy: -130.003 bonds (distance) P-C4' energy: -150.925 flat angles C4'-P-C4' energy: -155.246 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -166.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2036.596945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.596945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.596945 (E_RNA) where: Base-Base interactions energy: -1368.239 where: short stacking energy: -591.904 Base-Backbone interact. energy: -2.366 local terms energy: -665.991628 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -134.466 flat angles P-C4'-P energy: -108.708 tors. eta vs tors. theta energy: -164.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1571.279988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.279988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.279988 (E_RNA) where: Base-Base interactions energy: -982.132 where: short stacking energy: -441.785 Base-Backbone interact. energy: 2.234 local terms energy: -591.382789 where: bonds (distance) C4'-P energy: -134.673 bonds (distance) P-C4' energy: -128.558 flat angles C4'-P-C4' energy: -142.980 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -105.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1496.460394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.460394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.460394 (E_RNA) where: Base-Base interactions energy: -933.649 where: short stacking energy: -412.725 Base-Backbone interact. energy: 0.701 local terms energy: -563.511927 where: bonds (distance) C4'-P energy: -140.314 bonds (distance) P-C4' energy: -130.946 flat angles C4'-P-C4' energy: -136.483 flat angles P-C4'-P energy: -64.730 tors. eta vs tors. theta energy: -91.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1009.805332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.805332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.805332 (E_RNA) where: Base-Base interactions energy: -517.135 where: short stacking energy: -290.065 Base-Backbone interact. energy: 0.972 local terms energy: -493.642348 where: bonds (distance) C4'-P energy: -143.133 bonds (distance) P-C4' energy: -130.305 flat angles C4'-P-C4' energy: -136.516 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -18.598 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: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -783.148958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.148958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.148958 (E_RNA) where: Base-Base interactions energy: -377.235 where: short stacking energy: -198.965 Base-Backbone interact. energy: -1.198 local terms energy: -404.715859 where: bonds (distance) C4'-P energy: -112.674 bonds (distance) P-C4' energy: -118.538 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -69.391 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: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -554.082612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.082612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.082612 (E_RNA) where: Base-Base interactions energy: -193.669 where: short stacking energy: -156.906 Base-Backbone interact. energy: -0.825 local terms energy: -359.588229 where: bonds (distance) C4'-P energy: -101.360 bonds (distance) P-C4' energy: -128.777 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -40.944 tors. eta vs tors. theta energy: 20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2455.258061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.258061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.258061 (E_RNA) where: Base-Base interactions energy: -1679.752 where: short stacking energy: -700.702 Base-Backbone interact. energy: -4.311 local terms energy: -771.194605 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -167.473 flat angles P-C4'-P energy: -107.406 tors. eta vs tors. theta energy: -198.305 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: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2389.997443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.997443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.997443 (E_RNA) where: Base-Base interactions energy: -1605.362 where: short stacking energy: -701.891 Base-Backbone interact. energy: -0.483 local terms energy: -784.152426 where: bonds (distance) C4'-P energy: -145.212 bonds (distance) P-C4' energy: -152.089 flat angles C4'-P-C4' energy: -181.982 flat angles P-C4'-P energy: -105.924 tors. eta vs tors. theta energy: -198.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2280.224692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.224692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.224692 (E_RNA) where: Base-Base interactions energy: -1547.211 where: short stacking energy: -660.107 Base-Backbone interact. energy: -1.810 local terms energy: -731.203403 where: bonds (distance) C4'-P energy: -139.761 bonds (distance) P-C4' energy: -128.225 flat angles C4'-P-C4' energy: -165.597 flat angles P-C4'-P energy: -97.148 tors. eta vs tors. theta energy: -200.472 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: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2150.508563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.508563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.508563 (E_RNA) where: Base-Base interactions energy: -1441.114 where: short stacking energy: -613.275 Base-Backbone interact. energy: 0.032 local terms energy: -709.426859 where: bonds (distance) C4'-P energy: -146.221 bonds (distance) P-C4' energy: -132.159 flat angles C4'-P-C4' energy: -164.721 flat angles P-C4'-P energy: -87.856 tors. eta vs tors. theta energy: -178.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2074.024842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.024842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.024842 (E_RNA) where: Base-Base interactions energy: -1404.856 where: short stacking energy: -615.074 Base-Backbone interact. energy: -4.759 local terms energy: -664.409815 where: bonds (distance) C4'-P energy: -128.179 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -143.850 flat angles P-C4'-P energy: -96.845 tors. eta vs tors. theta energy: -159.135 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1612.377333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.377333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.377333 (E_RNA) where: Base-Base interactions energy: -1019.125 where: short stacking energy: -449.052 Base-Backbone interact. energy: 8.369 local terms energy: -601.621421 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -136.638 flat angles C4'-P-C4' energy: -134.108 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -114.245 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: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1579.800738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.800738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.800738 (E_RNA) where: Base-Base interactions energy: -989.910 where: short stacking energy: -445.645 Base-Backbone interact. energy: -2.258 local terms energy: -587.632217 where: bonds (distance) C4'-P energy: -133.089 bonds (distance) P-C4' energy: -126.021 flat angles C4'-P-C4' energy: -140.054 flat angles P-C4'-P energy: -94.052 tors. eta vs tors. theta energy: -94.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1017.848921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.848921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.848921 (E_RNA) where: Base-Base interactions energy: -564.280 where: short stacking energy: -299.495 Base-Backbone interact. energy: 4.370 local terms energy: -457.938937 where: bonds (distance) C4'-P energy: -113.699 bonds (distance) P-C4' energy: -135.445 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -64.697 tors. eta vs tors. theta energy: -28.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -813.591864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.591864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.591864 (E_RNA) where: Base-Base interactions energy: -367.580 where: short stacking energy: -237.525 Base-Backbone interact. energy: 1.101 local terms energy: -447.113048 where: bonds (distance) C4'-P energy: -129.064 bonds (distance) P-C4' energy: -137.094 flat angles C4'-P-C4' energy: -129.909 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: 1.066 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: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -556.474395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.474395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.474395 (E_RNA) where: Base-Base interactions energy: -169.271 where: short stacking energy: -146.837 Base-Backbone interact. energy: 2.891 local terms energy: -390.094921 where: bonds (distance) C4'-P energy: -112.557 bonds (distance) P-C4' energy: -125.874 flat angles C4'-P-C4' energy: -95.568 flat angles P-C4'-P energy: -71.781 tors. eta vs tors. theta energy: 15.686 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: 97 Temperature: 0.900000 Total energy: -2462.988321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.988321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.988321 (E_RNA) where: Base-Base interactions energy: -1655.821 where: short stacking energy: -740.565 Base-Backbone interact. energy: -4.961 local terms energy: -802.206302 where: bonds (distance) C4'-P energy: -153.071 bonds (distance) P-C4' energy: -147.174 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -120.016 tors. eta vs tors. theta energy: -211.085 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: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2382.956539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.956539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.956539 (E_RNA) where: Base-Base interactions energy: -1624.687 where: short stacking energy: -675.690 Base-Backbone interact. energy: -0.212 local terms energy: -758.057845 where: bonds (distance) C4'-P energy: -144.979 bonds (distance) P-C4' energy: -127.930 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -111.503 tors. eta vs tors. theta energy: -203.519 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: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2238.000545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.000545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.000545 (E_RNA) where: Base-Base interactions energy: -1509.087 where: short stacking energy: -662.095 Base-Backbone interact. energy: -3.860 local terms energy: -725.053542 where: bonds (distance) C4'-P energy: -137.241 bonds (distance) P-C4' energy: -130.256 flat angles C4'-P-C4' energy: -161.018 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -202.256 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: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2159.768694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.768694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.768694 (E_RNA) where: Base-Base interactions energy: -1454.359 where: short stacking energy: -629.344 Base-Backbone interact. energy: -0.224 local terms energy: -705.185768 where: bonds (distance) C4'-P energy: -129.370 bonds (distance) P-C4' energy: -137.312 flat angles C4'-P-C4' energy: -147.298 flat angles P-C4'-P energy: -104.898 tors. eta vs tors. theta energy: -186.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2064.979755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.979755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.979755 (E_RNA) where: Base-Base interactions energy: -1412.409 where: short stacking energy: -583.185 Base-Backbone interact. energy: 0.500 local terms energy: -653.070531 where: bonds (distance) C4'-P energy: -130.425 bonds (distance) P-C4' energy: -125.583 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -86.248 tors. eta vs tors. theta energy: -166.994 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: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1627.215889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.215889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.215889 (E_RNA) where: Base-Base interactions energy: -996.096 where: short stacking energy: -479.809 Base-Backbone interact. energy: 2.048 local terms energy: -633.167611 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -121.275 flat angles P-C4'-P energy: -87.686 tors. eta vs tors. theta energy: -124.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1563.662874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.662874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.662874 (E_RNA) where: Base-Base interactions energy: -1023.954 where: short stacking energy: -445.666 Base-Backbone interact. energy: 3.654 local terms energy: -543.363269 where: bonds (distance) C4'-P energy: -121.136 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -135.089 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -97.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -894.980452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.980452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.980452 (E_RNA) where: Base-Base interactions energy: -436.205 where: short stacking energy: -213.971 Base-Backbone interact. energy: 1.457 local terms energy: -460.231945 where: bonds (distance) C4'-P energy: -128.803 bonds (distance) P-C4' energy: -149.480 flat angles C4'-P-C4' energy: -119.612 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -7.559 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: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -891.947064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.947064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.947064 (E_RNA) where: Base-Base interactions energy: -445.469 where: short stacking energy: -255.876 Base-Backbone interact. energy: -0.816 local terms energy: -445.661984 where: bonds (distance) C4'-P energy: -119.096 bonds (distance) P-C4' energy: -135.883 flat angles C4'-P-C4' energy: -101.542 flat angles P-C4'-P energy: -75.718 tors. eta vs tors. theta energy: -13.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -536.876820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.876820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.876820 (E_RNA) where: Base-Base interactions energy: -173.798 where: short stacking energy: -136.482 Base-Backbone interact. energy: 0.824 local terms energy: -363.902852 where: bonds (distance) C4'-P energy: -113.477 bonds (distance) P-C4' energy: -131.672 flat angles C4'-P-C4' energy: -104.084 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: 30.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2469.421839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.421839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.421839 (E_RNA) where: Base-Base interactions energy: -1679.148 where: short stacking energy: -735.504 Base-Backbone interact. energy: -2.596 local terms energy: -787.677710 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -161.687 flat angles C4'-P-C4' energy: -171.620 flat angles P-C4'-P energy: -114.825 tors. eta vs tors. theta energy: -199.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2398.943520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.943520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.943520 (E_RNA) where: Base-Base interactions energy: -1591.724 where: short stacking energy: -692.560 Base-Backbone interact. energy: -1.693 local terms energy: -805.526157 where: bonds (distance) C4'-P energy: -166.985 bonds (distance) P-C4' energy: -149.115 flat angles C4'-P-C4' energy: -169.958 flat angles P-C4'-P energy: -116.970 tors. eta vs tors. theta energy: -202.498 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2257.193397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.193397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.193397 (E_RNA) where: Base-Base interactions energy: -1494.692 where: short stacking energy: -643.998 Base-Backbone interact. energy: -2.391 local terms energy: -760.110636 where: bonds (distance) C4'-P energy: -141.701 bonds (distance) P-C4' energy: -148.177 flat angles C4'-P-C4' energy: -161.600 flat angles P-C4'-P energy: -118.919 tors. eta vs tors. theta energy: -189.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2135.504006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.504006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.504006 (E_RNA) where: Base-Base interactions energy: -1421.086 where: short stacking energy: -625.018 Base-Backbone interact. energy: -4.432 local terms energy: -709.985468 where: bonds (distance) C4'-P energy: -140.058 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -165.394 flat angles P-C4'-P energy: -100.333 tors. eta vs tors. theta energy: -174.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2084.996036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.996036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.996036 (E_RNA) where: Base-Base interactions energy: -1421.290 where: short stacking energy: -594.295 Base-Backbone interact. energy: -0.689 local terms energy: -663.017569 where: bonds (distance) C4'-P energy: -124.287 bonds (distance) P-C4' energy: -148.018 flat angles C4'-P-C4' energy: -146.856 flat angles P-C4'-P energy: -90.783 tors. eta vs tors. theta energy: -153.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1677.294835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.294835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.294835 (E_RNA) where: Base-Base interactions energy: -1046.589 where: short stacking energy: -495.097 Base-Backbone interact. energy: 0.189 local terms energy: -630.895015 where: bonds (distance) C4'-P energy: -133.871 bonds (distance) P-C4' energy: -136.948 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -77.183 tors. eta vs tors. theta energy: -134.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1521.998989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.998989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.998989 (E_RNA) where: Base-Base interactions energy: -996.326 where: short stacking energy: -405.059 Base-Backbone interact. energy: -3.084 local terms energy: -522.588984 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -130.045 flat angles P-C4'-P energy: -89.085 tors. eta vs tors. theta energy: -75.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -827.200801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.200801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.200801 (E_RNA) where: Base-Base interactions energy: -403.246 where: short stacking energy: -227.212 Base-Backbone interact. energy: 3.932 local terms energy: -427.886810 where: bonds (distance) C4'-P energy: -139.089 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -120.653 flat angles P-C4'-P energy: -51.076 tors. eta vs tors. theta energy: 9.108 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -868.994594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.994594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.994594 (E_RNA) where: Base-Base interactions energy: -425.903 where: short stacking energy: -219.948 Base-Backbone interact. energy: -0.342 local terms energy: -442.750188 where: bonds (distance) C4'-P energy: -123.542 bonds (distance) P-C4' energy: -130.849 flat angles C4'-P-C4' energy: -107.723 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -552.090480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.090480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.090480 (E_RNA) where: Base-Base interactions energy: -210.150 where: short stacking energy: -155.527 Base-Backbone interact. energy: 5.491 local terms energy: -347.431856 where: bonds (distance) C4'-P energy: -115.963 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -96.465 flat angles P-C4'-P energy: -63.240 tors. eta vs tors. theta energy: 48.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2457.728953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.728953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.728953 (E_RNA) where: Base-Base interactions energy: -1674.707 where: short stacking energy: -723.341 Base-Backbone interact. energy: -3.011 local terms energy: -780.010523 where: bonds (distance) C4'-P energy: -147.255 bonds (distance) P-C4' energy: -162.299 flat angles C4'-P-C4' energy: -172.790 flat angles P-C4'-P energy: -94.789 tors. eta vs tors. theta energy: -202.876 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: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2372.877196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.877196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.877196 (E_RNA) where: Base-Base interactions energy: -1636.685 where: short stacking energy: -702.707 Base-Backbone interact. energy: 1.808 local terms energy: -738.000023 where: bonds (distance) C4'-P energy: -149.430 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -157.162 flat angles P-C4'-P energy: -103.992 tors. eta vs tors. theta energy: -207.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2327.212969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.212969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.212969 (E_RNA) where: Base-Base interactions energy: -1541.434 where: short stacking energy: -658.089 Base-Backbone interact. energy: -0.713 local terms energy: -785.065104 where: bonds (distance) C4'-P energy: -140.372 bonds (distance) P-C4' energy: -145.862 flat angles C4'-P-C4' energy: -176.853 flat angles P-C4'-P energy: -111.404 tors. eta vs tors. theta energy: -210.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2175.357652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.357652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.357652 (E_RNA) where: Base-Base interactions energy: -1481.151 where: short stacking energy: -617.283 Base-Backbone interact. energy: -1.243 local terms energy: -692.963459 where: bonds (distance) C4'-P energy: -141.383 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -154.981 flat angles P-C4'-P energy: -89.301 tors. eta vs tors. theta energy: -170.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2061.595954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.595954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.595954 (E_RNA) where: Base-Base interactions energy: -1379.408 where: short stacking energy: -598.446 Base-Backbone interact. energy: -1.559 local terms energy: -680.627995 where: bonds (distance) C4'-P energy: -128.025 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -94.659 tors. eta vs tors. theta energy: -175.619 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: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1623.564535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.564535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.564535 (E_RNA) where: Base-Base interactions energy: -1033.111 where: short stacking energy: -443.627 Base-Backbone interact. energy: -0.616 local terms energy: -589.837201 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -119.597 flat angles C4'-P-C4' energy: -141.237 flat angles P-C4'-P energy: -91.254 tors. eta vs tors. theta energy: -99.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1555.092821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.092821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.092821 (E_RNA) where: Base-Base interactions energy: -954.862 where: short stacking energy: -432.532 Base-Backbone interact. energy: 1.550 local terms energy: -601.780958 where: bonds (distance) C4'-P energy: -119.384 bonds (distance) P-C4' energy: -147.712 flat angles C4'-P-C4' energy: -144.103 flat angles P-C4'-P energy: -86.692 tors. eta vs tors. theta energy: -103.891 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: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1004.638114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.638114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.638114 (E_RNA) where: Base-Base interactions energy: -535.062 where: short stacking energy: -312.066 Base-Backbone interact. energy: 1.493 local terms energy: -471.069421 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -86.854 tors. eta vs tors. theta energy: -32.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -801.662670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.662670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.662670 (E_RNA) where: Base-Base interactions energy: -421.481 where: short stacking energy: -252.396 Base-Backbone interact. energy: 2.846 local terms energy: -383.027680 where: bonds (distance) C4'-P energy: -129.508 bonds (distance) P-C4' energy: -81.750 flat angles C4'-P-C4' energy: -112.665 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: 2.077 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: 99 Temperature: 1.350000 Total energy: -586.606865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.606865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.606865 (E_RNA) where: Base-Base interactions energy: -192.228 where: short stacking energy: -157.501 Base-Backbone interact. energy: -3.764 local terms energy: -390.615454 where: bonds (distance) C4'-P energy: -115.704 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -106.126 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: 30.499 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: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2440.887568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.887568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.887568 (E_RNA) where: Base-Base interactions energy: -1646.758 where: short stacking energy: -695.935 Base-Backbone interact. energy: -3.903 local terms energy: -790.226508 where: bonds (distance) C4'-P energy: -158.000 bonds (distance) P-C4' energy: -163.886 flat angles C4'-P-C4' energy: -154.829 flat angles P-C4'-P energy: -126.233 tors. eta vs tors. theta energy: -187.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2383.309925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.309925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.309925 (E_RNA) where: Base-Base interactions energy: -1614.544 where: short stacking energy: -673.243 Base-Backbone interact. energy: -3.361 local terms energy: -765.404934 where: bonds (distance) C4'-P energy: -151.825 bonds (distance) P-C4' energy: -144.971 flat angles C4'-P-C4' energy: -157.774 flat angles P-C4'-P energy: -102.326 tors. eta vs tors. theta energy: -208.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2368.062082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.062082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.062082 (E_RNA) where: Base-Base interactions energy: -1631.447 where: short stacking energy: -688.735 Base-Backbone interact. energy: 2.995 local terms energy: -739.610277 where: bonds (distance) C4'-P energy: -121.337 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -163.991 flat angles P-C4'-P energy: -106.762 tors. eta vs tors. theta energy: -205.583 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: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2173.843335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.843335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.843335 (E_RNA) where: Base-Base interactions energy: -1487.750 where: short stacking energy: -601.287 Base-Backbone interact. energy: -2.910 local terms energy: -683.183164 where: bonds (distance) C4'-P energy: -125.853 bonds (distance) P-C4' energy: -131.554 flat angles C4'-P-C4' energy: -151.040 flat angles P-C4'-P energy: -103.626 tors. eta vs tors. theta energy: -171.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2077.023796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.023796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.023796 (E_RNA) where: Base-Base interactions energy: -1417.717 where: short stacking energy: -618.074 Base-Backbone interact. energy: -1.335 local terms energy: -657.971223 where: bonds (distance) C4'-P energy: -142.451 bonds (distance) P-C4' energy: -127.252 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -82.648 tors. eta vs tors. theta energy: -162.955 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: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1603.823570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.823570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.823570 (E_RNA) where: Base-Base interactions energy: -1017.393 where: short stacking energy: -427.670 Base-Backbone interact. energy: -0.531 local terms energy: -585.899984 where: bonds (distance) C4'-P energy: -130.467 bonds (distance) P-C4' energy: -142.454 flat angles C4'-P-C4' energy: -135.219 flat angles P-C4'-P energy: -66.107 tors. eta vs tors. theta energy: -111.652 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: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1456.436231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.436231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.436231 (E_RNA) where: Base-Base interactions energy: -908.357 where: short stacking energy: -439.010 Base-Backbone interact. energy: 4.023 local terms energy: -552.102515 where: bonds (distance) C4'-P energy: -102.505 bonds (distance) P-C4' energy: -144.182 flat angles C4'-P-C4' energy: -134.403 flat angles P-C4'-P energy: -71.324 tors. eta vs tors. theta energy: -99.689 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: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1008.446066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.446066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.446066 (E_RNA) where: Base-Base interactions energy: -532.621 where: short stacking energy: -305.773 Base-Backbone interact. energy: -0.783 local terms energy: -475.042465 where: bonds (distance) C4'-P energy: -126.529 bonds (distance) P-C4' energy: -143.668 flat angles C4'-P-C4' energy: -118.863 flat angles P-C4'-P energy: -64.150 tors. eta vs tors. theta energy: -21.832 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: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -747.819671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.819671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.819671 (E_RNA) where: Base-Base interactions energy: -355.852 where: short stacking energy: -190.050 Base-Backbone interact. energy: -0.494 local terms energy: -391.473296 where: bonds (distance) C4'-P energy: -106.104 bonds (distance) P-C4' energy: -127.435 flat angles C4'-P-C4' energy: -109.236 flat angles P-C4'-P energy: -64.108 tors. eta vs tors. theta energy: 15.410 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: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -555.072591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.072591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.072591 (E_RNA) where: Base-Base interactions energy: -216.652 where: short stacking energy: -161.054 Base-Backbone interact. energy: -2.309 local terms energy: -336.111510 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -129.034 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: 44.066 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: 101 Temperature: 0.900000 Total energy: -2462.959703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.959703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.959703 (E_RNA) where: Base-Base interactions energy: -1663.239 where: short stacking energy: -723.967 Base-Backbone interact. energy: 3.629 local terms energy: -803.349803 where: bonds (distance) C4'-P energy: -157.949 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -177.392 flat angles P-C4'-P energy: -112.100 tors. eta vs tors. theta energy: -200.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2445.399990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.399990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.399990 (E_RNA) where: Base-Base interactions energy: -1631.305 where: short stacking energy: -682.170 Base-Backbone interact. energy: -0.604 local terms energy: -813.491204 where: bonds (distance) C4'-P energy: -149.539 bonds (distance) P-C4' energy: -149.181 flat angles C4'-P-C4' energy: -174.281 flat angles P-C4'-P energy: -122.005 tors. eta vs tors. theta energy: -218.485 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: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2344.660407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.660407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.660407 (E_RNA) where: Base-Base interactions energy: -1601.034 where: short stacking energy: -656.740 Base-Backbone interact. energy: 2.348 local terms energy: -745.975289 where: bonds (distance) C4'-P energy: -142.226 bonds (distance) P-C4' energy: -130.884 flat angles C4'-P-C4' energy: -167.307 flat angles P-C4'-P energy: -105.250 tors. eta vs tors. theta energy: -200.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2210.109365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.109365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.109365 (E_RNA) where: Base-Base interactions energy: -1498.119 where: short stacking energy: -629.673 Base-Backbone interact. energy: -2.897 local terms energy: -709.094125 where: bonds (distance) C4'-P energy: -135.609 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -155.618 flat angles P-C4'-P energy: -94.956 tors. eta vs tors. theta energy: -180.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2045.396166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.396166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.396166 (E_RNA) where: Base-Base interactions energy: -1366.798 where: short stacking energy: -573.905 Base-Backbone interact. energy: -0.928 local terms energy: -677.670576 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -98.598 tors. eta vs tors. theta energy: -170.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1540.988970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.988970 (E_RNA) where: Base-Base interactions energy: -962.821 where: short stacking energy: -419.766 Base-Backbone interact. energy: -1.720 local terms energy: -576.448011 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -139.147 flat angles C4'-P-C4' energy: -143.681 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -99.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1423.919861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.919861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.919861 (E_RNA) where: Base-Base interactions energy: -845.946 where: short stacking energy: -377.594 Base-Backbone interact. energy: -2.105 local terms energy: -575.869070 where: bonds (distance) C4'-P energy: -141.583 bonds (distance) P-C4' energy: -130.263 flat angles C4'-P-C4' energy: -122.398 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -93.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1019.581028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.581028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.581028 (E_RNA) where: Base-Base interactions energy: -520.684 where: short stacking energy: -283.801 Base-Backbone interact. energy: 4.478 local terms energy: -503.375347 where: bonds (distance) C4'-P energy: -128.654 bonds (distance) P-C4' energy: -129.738 flat angles C4'-P-C4' energy: -133.139 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -37.769 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: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -737.092999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.092999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.092999 (E_RNA) where: Base-Base interactions energy: -315.295 where: short stacking energy: -199.232 Base-Backbone interact. energy: -0.794 local terms energy: -421.003963 where: bonds (distance) C4'-P energy: -116.302 bonds (distance) P-C4' energy: -106.218 flat angles C4'-P-C4' energy: -129.608 flat angles P-C4'-P energy: -79.484 tors. eta vs tors. theta energy: 10.608 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: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -591.955544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.955544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.955544 (E_RNA) where: Base-Base interactions energy: -192.801 where: short stacking energy: -148.114 Base-Backbone interact. energy: 0.267 local terms energy: -399.421615 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -129.145 flat angles C4'-P-C4' energy: -100.127 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2498.567053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.567053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.567053 (E_RNA) where: Base-Base interactions energy: -1703.497 where: short stacking energy: -735.401 Base-Backbone interact. energy: 2.709 local terms energy: -797.778684 where: bonds (distance) C4'-P energy: -164.511 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -173.450 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -226.247 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: 102 Temperature: 0.950000 Total energy: -2428.723534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.723534 (E_RNA) where: Base-Base interactions energy: -1637.070 where: short stacking energy: -684.746 Base-Backbone interact. energy: -4.173 local terms energy: -787.481186 where: bonds (distance) C4'-P energy: -146.972 bonds (distance) P-C4' energy: -157.528 flat angles C4'-P-C4' energy: -163.459 flat angles P-C4'-P energy: -114.739 tors. eta vs tors. theta energy: -204.784 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: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2385.372018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.372018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.372018 (E_RNA) where: Base-Base interactions energy: -1638.775 where: short stacking energy: -706.954 Base-Backbone interact. energy: -0.508 local terms energy: -746.089784 where: bonds (distance) C4'-P energy: -133.879 bonds (distance) P-C4' energy: -123.895 flat angles C4'-P-C4' energy: -168.763 flat angles P-C4'-P energy: -111.534 tors. eta vs tors. theta energy: -208.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2177.665130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.665130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.665130 (E_RNA) where: Base-Base interactions energy: -1488.926 where: short stacking energy: -644.786 Base-Backbone interact. energy: -0.765 local terms energy: -687.974629 where: bonds (distance) C4'-P energy: -142.735 bonds (distance) P-C4' energy: -139.089 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -92.480 tors. eta vs tors. theta energy: -166.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2087.598251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.598251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.598251 (E_RNA) where: Base-Base interactions energy: -1402.785 where: short stacking energy: -588.316 Base-Backbone interact. energy: -4.923 local terms energy: -679.890505 where: bonds (distance) C4'-P energy: -146.750 bonds (distance) P-C4' energy: -143.295 flat angles C4'-P-C4' energy: -152.670 flat angles P-C4'-P energy: -89.368 tors. eta vs tors. theta energy: -147.808 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: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1609.169005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.169005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.169005 (E_RNA) where: Base-Base interactions energy: -1023.322 where: short stacking energy: -446.299 Base-Backbone interact. energy: -1.350 local terms energy: -584.496720 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -133.862 flat angles C4'-P-C4' energy: -141.879 flat angles P-C4'-P energy: -90.784 tors. eta vs tors. theta energy: -101.402 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: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1458.201442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.201442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.201442 (E_RNA) where: Base-Base interactions energy: -898.331 where: short stacking energy: -440.873 Base-Backbone interact. energy: 4.395 local terms energy: -564.265631 where: bonds (distance) C4'-P energy: -130.460 bonds (distance) P-C4' energy: -116.916 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -94.764 tors. eta vs tors. theta energy: -100.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1022.231923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.231923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.231923 (E_RNA) where: Base-Base interactions energy: -532.780 where: short stacking energy: -294.522 Base-Backbone interact. energy: -2.779 local terms energy: -486.673047 where: bonds (distance) C4'-P energy: -130.075 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -106.137 flat angles P-C4'-P energy: -87.754 tors. eta vs tors. theta energy: -36.285 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: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -711.108620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.108620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.108620 (E_RNA) where: Base-Base interactions energy: -298.836 where: short stacking energy: -195.172 Base-Backbone interact. energy: -3.925 local terms energy: -408.347649 where: bonds (distance) C4'-P energy: -119.844 bonds (distance) P-C4' energy: -124.007 flat angles C4'-P-C4' energy: -103.839 flat angles P-C4'-P energy: -73.927 tors. eta vs tors. theta energy: 13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -542.135065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.135065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.135065 (E_RNA) where: Base-Base interactions energy: -196.828 where: short stacking energy: -164.880 Base-Backbone interact. energy: 1.164 local terms energy: -346.471019 where: bonds (distance) C4'-P energy: -107.583 bonds (distance) P-C4' energy: -121.469 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: 23.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2474.431338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.431338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.431338 (E_RNA) where: Base-Base interactions energy: -1683.276 where: short stacking energy: -695.578 Base-Backbone interact. energy: -0.354 local terms energy: -790.801474 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -167.522 flat angles P-C4'-P energy: -114.213 tors. eta vs tors. theta energy: -210.434 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: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2359.231149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.231149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.231149 (E_RNA) where: Base-Base interactions energy: -1600.384 where: short stacking energy: -689.018 Base-Backbone interact. energy: 2.136 local terms energy: -760.983811 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -146.828 flat angles C4'-P-C4' energy: -176.248 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -192.086 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2398.376926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.376926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.376926 (E_RNA) where: Base-Base interactions energy: -1661.979 where: short stacking energy: -689.213 Base-Backbone interact. energy: -3.187 local terms energy: -733.210573 where: bonds (distance) C4'-P energy: -122.115 bonds (distance) P-C4' energy: -139.766 flat angles C4'-P-C4' energy: -162.068 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -201.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2137.638139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.638139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.638139 (E_RNA) where: Base-Base interactions energy: -1421.475 where: short stacking energy: -628.871 Base-Backbone interact. energy: 1.392 local terms energy: -717.554697 where: bonds (distance) C4'-P energy: -126.011 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -161.081 flat angles P-C4'-P energy: -110.083 tors. eta vs tors. theta energy: -175.265 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: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2092.309166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.309166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.309166 (E_RNA) where: Base-Base interactions energy: -1389.892 where: short stacking energy: -580.929 Base-Backbone interact. energy: 1.654 local terms energy: -704.071196 where: bonds (distance) C4'-P energy: -143.065 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -155.779 flat angles P-C4'-P energy: -97.253 tors. eta vs tors. theta energy: -167.396 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: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1568.229913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.229913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.229913 (E_RNA) where: Base-Base interactions energy: -990.788 where: short stacking energy: -428.629 Base-Backbone interact. energy: -1.714 local terms energy: -575.727395 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -129.377 flat angles C4'-P-C4' energy: -145.812 flat angles P-C4'-P energy: -82.872 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: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1454.450330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.450330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.450330 (E_RNA) where: Base-Base interactions energy: -906.930 where: short stacking energy: -392.465 Base-Backbone interact. energy: -2.531 local terms energy: -544.988990 where: bonds (distance) C4'-P energy: -136.284 bonds (distance) P-C4' energy: -125.287 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -83.451 tors. eta vs tors. theta energy: -88.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1077.906651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.906651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.906651 (E_RNA) where: Base-Base interactions energy: -607.265 where: short stacking energy: -285.249 Base-Backbone interact. energy: -2.917 local terms energy: -467.724968 where: bonds (distance) C4'-P energy: -129.075 bonds (distance) P-C4' energy: -135.226 flat angles C4'-P-C4' energy: -109.883 flat angles P-C4'-P energy: -58.368 tors. eta vs tors. theta energy: -35.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -733.231258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.231258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.231258 (E_RNA) where: Base-Base interactions energy: -330.345 where: short stacking energy: -192.403 Base-Backbone interact. energy: -3.112 local terms energy: -399.773593 where: bonds (distance) C4'-P energy: -123.472 bonds (distance) P-C4' energy: -123.656 flat angles C4'-P-C4' energy: -116.431 flat angles P-C4'-P energy: -59.610 tors. eta vs tors. theta energy: 23.395 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -567.788190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.788190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.788190 (E_RNA) where: Base-Base interactions energy: -201.414 where: short stacking energy: -156.061 Base-Backbone interact. energy: -3.623 local terms energy: -362.751878 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -111.984 flat angles C4'-P-C4' energy: -106.351 flat angles P-C4'-P energy: -58.933 tors. eta vs tors. theta energy: 25.783 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: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2513.201266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.201266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.201266 (E_RNA) where: Base-Base interactions energy: -1734.548 where: short stacking energy: -724.732 Base-Backbone interact. energy: 4.125 local terms energy: -782.778281 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -151.785 flat angles C4'-P-C4' energy: -172.954 flat angles P-C4'-P energy: -107.277 tors. eta vs tors. theta energy: -214.905 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: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2337.591777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.591777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.591777 (E_RNA) where: Base-Base interactions energy: -1583.109 where: short stacking energy: -670.522 Base-Backbone interact. energy: -2.816 local terms energy: -751.666905 where: bonds (distance) C4'-P energy: -142.076 bonds (distance) P-C4' energy: -159.037 flat angles C4'-P-C4' energy: -157.238 flat angles P-C4'-P energy: -109.169 tors. eta vs tors. theta energy: -184.146 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: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2329.248900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.248900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.248900 (E_RNA) where: Base-Base interactions energy: -1578.150 where: short stacking energy: -674.611 Base-Backbone interact. energy: -3.132 local terms energy: -747.967008 where: bonds (distance) C4'-P energy: -134.564 bonds (distance) P-C4' energy: -134.467 flat angles C4'-P-C4' energy: -159.420 flat angles P-C4'-P energy: -108.258 tors. eta vs tors. theta energy: -211.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2119.130715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.130715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.130715 (E_RNA) where: Base-Base interactions energy: -1452.949 where: short stacking energy: -607.417 Base-Backbone interact. energy: -0.130 local terms energy: -666.051623 where: bonds (distance) C4'-P energy: -123.181 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -153.798 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -160.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2103.202022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.202022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.202022 (E_RNA) where: Base-Base interactions energy: -1444.356 where: short stacking energy: -593.811 Base-Backbone interact. energy: 5.270 local terms energy: -664.115610 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -139.521 flat angles C4'-P-C4' energy: -147.729 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -164.749 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: 6, replica: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1565.382989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.382989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.382989 (E_RNA) where: Base-Base interactions energy: -989.099 where: short stacking energy: -422.512 Base-Backbone interact. energy: 1.935 local terms energy: -578.219097 where: bonds (distance) C4'-P energy: -122.443 bonds (distance) P-C4' energy: -147.331 flat angles C4'-P-C4' energy: -130.067 flat angles P-C4'-P energy: -92.828 tors. eta vs tors. theta energy: -85.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1465.554715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.554715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.554715 (E_RNA) where: Base-Base interactions energy: -913.816 where: short stacking energy: -419.617 Base-Backbone interact. energy: -0.295 local terms energy: -551.443894 where: bonds (distance) C4'-P energy: -121.780 bonds (distance) P-C4' energy: -137.800 flat angles C4'-P-C4' energy: -117.447 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: -98.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1152.643607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.643607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.643607 (E_RNA) where: Base-Base interactions energy: -661.258 where: short stacking energy: -343.790 Base-Backbone interact. energy: -3.136 local terms energy: -488.249494 where: bonds (distance) C4'-P energy: -113.226 bonds (distance) P-C4' energy: -125.801 flat angles C4'-P-C4' energy: -124.835 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -49.252 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: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -750.898668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.898668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.898668 (E_RNA) where: Base-Base interactions energy: -373.292 where: short stacking energy: -208.719 Base-Backbone interact. energy: 0.537 local terms energy: -378.143324 where: bonds (distance) C4'-P energy: -123.641 bonds (distance) P-C4' energy: -132.598 flat angles C4'-P-C4' energy: -92.554 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: 26.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -597.176859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.176859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.176859 (E_RNA) where: Base-Base interactions energy: -189.220 where: short stacking energy: -134.733 Base-Backbone interact. energy: -0.838 local terms energy: -407.118734 where: bonds (distance) C4'-P energy: -139.478 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -120.630 flat angles P-C4'-P energy: -65.425 tors. eta vs tors. theta energy: 42.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2481.864030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.864030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.864030 (E_RNA) where: Base-Base interactions energy: -1670.623 where: short stacking energy: -731.268 Base-Backbone interact. energy: -2.021 local terms energy: -809.219999 where: bonds (distance) C4'-P energy: -143.520 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -170.083 flat angles P-C4'-P energy: -108.434 tors. eta vs tors. theta energy: -230.289 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: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2440.954901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.954901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.954901 (E_RNA) where: Base-Base interactions energy: -1634.703 where: short stacking energy: -710.557 Base-Backbone interact. energy: -1.542 local terms energy: -804.710414 where: bonds (distance) C4'-P energy: -145.070 bonds (distance) P-C4' energy: -145.768 flat angles C4'-P-C4' energy: -183.554 flat angles P-C4'-P energy: -121.491 tors. eta vs tors. theta energy: -208.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2264.024278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.024278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.024278 (E_RNA) where: Base-Base interactions energy: -1527.844 where: short stacking energy: -645.147 Base-Backbone interact. energy: -1.025 local terms energy: -735.155832 where: bonds (distance) C4'-P energy: -137.192 bonds (distance) P-C4' energy: -132.390 flat angles C4'-P-C4' energy: -158.382 flat angles P-C4'-P energy: -116.876 tors. eta vs tors. theta energy: -190.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2128.986319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.986319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.986319 (E_RNA) where: Base-Base interactions energy: -1459.590 where: short stacking energy: -637.389 Base-Backbone interact. energy: -2.929 local terms energy: -666.467702 where: bonds (distance) C4'-P energy: -139.824 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -147.149 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: -187.018 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: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2097.726243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.726243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.726243 (E_RNA) where: Base-Base interactions energy: -1398.758 where: short stacking energy: -599.404 Base-Backbone interact. energy: -0.473 local terms energy: -698.495600 where: bonds (distance) C4'-P energy: -134.242 bonds (distance) P-C4' energy: -152.003 flat angles C4'-P-C4' energy: -156.172 flat angles P-C4'-P energy: -84.110 tors. eta vs tors. theta energy: -171.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1559.920069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.920069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.920069 (E_RNA) where: Base-Base interactions energy: -1002.280 where: short stacking energy: -412.983 Base-Backbone interact. energy: 5.209 local terms energy: -562.849194 where: bonds (distance) C4'-P energy: -132.584 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -133.201 flat angles P-C4'-P energy: -76.751 tors. eta vs tors. theta energy: -85.031 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1391.057930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.057930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.057930 (E_RNA) where: Base-Base interactions energy: -818.712 where: short stacking energy: -374.918 Base-Backbone interact. energy: -1.018 local terms energy: -571.328105 where: bonds (distance) C4'-P energy: -132.851 bonds (distance) P-C4' energy: -154.273 flat angles C4'-P-C4' energy: -130.380 flat angles P-C4'-P energy: -79.392 tors. eta vs tors. theta energy: -74.432 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: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1121.286512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.286512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.286512 (E_RNA) where: Base-Base interactions energy: -626.685 where: short stacking energy: -337.713 Base-Backbone interact. energy: -4.915 local terms energy: -489.687334 where: bonds (distance) C4'-P energy: -124.244 bonds (distance) P-C4' energy: -134.124 flat angles C4'-P-C4' energy: -112.401 flat angles P-C4'-P energy: -75.457 tors. eta vs tors. theta energy: -43.462 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: 9, replica: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -820.681618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.681618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.681618 (E_RNA) where: Base-Base interactions energy: -393.061 where: short stacking energy: -252.645 Base-Backbone interact. energy: -6.392 local terms energy: -421.228009 where: bonds (distance) C4'-P energy: -137.270 bonds (distance) P-C4' energy: -109.559 flat angles C4'-P-C4' energy: -101.515 flat angles P-C4'-P energy: -66.839 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -567.178636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.178636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.178636 (E_RNA) where: Base-Base interactions energy: -192.052 where: short stacking energy: -123.101 Base-Backbone interact. energy: -0.519 local terms energy: -374.607541 where: bonds (distance) C4'-P energy: -115.181 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: 32.098 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: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2485.752573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.752573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.752573 (E_RNA) where: Base-Base interactions energy: -1674.602 where: short stacking energy: -731.968 Base-Backbone interact. energy: -4.096 local terms energy: -807.054584 where: bonds (distance) C4'-P energy: -137.892 bonds (distance) P-C4' energy: -145.986 flat angles C4'-P-C4' energy: -175.166 flat angles P-C4'-P energy: -120.501 tors. eta vs tors. theta energy: -227.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2468.377302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.377302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.377302 (E_RNA) where: Base-Base interactions energy: -1680.875 where: short stacking energy: -729.700 Base-Backbone interact. energy: 1.885 local terms energy: -789.386930 where: bonds (distance) C4'-P energy: -158.139 bonds (distance) P-C4' energy: -135.593 flat angles C4'-P-C4' energy: -163.577 flat angles P-C4'-P energy: -107.811 tors. eta vs tors. theta energy: -224.267 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: 106 Temperature: 1.000000 Total energy: -2259.016722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.016722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.016722 (E_RNA) where: Base-Base interactions energy: -1526.495 where: short stacking energy: -664.767 Base-Backbone interact. energy: -0.381 local terms energy: -732.141047 where: bonds (distance) C4'-P energy: -141.237 bonds (distance) P-C4' energy: -142.274 flat angles C4'-P-C4' energy: -168.164 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -183.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2136.065060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.065060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.065060 (E_RNA) where: Base-Base interactions energy: -1474.531 where: short stacking energy: -635.411 Base-Backbone interact. energy: 0.025 local terms energy: -661.559830 where: bonds (distance) C4'-P energy: -111.866 bonds (distance) P-C4' energy: -129.274 flat angles C4'-P-C4' energy: -151.167 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -178.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2085.398280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.398280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.398280 (E_RNA) where: Base-Base interactions energy: -1411.268 where: short stacking energy: -586.972 Base-Backbone interact. energy: 2.458 local terms energy: -676.588696 where: bonds (distance) C4'-P energy: -134.897 bonds (distance) P-C4' energy: -115.004 flat angles C4'-P-C4' energy: -155.541 flat angles P-C4'-P energy: -104.116 tors. eta vs tors. theta energy: -167.031 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: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1647.588222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.588222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.588222 (E_RNA) where: Base-Base interactions energy: -1072.105 where: short stacking energy: -471.049 Base-Backbone interact. energy: -4.224 local terms energy: -571.259281 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -123.577 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -97.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1446.862696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.862696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.862696 (E_RNA) where: Base-Base interactions energy: -894.756 where: short stacking energy: -378.010 Base-Backbone interact. energy: -0.385 local terms energy: -551.722052 where: bonds (distance) C4'-P energy: -139.895 bonds (distance) P-C4' energy: -123.986 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -72.665 tors. eta vs tors. theta energy: -79.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1144.516744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.516744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.516744 (E_RNA) where: Base-Base interactions energy: -643.862 where: short stacking energy: -312.883 Base-Backbone interact. energy: -3.182 local terms energy: -497.472495 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -137.137 flat angles C4'-P-C4' energy: -132.225 flat angles P-C4'-P energy: -74.367 tors. eta vs tors. theta energy: -32.300 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: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -767.810630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.810630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.810630 (E_RNA) where: Base-Base interactions energy: -360.275 where: short stacking energy: -220.321 Base-Backbone interact. energy: -1.973 local terms energy: -405.563029 where: bonds (distance) C4'-P energy: -125.278 bonds (distance) P-C4' energy: -120.195 flat angles C4'-P-C4' energy: -106.838 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: 6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -613.168526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.168526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.168526 (E_RNA) where: Base-Base interactions energy: -220.762 where: short stacking energy: -169.626 Base-Backbone interact. energy: 2.052 local terms energy: -394.458049 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -119.001 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -75.540 tors. eta vs tors. theta energy: 18.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2524.696141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.696141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.696141 (E_RNA) where: Base-Base interactions energy: -1698.932 where: short stacking energy: -719.122 Base-Backbone interact. energy: -1.228 local terms energy: -824.536401 where: bonds (distance) C4'-P energy: -158.914 bonds (distance) P-C4' energy: -158.020 flat angles C4'-P-C4' energy: -171.657 flat angles P-C4'-P energy: -110.926 tors. eta vs tors. theta energy: -225.019 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: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2450.924557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.924557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.924557 (E_RNA) where: Base-Base interactions energy: -1656.407 where: short stacking energy: -706.980 Base-Backbone interact. energy: 0.104 local terms energy: -794.621442 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -165.682 flat angles C4'-P-C4' energy: -167.063 flat angles P-C4'-P energy: -96.606 tors. eta vs tors. theta energy: -218.548 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: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2254.654983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.654983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.654983 (E_RNA) where: Base-Base interactions energy: -1486.441 where: short stacking energy: -671.985 Base-Backbone interact. energy: -3.887 local terms energy: -764.327121 where: bonds (distance) C4'-P energy: -148.818 bonds (distance) P-C4' energy: -145.253 flat angles C4'-P-C4' energy: -168.116 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -205.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2154.125614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.125614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.125614 (E_RNA) where: Base-Base interactions energy: -1457.117 where: short stacking energy: -617.120 Base-Backbone interact. energy: -4.533 local terms energy: -692.474904 where: bonds (distance) C4'-P energy: -127.606 bonds (distance) P-C4' energy: -145.352 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -92.954 tors. eta vs tors. theta energy: -175.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2056.588269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.588269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.588269 (E_RNA) where: Base-Base interactions energy: -1372.644 where: short stacking energy: -579.793 Base-Backbone interact. energy: 3.792 local terms energy: -687.736460 where: bonds (distance) C4'-P energy: -128.972 bonds (distance) P-C4' energy: -130.853 flat angles C4'-P-C4' energy: -157.733 flat angles P-C4'-P energy: -103.771 tors. eta vs tors. theta energy: -166.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1633.649119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.649119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.649119 (E_RNA) where: Base-Base interactions energy: -1036.646 where: short stacking energy: -459.075 Base-Backbone interact. energy: 2.008 local terms energy: -599.011723 where: bonds (distance) C4'-P energy: -134.893 bonds (distance) P-C4' energy: -124.590 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -95.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1377.326194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.326194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.326194 (E_RNA) where: Base-Base interactions energy: -838.295 where: short stacking energy: -370.815 Base-Backbone interact. energy: -2.436 local terms energy: -536.594918 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -112.274 flat angles P-C4'-P energy: -85.308 tors. eta vs tors. theta energy: -87.392 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: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1109.712144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.712144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.712144 (E_RNA) where: Base-Base interactions energy: -617.690 where: short stacking energy: -323.006 Base-Backbone interact. energy: 6.335 local terms energy: -498.357956 where: bonds (distance) C4'-P energy: -115.294 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -121.179 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -46.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -728.037538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.037538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.037538 (E_RNA) where: Base-Base interactions energy: -356.986 where: short stacking energy: -196.473 Base-Backbone interact. energy: 2.358 local terms energy: -373.410139 where: bonds (distance) C4'-P energy: -96.709 bonds (distance) P-C4' energy: -127.650 flat angles C4'-P-C4' energy: -119.584 flat angles P-C4'-P energy: -50.487 tors. eta vs tors. theta energy: 21.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -558.283880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.283880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.283880 (E_RNA) where: Base-Base interactions energy: -170.608 where: short stacking energy: -133.217 Base-Backbone interact. energy: -2.475 local terms energy: -385.201489 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -119.237 flat angles C4'-P-C4' energy: -112.744 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: 54.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2512.355927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.355927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.355927 (E_RNA) where: Base-Base interactions energy: -1701.543 where: short stacking energy: -705.741 Base-Backbone interact. energy: -1.514 local terms energy: -809.299038 where: bonds (distance) C4'-P energy: -168.879 bonds (distance) P-C4' energy: -154.277 flat angles C4'-P-C4' energy: -168.406 flat angles P-C4'-P energy: -109.122 tors. eta vs tors. theta energy: -208.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2452.463444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.463444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.463444 (E_RNA) where: Base-Base interactions energy: -1658.238 where: short stacking energy: -718.999 Base-Backbone interact. energy: 0.601 local terms energy: -794.827209 where: bonds (distance) C4'-P energy: -146.167 bonds (distance) P-C4' energy: -144.654 flat angles C4'-P-C4' energy: -168.104 flat angles P-C4'-P energy: -106.383 tors. eta vs tors. theta energy: -229.520 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: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2260.997833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.997833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.997833 (E_RNA) where: Base-Base interactions energy: -1498.346 where: short stacking energy: -633.001 Base-Backbone interact. energy: -3.729 local terms energy: -758.922578 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -149.944 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -112.170 tors. eta vs tors. theta energy: -196.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2203.977259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.977259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.977259 (E_RNA) where: Base-Base interactions energy: -1497.786 where: short stacking energy: -629.718 Base-Backbone interact. energy: 2.295 local terms energy: -708.486015 where: bonds (distance) C4'-P energy: -146.276 bonds (distance) P-C4' energy: -135.119 flat angles C4'-P-C4' energy: -140.210 flat angles P-C4'-P energy: -105.802 tors. eta vs tors. theta energy: -181.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2058.661979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.661979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.661979 (E_RNA) where: Base-Base interactions energy: -1365.574 where: short stacking energy: -599.897 Base-Backbone interact. energy: -0.322 local terms energy: -692.766504 where: bonds (distance) C4'-P energy: -125.630 bonds (distance) P-C4' energy: -140.888 flat angles C4'-P-C4' energy: -149.908 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -179.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1629.301065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.301065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.301065 (E_RNA) where: Base-Base interactions energy: -1033.330 where: short stacking energy: -451.831 Base-Backbone interact. energy: 0.975 local terms energy: -596.945738 where: bonds (distance) C4'-P energy: -137.375 bonds (distance) P-C4' energy: -147.677 flat angles C4'-P-C4' energy: -128.585 flat angles P-C4'-P energy: -81.346 tors. eta vs tors. theta energy: -101.964 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1399.775253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.775253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.775253 (E_RNA) where: Base-Base interactions energy: -853.529 where: short stacking energy: -411.234 Base-Backbone interact. energy: 0.940 local terms energy: -547.186587 where: bonds (distance) C4'-P energy: -142.341 bonds (distance) P-C4' energy: -118.768 flat angles C4'-P-C4' energy: -140.031 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -92.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1106.691775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.691775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.691775 (E_RNA) where: Base-Base interactions energy: -653.540 where: short stacking energy: -300.467 Base-Backbone interact. energy: -2.122 local terms energy: -451.029491 where: bonds (distance) C4'-P energy: -126.697 bonds (distance) P-C4' energy: -124.257 flat angles C4'-P-C4' energy: -110.897 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: -22.033 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: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -695.916507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.916507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.916507 (E_RNA) where: Base-Base interactions energy: -310.217 where: short stacking energy: -205.304 Base-Backbone interact. energy: 11.758 local terms energy: -397.458061 where: bonds (distance) C4'-P energy: -106.798 bonds (distance) P-C4' energy: -118.957 flat angles C4'-P-C4' energy: -123.613 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: 11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -579.807773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.807773 (E_RNA) where: Base-Base interactions energy: -221.544 where: short stacking energy: -150.881 Base-Backbone interact. energy: 4.717 local terms energy: -362.981235 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -120.470 flat angles C4'-P-C4' energy: -112.242 flat angles P-C4'-P energy: -45.952 tors. eta vs tors. theta energy: 32.089 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2513.293372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.293372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.293372 (E_RNA) where: Base-Base interactions energy: -1692.287 where: short stacking energy: -721.072 Base-Backbone interact. energy: 1.828 local terms energy: -822.834467 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -162.470 flat angles C4'-P-C4' energy: -170.448 flat angles P-C4'-P energy: -120.208 tors. eta vs tors. theta energy: -219.692 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2437.960675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.960675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.960675 (E_RNA) where: Base-Base interactions energy: -1684.998 where: short stacking energy: -722.813 Base-Backbone interact. energy: 0.836 local terms energy: -753.798735 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -143.262 flat angles C4'-P-C4' energy: -167.085 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -211.237 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2247.418398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.418398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.418398 (E_RNA) where: Base-Base interactions energy: -1505.999 where: short stacking energy: -647.204 Base-Backbone interact. energy: -4.775 local terms energy: -736.644420 where: bonds (distance) C4'-P energy: -145.969 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -154.250 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -199.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2243.874106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.874106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.874106 (E_RNA) where: Base-Base interactions energy: -1550.424 where: short stacking energy: -633.695 Base-Backbone interact. energy: -1.751 local terms energy: -691.699000 where: bonds (distance) C4'-P energy: -145.299 bonds (distance) P-C4' energy: -125.540 flat angles C4'-P-C4' energy: -150.673 flat angles P-C4'-P energy: -91.134 tors. eta vs tors. theta energy: -179.053 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2024.169411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.169411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.169411 (E_RNA) where: Base-Base interactions energy: -1360.905 where: short stacking energy: -574.175 Base-Backbone interact. energy: 0.147 local terms energy: -663.411443 where: bonds (distance) C4'-P energy: -134.823 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -136.565 flat angles P-C4'-P energy: -88.605 tors. eta vs tors. theta energy: -159.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1720.143271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.143271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.143271 (E_RNA) where: Base-Base interactions energy: -1117.744 where: short stacking energy: -480.327 Base-Backbone interact. energy: -2.448 local terms energy: -599.950833 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -146.715 flat angles C4'-P-C4' energy: -126.421 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -105.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1368.710140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.710140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.710140 (E_RNA) where: Base-Base interactions energy: -822.019 where: short stacking energy: -419.867 Base-Backbone interact. energy: -0.557 local terms energy: -546.134290 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -132.098 flat angles P-C4'-P energy: -83.040 tors. eta vs tors. theta energy: -84.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1116.088663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.088663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.088663 (E_RNA) where: Base-Base interactions energy: -629.872 where: short stacking energy: -317.511 Base-Backbone interact. energy: -1.156 local terms energy: -485.060531 where: bonds (distance) C4'-P energy: -118.021 bonds (distance) P-C4' energy: -130.846 flat angles C4'-P-C4' energy: -123.311 flat angles P-C4'-P energy: -52.542 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: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -678.714406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.714406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.714406 (E_RNA) where: Base-Base interactions energy: -268.414 where: short stacking energy: -185.707 Base-Backbone interact. energy: 0.770 local terms energy: -411.070384 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -141.134 flat angles C4'-P-C4' energy: -126.268 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: 27.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -567.023633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.023633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.023633 (E_RNA) where: Base-Base interactions energy: -197.814 where: short stacking energy: -145.526 Base-Backbone interact. energy: -1.336 local terms energy: -367.873617 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -133.989 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: 44.124 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: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2507.637578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.637578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.637578 (E_RNA) where: Base-Base interactions energy: -1699.219 where: short stacking energy: -733.358 Base-Backbone interact. energy: 2.803 local terms energy: -811.221744 where: bonds (distance) C4'-P energy: -141.980 bonds (distance) P-C4' energy: -151.604 flat angles C4'-P-C4' energy: -168.254 flat angles P-C4'-P energy: -122.461 tors. eta vs tors. theta energy: -226.922 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: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2431.832806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.832806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.832806 (E_RNA) where: Base-Base interactions energy: -1649.812 where: short stacking energy: -721.529 Base-Backbone interact. energy: -1.364 local terms energy: -780.657659 where: bonds (distance) C4'-P energy: -146.412 bonds (distance) P-C4' energy: -148.170 flat angles C4'-P-C4' energy: -152.660 flat angles P-C4'-P energy: -119.323 tors. eta vs tors. theta energy: -214.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2231.214641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.214641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.214641 (E_RNA) where: Base-Base interactions energy: -1499.639 where: short stacking energy: -644.692 Base-Backbone interact. energy: -4.147 local terms energy: -727.428906 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -127.666 flat angles C4'-P-C4' energy: -167.555 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -191.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2220.221886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.221886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.221886 (E_RNA) where: Base-Base interactions energy: -1487.678 where: short stacking energy: -633.697 Base-Backbone interact. energy: 1.816 local terms energy: -734.359577 where: bonds (distance) C4'-P energy: -146.238 bonds (distance) P-C4' energy: -129.849 flat angles C4'-P-C4' energy: -158.305 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -193.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2059.082402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.082402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.082402 (E_RNA) where: Base-Base interactions energy: -1375.564 where: short stacking energy: -593.331 Base-Backbone interact. energy: 3.390 local terms energy: -686.908080 where: bonds (distance) C4'-P energy: -130.486 bonds (distance) P-C4' energy: -148.446 flat angles C4'-P-C4' energy: -142.500 flat angles P-C4'-P energy: -113.916 tors. eta vs tors. theta energy: -151.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1715.994325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.994325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.994325 (E_RNA) where: Base-Base interactions energy: -1118.666 where: short stacking energy: -479.447 Base-Backbone interact. energy: 0.464 local terms energy: -597.792188 where: bonds (distance) C4'-P energy: -130.964 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -133.176 flat angles P-C4'-P energy: -82.857 tors. eta vs tors. theta energy: -118.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1370.690602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.690602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.690602 (E_RNA) where: Base-Base interactions energy: -834.390 where: short stacking energy: -383.236 Base-Backbone interact. energy: -2.548 local terms energy: -533.752277 where: bonds (distance) C4'-P energy: -125.917 bonds (distance) P-C4' energy: -130.931 flat angles C4'-P-C4' energy: -119.444 flat angles P-C4'-P energy: -79.244 tors. eta vs tors. theta energy: -78.217 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: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1085.003015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.003015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.003015 (E_RNA) where: Base-Base interactions energy: -592.223 where: short stacking energy: -310.989 Base-Backbone interact. energy: 0.702 local terms energy: -493.481747 where: bonds (distance) C4'-P energy: -119.883 bonds (distance) P-C4' energy: -144.072 flat angles C4'-P-C4' energy: -126.039 flat angles P-C4'-P energy: -85.180 tors. eta vs tors. theta energy: -18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -733.188803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.188803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.188803 (E_RNA) where: Base-Base interactions energy: -336.412 where: short stacking energy: -227.386 Base-Backbone interact. energy: -3.235 local terms energy: -393.541958 where: bonds (distance) C4'-P energy: -112.683 bonds (distance) P-C4' energy: -115.724 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: 1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -547.702929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.702929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.702929 (E_RNA) where: Base-Base interactions energy: -210.576 where: short stacking energy: -157.163 Base-Backbone interact. energy: 9.399 local terms energy: -346.526643 where: bonds (distance) C4'-P energy: -112.786 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -93.773 flat angles P-C4'-P energy: -38.696 tors. eta vs tors. theta energy: 32.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2512.404611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.404611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.404611 (E_RNA) where: Base-Base interactions energy: -1713.363 where: short stacking energy: -742.240 Base-Backbone interact. energy: -3.123 local terms energy: -795.919158 where: bonds (distance) C4'-P energy: -141.785 bonds (distance) P-C4' energy: -136.099 flat angles C4'-P-C4' energy: -165.465 flat angles P-C4'-P energy: -123.540 tors. eta vs tors. theta energy: -229.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2469.568260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.568260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.568260 (E_RNA) where: Base-Base interactions energy: -1682.613 where: short stacking energy: -735.770 Base-Backbone interact. energy: -0.331 local terms energy: -786.624188 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -155.656 flat angles C4'-P-C4' energy: -172.029 flat angles P-C4'-P energy: -89.228 tors. eta vs tors. theta energy: -222.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2241.479523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.479523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.479523 (E_RNA) where: Base-Base interactions energy: -1547.928 where: short stacking energy: -631.933 Base-Backbone interact. energy: -0.811 local terms energy: -692.740551 where: bonds (distance) C4'-P energy: -135.368 bonds (distance) P-C4' energy: -141.826 flat angles C4'-P-C4' energy: -163.583 flat angles P-C4'-P energy: -81.816 tors. eta vs tors. theta energy: -170.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2222.385164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.385164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.385164 (E_RNA) where: Base-Base interactions energy: -1505.805 where: short stacking energy: -624.045 Base-Backbone interact. energy: -0.906 local terms energy: -715.674808 where: bonds (distance) C4'-P energy: -135.392 bonds (distance) P-C4' energy: -130.551 flat angles C4'-P-C4' energy: -157.834 flat angles P-C4'-P energy: -100.251 tors. eta vs tors. theta energy: -191.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2051.289443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.289443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.289443 (E_RNA) where: Base-Base interactions energy: -1372.507 where: short stacking energy: -549.269 Base-Backbone interact. energy: -1.822 local terms energy: -676.960499 where: bonds (distance) C4'-P energy: -129.903 bonds (distance) P-C4' energy: -134.382 flat angles C4'-P-C4' energy: -155.685 flat angles P-C4'-P energy: -91.853 tors. eta vs tors. theta energy: -165.137 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: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1667.928049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.928049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.928049 (E_RNA) where: Base-Base interactions energy: -1080.404 where: short stacking energy: -471.230 Base-Backbone interact. energy: -1.356 local terms energy: -586.167606 where: bonds (distance) C4'-P energy: -126.155 bonds (distance) P-C4' energy: -129.653 flat angles C4'-P-C4' energy: -142.559 flat angles P-C4'-P energy: -85.265 tors. eta vs tors. theta energy: -102.535 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: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1362.640688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.640688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.640688 (E_RNA) where: Base-Base interactions energy: -775.682 where: short stacking energy: -379.875 Base-Backbone interact. energy: -1.859 local terms energy: -585.100082 where: bonds (distance) C4'-P energy: -138.033 bonds (distance) P-C4' energy: -137.322 flat angles C4'-P-C4' energy: -138.407 flat angles P-C4'-P energy: -75.275 tors. eta vs tors. theta energy: -96.063 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1151.822833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.822833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.822833 (E_RNA) where: Base-Base interactions energy: -652.343 where: short stacking energy: -335.429 Base-Backbone interact. energy: 4.116 local terms energy: -503.596186 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -128.553 flat angles C4'-P-C4' energy: -116.247 flat angles P-C4'-P energy: -84.321 tors. eta vs tors. theta energy: -44.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -688.989977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.989977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.989977 (E_RNA) where: Base-Base interactions energy: -253.769 where: short stacking energy: -195.562 Base-Backbone interact. energy: -1.606 local terms energy: -433.615204 where: bonds (distance) C4'-P energy: -124.952 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -99.539 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: 10.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -649.384938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.384938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.384938 (E_RNA) where: Base-Base interactions energy: -257.297 where: short stacking energy: -178.718 Base-Backbone interact. energy: 4.100 local terms energy: -396.187408 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -128.590 flat angles C4'-P-C4' energy: -87.823 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2513.033269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.033269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.033269 (E_RNA) where: Base-Base interactions energy: -1700.292 where: short stacking energy: -725.573 Base-Backbone interact. energy: -1.551 local terms energy: -811.190024 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -148.370 flat angles C4'-P-C4' energy: -170.638 flat angles P-C4'-P energy: -122.764 tors. eta vs tors. theta energy: -228.137 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: 2, replica: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2457.110041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.110041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.110041 (E_RNA) where: Base-Base interactions energy: -1629.597 where: short stacking energy: -712.114 Base-Backbone interact. energy: -1.618 local terms energy: -825.895527 where: bonds (distance) C4'-P energy: -147.408 bonds (distance) P-C4' energy: -156.446 flat angles C4'-P-C4' energy: -167.953 flat angles P-C4'-P energy: -122.264 tors. eta vs tors. theta energy: -231.825 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: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2211.549426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.549426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.549426 (E_RNA) where: Base-Base interactions energy: -1490.548 where: short stacking energy: -629.704 Base-Backbone interact. energy: -4.233 local terms energy: -716.769292 where: bonds (distance) C4'-P energy: -139.497 bonds (distance) P-C4' energy: -136.612 flat angles C4'-P-C4' energy: -155.205 flat angles P-C4'-P energy: -108.918 tors. eta vs tors. theta energy: -176.536 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: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2163.625155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.625155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.625155 (E_RNA) where: Base-Base interactions energy: -1448.299 where: short stacking energy: -614.561 Base-Backbone interact. energy: -2.267 local terms energy: -713.059039 where: bonds (distance) C4'-P energy: -140.722 bonds (distance) P-C4' energy: -143.373 flat angles C4'-P-C4' energy: -149.105 flat angles P-C4'-P energy: -101.165 tors. eta vs tors. theta energy: -178.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2074.083652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.083652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.083652 (E_RNA) where: Base-Base interactions energy: -1384.798 where: short stacking energy: -573.403 Base-Backbone interact. energy: -0.439 local terms energy: -688.846753 where: bonds (distance) C4'-P energy: -137.035 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -150.855 flat angles P-C4'-P energy: -91.339 tors. eta vs tors. theta energy: -162.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1746.902731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.902731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.902731 (E_RNA) where: Base-Base interactions energy: -1167.874 where: short stacking energy: -471.887 Base-Backbone interact. energy: -4.085 local terms energy: -574.943334 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -131.768 flat angles C4'-P-C4' energy: -112.424 flat angles P-C4'-P energy: -88.854 tors. eta vs tors. theta energy: -120.748 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: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1342.379755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.379755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.379755 (E_RNA) where: Base-Base interactions energy: -811.834 where: short stacking energy: -372.450 Base-Backbone interact. energy: 3.329 local terms energy: -533.874584 where: bonds (distance) C4'-P energy: -133.689 bonds (distance) P-C4' energy: -128.690 flat angles C4'-P-C4' energy: -139.079 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: -62.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1151.428777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.428777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.428777 (E_RNA) where: Base-Base interactions energy: -687.842 where: short stacking energy: -352.095 Base-Backbone interact. energy: 0.177 local terms energy: -463.763632 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -124.997 flat angles C4'-P-C4' energy: -100.433 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -52.244 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: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -721.241961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.241961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.241961 (E_RNA) where: Base-Base interactions energy: -305.302 where: short stacking energy: -193.369 Base-Backbone interact. energy: 2.992 local terms energy: -418.932591 where: bonds (distance) C4'-P energy: -111.581 bonds (distance) P-C4' energy: -129.164 flat angles C4'-P-C4' energy: -109.944 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -1.522 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: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -635.369036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.369036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.369036 (E_RNA) where: Base-Base interactions energy: -271.537 where: short stacking energy: -177.865 Base-Backbone interact. energy: 7.319 local terms energy: -371.151538 where: bonds (distance) C4'-P energy: -126.637 bonds (distance) P-C4' energy: -123.143 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -39.029 tors. eta vs tors. theta energy: 21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2559.485831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.485831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.485831 (E_RNA) where: Base-Base interactions energy: -1744.578 where: short stacking energy: -760.130 Base-Backbone interact. energy: -5.080 local terms energy: -809.827251 where: bonds (distance) C4'-P energy: -134.319 bonds (distance) P-C4' energy: -162.448 flat angles C4'-P-C4' energy: -162.655 flat angles P-C4'-P energy: -118.462 tors. eta vs tors. theta energy: -231.942 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: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2463.035371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.035371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.035371 (E_RNA) where: Base-Base interactions energy: -1644.560 where: short stacking energy: -736.626 Base-Backbone interact. energy: -4.237 local terms energy: -814.237839 where: bonds (distance) C4'-P energy: -148.176 bonds (distance) P-C4' energy: -158.853 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -99.854 tors. eta vs tors. theta energy: -222.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2209.248019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.248019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.248019 (E_RNA) where: Base-Base interactions energy: -1469.178 where: short stacking energy: -602.700 Base-Backbone interact. energy: -3.426 local terms energy: -736.644376 where: bonds (distance) C4'-P energy: -136.946 bonds (distance) P-C4' energy: -149.565 flat angles C4'-P-C4' energy: -165.048 flat angles P-C4'-P energy: -113.257 tors. eta vs tors. theta energy: -171.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2195.925581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.925581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.925581 (E_RNA) where: Base-Base interactions energy: -1481.746 where: short stacking energy: -626.120 Base-Backbone interact. energy: -5.743 local terms energy: -708.436639 where: bonds (distance) C4'-P energy: -125.038 bonds (distance) P-C4' energy: -143.295 flat angles C4'-P-C4' energy: -165.458 flat angles P-C4'-P energy: -105.534 tors. eta vs tors. theta energy: -169.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2044.902872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.902872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.902872 (E_RNA) where: Base-Base interactions energy: -1369.947 where: short stacking energy: -574.660 Base-Backbone interact. energy: -0.795 local terms energy: -674.160933 where: bonds (distance) C4'-P energy: -118.788 bonds (distance) P-C4' energy: -146.119 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -104.328 tors. eta vs tors. theta energy: -168.370 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: 113 Temperature: 1.150000 Total energy: -1733.062662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.062662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.062662 (E_RNA) where: Base-Base interactions energy: -1123.668 where: short stacking energy: -470.585 Base-Backbone interact. energy: -1.159 local terms energy: -608.235120 where: bonds (distance) C4'-P energy: -136.834 bonds (distance) P-C4' energy: -132.829 flat angles C4'-P-C4' energy: -127.079 flat angles P-C4'-P energy: -90.150 tors. eta vs tors. theta energy: -121.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1465.424186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.424186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.424186 (E_RNA) where: Base-Base interactions energy: -914.235 where: short stacking energy: -404.093 Base-Backbone interact. energy: -3.368 local terms energy: -547.821410 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -144.571 flat angles C4'-P-C4' energy: -130.055 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: -68.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1189.188218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.188218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.188218 (E_RNA) where: Base-Base interactions energy: -671.357 where: short stacking energy: -352.682 Base-Backbone interact. energy: 2.580 local terms energy: -520.410991 where: bonds (distance) C4'-P energy: -124.724 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -121.133 flat angles P-C4'-P energy: -80.595 tors. eta vs tors. theta energy: -58.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -618.316420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.316420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.316420 (E_RNA) where: Base-Base interactions energy: -237.921 where: short stacking energy: -173.221 Base-Backbone interact. energy: 6.952 local terms energy: -387.347327 where: bonds (distance) C4'-P energy: -123.966 bonds (distance) P-C4' energy: -130.973 flat angles C4'-P-C4' energy: -102.493 flat angles P-C4'-P energy: -64.789 tors. eta vs tors. theta energy: 34.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -668.773789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.773789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.773789 (E_RNA) where: Base-Base interactions energy: -282.709 where: short stacking energy: -195.444 Base-Backbone interact. energy: 0.103 local terms energy: -386.167687 where: bonds (distance) C4'-P energy: -112.166 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -98.819 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: 16.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2563.238118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.238118 (E_RNA) where: Base-Base interactions energy: -1729.516 where: short stacking energy: -758.512 Base-Backbone interact. energy: -0.692 local terms energy: -833.030253 where: bonds (distance) C4'-P energy: -157.448 bonds (distance) P-C4' energy: -159.117 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -111.399 tors. eta vs tors. theta energy: -237.338 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: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2437.507090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.507090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.507090 (E_RNA) where: Base-Base interactions energy: -1654.025 where: short stacking energy: -722.861 Base-Backbone interact. energy: -1.367 local terms energy: -782.115068 where: bonds (distance) C4'-P energy: -137.709 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -175.039 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -222.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2289.009602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.009602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.009602 (E_RNA) where: Base-Base interactions energy: -1539.949 where: short stacking energy: -638.976 Base-Backbone interact. energy: -2.577 local terms energy: -746.483669 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -158.832 flat angles C4'-P-C4' energy: -160.450 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -185.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2151.019793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.019793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.019793 (E_RNA) where: Base-Base interactions energy: -1462.133 where: short stacking energy: -605.223 Base-Backbone interact. energy: -0.870 local terms energy: -688.017336 where: bonds (distance) C4'-P energy: -138.086 bonds (distance) P-C4' energy: -147.478 flat angles C4'-P-C4' energy: -133.717 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -164.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2047.148348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.148348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.148348 (E_RNA) where: Base-Base interactions energy: -1375.134 where: short stacking energy: -597.727 Base-Backbone interact. energy: 0.327 local terms energy: -672.341455 where: bonds (distance) C4'-P energy: -142.827 bonds (distance) P-C4' energy: -131.119 flat angles C4'-P-C4' energy: -137.531 flat angles P-C4'-P energy: -96.215 tors. eta vs tors. theta energy: -164.650 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: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1739.146792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.146792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.146792 (E_RNA) where: Base-Base interactions energy: -1107.336 where: short stacking energy: -446.140 Base-Backbone interact. energy: 3.954 local terms energy: -635.764289 where: bonds (distance) C4'-P energy: -140.435 bonds (distance) P-C4' energy: -140.623 flat angles C4'-P-C4' energy: -153.421 flat angles P-C4'-P energy: -97.719 tors. eta vs tors. theta energy: -103.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1476.793990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.793990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.793990 (E_RNA) where: Base-Base interactions energy: -926.821 where: short stacking energy: -430.004 Base-Backbone interact. energy: 4.896 local terms energy: -554.868740 where: bonds (distance) C4'-P energy: -117.954 bonds (distance) P-C4' energy: -132.431 flat angles C4'-P-C4' energy: -143.680 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -76.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1148.149305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.149305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.149305 (E_RNA) where: Base-Base interactions energy: -669.630 where: short stacking energy: -337.849 Base-Backbone interact. energy: 0.331 local terms energy: -478.850305 where: bonds (distance) C4'-P energy: -124.128 bonds (distance) P-C4' energy: -109.440 flat angles C4'-P-C4' energy: -119.576 flat angles P-C4'-P energy: -89.047 tors. eta vs tors. theta energy: -36.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -699.605473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.605473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.605473 (E_RNA) where: Base-Base interactions energy: -266.881 where: short stacking energy: -153.980 Base-Backbone interact. energy: -1.788 local terms energy: -430.936660 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -117.550 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: 26.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -541.962472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.962472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.962472 (E_RNA) where: Base-Base interactions energy: -175.617 where: short stacking energy: -142.100 Base-Backbone interact. energy: -2.628 local terms energy: -363.717704 where: bonds (distance) C4'-P energy: -122.464 bonds (distance) P-C4' energy: -123.328 flat angles C4'-P-C4' energy: -99.739 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: 54.591 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: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2534.303648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.303648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.303648 (E_RNA) where: Base-Base interactions energy: -1713.371 where: short stacking energy: -731.255 Base-Backbone interact. energy: -2.449 local terms energy: -818.483702 where: bonds (distance) C4'-P energy: -150.636 bonds (distance) P-C4' energy: -158.570 flat angles C4'-P-C4' energy: -168.151 flat angles P-C4'-P energy: -120.695 tors. eta vs tors. theta energy: -220.432 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: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2453.934899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.934899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.934899 (E_RNA) where: Base-Base interactions energy: -1681.197 where: short stacking energy: -741.544 Base-Backbone interact. energy: -1.914 local terms energy: -770.823879 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -150.161 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -95.703 tors. eta vs tors. theta energy: -228.441 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: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2278.932414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.932414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.932414 (E_RNA) where: Base-Base interactions energy: -1575.249 where: short stacking energy: -635.865 Base-Backbone interact. energy: -3.457 local terms energy: -700.226421 where: bonds (distance) C4'-P energy: -133.561 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -158.253 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -186.867 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2097.608290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.608290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.608290 (E_RNA) where: Base-Base interactions energy: -1422.475 where: short stacking energy: -616.289 Base-Backbone interact. energy: -2.600 local terms energy: -672.533828 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -127.630 flat angles C4'-P-C4' energy: -146.505 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -173.369 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: 115 Temperature: 1.100000 Total energy: -2022.584071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.584071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.584071 (E_RNA) where: Base-Base interactions energy: -1355.831 where: short stacking energy: -577.930 Base-Backbone interact. energy: -4.005 local terms energy: -662.747834 where: bonds (distance) C4'-P energy: -122.437 bonds (distance) P-C4' energy: -146.341 flat angles C4'-P-C4' energy: -150.573 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -163.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1719.770229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.770229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.770229 (E_RNA) where: Base-Base interactions energy: -1100.822 where: short stacking energy: -455.258 Base-Backbone interact. energy: -3.756 local terms energy: -615.192658 where: bonds (distance) C4'-P energy: -144.930 bonds (distance) P-C4' energy: -131.937 flat angles C4'-P-C4' energy: -145.298 flat angles P-C4'-P energy: -80.689 tors. eta vs tors. theta energy: -112.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1413.184306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.184306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.184306 (E_RNA) where: Base-Base interactions energy: -855.426 where: short stacking energy: -397.680 Base-Backbone interact. energy: -3.069 local terms energy: -554.689508 where: bonds (distance) C4'-P energy: -116.068 bonds (distance) P-C4' energy: -132.576 flat angles C4'-P-C4' energy: -146.532 flat angles P-C4'-P energy: -85.644 tors. eta vs tors. theta energy: -73.870 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: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1043.060465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.060465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.060465 (E_RNA) where: Base-Base interactions energy: -571.497 where: short stacking energy: -302.435 Base-Backbone interact. energy: -0.101 local terms energy: -471.462475 where: bonds (distance) C4'-P energy: -129.254 bonds (distance) P-C4' energy: -122.595 flat angles C4'-P-C4' energy: -122.811 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -22.140 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: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -700.819948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.819948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.819948 (E_RNA) where: Base-Base interactions energy: -309.815 where: short stacking energy: -196.758 Base-Backbone interact. energy: -0.654 local terms energy: -390.351043 where: bonds (distance) C4'-P energy: -116.399 bonds (distance) P-C4' energy: -130.699 flat angles C4'-P-C4' energy: -112.443 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: 15.106 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: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -566.444923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.444923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.444923 (E_RNA) where: Base-Base interactions energy: -206.356 where: short stacking energy: -159.484 Base-Backbone interact. energy: 5.309 local terms energy: -365.398670 where: bonds (distance) C4'-P energy: -114.757 bonds (distance) P-C4' energy: -119.692 flat angles C4'-P-C4' energy: -105.691 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: 29.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2528.712945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.712945 (E_RNA) where: Base-Base interactions energy: -1703.327 where: short stacking energy: -739.237 Base-Backbone interact. energy: -3.534 local terms energy: -821.851282 where: bonds (distance) C4'-P energy: -145.527 bonds (distance) P-C4' energy: -156.280 flat angles C4'-P-C4' energy: -184.063 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -225.464 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: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2436.456654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.456654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.456654 (E_RNA) where: Base-Base interactions energy: -1628.717 where: short stacking energy: -703.920 Base-Backbone interact. energy: -0.103 local terms energy: -807.636289 where: bonds (distance) C4'-P energy: -157.045 bonds (distance) P-C4' energy: -141.716 flat angles C4'-P-C4' energy: -174.481 flat angles P-C4'-P energy: -113.616 tors. eta vs tors. theta energy: -220.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2264.168762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.168762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.168762 (E_RNA) where: Base-Base interactions energy: -1549.299 where: short stacking energy: -646.140 Base-Backbone interact. energy: -2.756 local terms energy: -712.113587 where: bonds (distance) C4'-P energy: -134.682 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -155.982 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: -190.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2131.536421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.536421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.536421 (E_RNA) where: Base-Base interactions energy: -1393.364 where: short stacking energy: -623.619 Base-Backbone interact. energy: 2.380 local terms energy: -740.552638 where: bonds (distance) C4'-P energy: -153.316 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -170.191 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -174.741 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: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1990.513721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.513721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.513721 (E_RNA) where: Base-Base interactions energy: -1331.286 where: short stacking energy: -570.194 Base-Backbone interact. energy: 0.596 local terms energy: -659.823664 where: bonds (distance) C4'-P energy: -126.595 bonds (distance) P-C4' energy: -120.178 flat angles C4'-P-C4' energy: -162.659 flat angles P-C4'-P energy: -88.126 tors. eta vs tors. theta energy: -162.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1774.645078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.645078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.645078 (E_RNA) where: Base-Base interactions energy: -1129.290 where: short stacking energy: -481.521 Base-Backbone interact. energy: 1.552 local terms energy: -646.907145 where: bonds (distance) C4'-P energy: -139.578 bonds (distance) P-C4' energy: -147.275 flat angles C4'-P-C4' energy: -153.789 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -121.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1444.086146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.086146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.086146 (E_RNA) where: Base-Base interactions energy: -875.372 where: short stacking energy: -414.076 Base-Backbone interact. energy: -2.482 local terms energy: -566.232139 where: bonds (distance) C4'-P energy: -121.539 bonds (distance) P-C4' energy: -135.866 flat angles C4'-P-C4' energy: -142.300 flat angles P-C4'-P energy: -60.834 tors. eta vs tors. theta energy: -105.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1067.146974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.146974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.146974 (E_RNA) where: Base-Base interactions energy: -616.766 where: short stacking energy: -283.151 Base-Backbone interact. energy: 8.952 local terms energy: -459.333415 where: bonds (distance) C4'-P energy: -117.487 bonds (distance) P-C4' energy: -141.364 flat angles C4'-P-C4' energy: -102.674 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -38.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -682.607530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.607530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.607530 (E_RNA) where: Base-Base interactions energy: -282.268 where: short stacking energy: -179.910 Base-Backbone interact. energy: -4.025 local terms energy: -396.314985 where: bonds (distance) C4'-P energy: -131.626 bonds (distance) P-C4' energy: -135.830 flat angles C4'-P-C4' energy: -108.694 flat angles P-C4'-P energy: -35.178 tors. eta vs tors. theta energy: 15.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -555.009706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.009706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.009706 (E_RNA) where: Base-Base interactions energy: -156.311 where: short stacking energy: -112.360 Base-Backbone interact. energy: 2.318 local terms energy: -401.015895 where: bonds (distance) C4'-P energy: -122.541 bonds (distance) P-C4' energy: -145.301 flat angles C4'-P-C4' energy: -125.459 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: 51.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2505.706942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.706942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.706942 (E_RNA) where: Base-Base interactions energy: -1685.314 where: short stacking energy: -714.469 Base-Backbone interact. energy: -4.266 local terms energy: -816.126664 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -167.938 flat angles P-C4'-P energy: -117.556 tors. eta vs tors. theta energy: -227.560 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: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2439.878339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.878339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.878339 (E_RNA) where: Base-Base interactions energy: -1658.464 where: short stacking energy: -706.211 Base-Backbone interact. energy: 0.224 local terms energy: -781.638137 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -170.994 flat angles P-C4'-P energy: -108.777 tors. eta vs tors. theta energy: -216.264 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2242.791455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.791455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.791455 (E_RNA) where: Base-Base interactions energy: -1558.117 where: short stacking energy: -622.498 Base-Backbone interact. energy: -2.167 local terms energy: -682.507270 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -141.520 flat angles C4'-P-C4' energy: -155.397 flat angles P-C4'-P energy: -98.247 tors. eta vs tors. theta energy: -166.699 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: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2120.630308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.630308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.630308 (E_RNA) where: Base-Base interactions energy: -1401.737 where: short stacking energy: -612.061 Base-Backbone interact. energy: -3.603 local terms energy: -715.290303 where: bonds (distance) C4'-P energy: -129.571 bonds (distance) P-C4' energy: -129.106 flat angles C4'-P-C4' energy: -168.421 flat angles P-C4'-P energy: -110.413 tors. eta vs tors. theta energy: -177.779 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: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2058.469869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.469869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.469869 (E_RNA) where: Base-Base interactions energy: -1408.568 where: short stacking energy: -601.794 Base-Backbone interact. energy: 3.934 local terms energy: -653.835362 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -128.356 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -102.617 tors. eta vs tors. theta energy: -153.251 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: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1682.092480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.092480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.092480 (E_RNA) where: Base-Base interactions energy: -1085.728 where: short stacking energy: -459.788 Base-Backbone interact. energy: -0.106 local terms energy: -596.258336 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -132.138 flat angles C4'-P-C4' energy: -139.077 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -115.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1466.373027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.373027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.373027 (E_RNA) where: Base-Base interactions energy: -896.484 where: short stacking energy: -437.437 Base-Backbone interact. energy: -0.734 local terms energy: -569.155089 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -142.118 flat angles C4'-P-C4' energy: -135.225 flat angles P-C4'-P energy: -71.233 tors. eta vs tors. theta energy: -106.647 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: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1149.964370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.964370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.964370 (E_RNA) where: Base-Base interactions energy: -651.195 where: short stacking energy: -331.117 Base-Backbone interact. energy: -0.323 local terms energy: -498.446189 where: bonds (distance) C4'-P energy: -126.595 bonds (distance) P-C4' energy: -130.275 flat angles C4'-P-C4' energy: -115.820 flat angles P-C4'-P energy: -70.979 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: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -701.676254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.676254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.676254 (E_RNA) where: Base-Base interactions energy: -282.138 where: short stacking energy: -192.846 Base-Backbone interact. energy: 0.517 local terms energy: -420.054969 where: bonds (distance) C4'-P energy: -122.332 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -116.668 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: 6.849 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: 117 Temperature: 1.350000 Total energy: -601.427563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.427563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.427563 (E_RNA) where: Base-Base interactions energy: -243.134 where: short stacking energy: -168.291 Base-Backbone interact. energy: 1.308 local terms energy: -359.601635 where: bonds (distance) C4'-P energy: -97.122 bonds (distance) P-C4' energy: -142.337 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: 29.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2550.162394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.162394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.162394 (E_RNA) where: Base-Base interactions energy: -1717.748 where: short stacking energy: -734.689 Base-Backbone interact. energy: -2.773 local terms energy: -829.641442 where: bonds (distance) C4'-P energy: -151.814 bonds (distance) P-C4' energy: -141.560 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -124.970 tors. eta vs tors. theta energy: -226.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2463.099184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.099184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.099184 (E_RNA) where: Base-Base interactions energy: -1647.235 where: short stacking energy: -698.592 Base-Backbone interact. energy: -2.485 local terms energy: -813.378964 where: bonds (distance) C4'-P energy: -150.894 bonds (distance) P-C4' energy: -154.420 flat angles C4'-P-C4' energy: -170.623 flat angles P-C4'-P energy: -118.884 tors. eta vs tors. theta energy: -218.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2271.736190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.736190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.736190 (E_RNA) where: Base-Base interactions energy: -1557.047 where: short stacking energy: -631.589 Base-Backbone interact. energy: 5.455 local terms energy: -720.144426 where: bonds (distance) C4'-P energy: -139.681 bonds (distance) P-C4' energy: -136.164 flat angles C4'-P-C4' energy: -159.005 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -175.298 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: 118 Temperature: 1.050000 Total energy: -2119.883742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.883742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.883742 (E_RNA) where: Base-Base interactions energy: -1438.733 where: short stacking energy: -602.377 Base-Backbone interact. energy: -1.479 local terms energy: -679.670930 where: bonds (distance) C4'-P energy: -141.680 bonds (distance) P-C4' energy: -126.187 flat angles C4'-P-C4' energy: -139.890 flat angles P-C4'-P energy: -98.991 tors. eta vs tors. theta energy: -172.923 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: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1989.753195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.753195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.753195 (E_RNA) where: Base-Base interactions energy: -1342.162 where: short stacking energy: -574.763 Base-Backbone interact. energy: 0.991 local terms energy: -648.582659 where: bonds (distance) C4'-P energy: -118.538 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -144.590 flat angles P-C4'-P energy: -89.938 tors. eta vs tors. theta energy: -153.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1704.708787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.708787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.708787 (E_RNA) where: Base-Base interactions energy: -1084.039 where: short stacking energy: -508.804 Base-Backbone interact. energy: 3.965 local terms energy: -624.634790 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -135.810 flat angles C4'-P-C4' energy: -124.661 flat angles P-C4'-P energy: -110.962 tors. eta vs tors. theta energy: -122.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1438.872753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.872753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.872753 (E_RNA) where: Base-Base interactions energy: -913.540 where: short stacking energy: -427.878 Base-Backbone interact. energy: 1.266 local terms energy: -526.599186 where: bonds (distance) C4'-P energy: -117.783 bonds (distance) P-C4' energy: -139.455 flat angles C4'-P-C4' energy: -119.584 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -100.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1153.499388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.499388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.499388 (E_RNA) where: Base-Base interactions energy: -647.826 where: short stacking energy: -340.940 Base-Backbone interact. energy: 2.708 local terms energy: -508.381190 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -132.381 flat angles C4'-P-C4' energy: -124.500 flat angles P-C4'-P energy: -73.749 tors. eta vs tors. theta energy: -47.345 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: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -688.809438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.809438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.809438 (E_RNA) where: Base-Base interactions energy: -294.791 where: short stacking energy: -174.441 Base-Backbone interact. energy: -2.565 local terms energy: -391.454055 where: bonds (distance) C4'-P energy: -134.796 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -112.450 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: 19.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -572.598231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.598231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.598231 (E_RNA) where: Base-Base interactions energy: -209.002 where: short stacking energy: -134.473 Base-Backbone interact. energy: 9.591 local terms energy: -373.186883 where: bonds (distance) C4'-P energy: -127.973 bonds (distance) P-C4' energy: -133.993 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: 50.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2571.377029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.377029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.377029 (E_RNA) where: Base-Base interactions energy: -1744.785 where: short stacking energy: -744.923 Base-Backbone interact. energy: -1.115 local terms energy: -825.476854 where: bonds (distance) C4'-P energy: -159.440 bonds (distance) P-C4' energy: -157.107 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -118.842 tors. eta vs tors. theta energy: -223.612 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: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2470.026827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.026827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.026827 (E_RNA) where: Base-Base interactions energy: -1677.774 where: short stacking energy: -720.772 Base-Backbone interact. energy: -0.145 local terms energy: -792.108237 where: bonds (distance) C4'-P energy: -136.456 bonds (distance) P-C4' energy: -152.879 flat angles C4'-P-C4' energy: -173.667 flat angles P-C4'-P energy: -118.635 tors. eta vs tors. theta energy: -210.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2269.757053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.757053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.757053 (E_RNA) where: Base-Base interactions energy: -1551.916 where: short stacking energy: -618.914 Base-Backbone interact. energy: -2.907 local terms energy: -714.934574 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -143.497 flat angles C4'-P-C4' energy: -154.969 flat angles P-C4'-P energy: -105.098 tors. eta vs tors. theta energy: -179.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2098.877767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.877767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.877767 (E_RNA) where: Base-Base interactions energy: -1399.494 where: short stacking energy: -632.232 Base-Backbone interact. energy: 0.977 local terms energy: -700.361141 where: bonds (distance) C4'-P energy: -139.421 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -142.839 flat angles P-C4'-P energy: -97.413 tors. eta vs tors. theta energy: -181.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2014.185939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.185939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.185939 (E_RNA) where: Base-Base interactions energy: -1321.793 where: short stacking energy: -579.898 Base-Backbone interact. energy: -1.787 local terms energy: -690.606696 where: bonds (distance) C4'-P energy: -133.328 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -156.656 flat angles P-C4'-P energy: -88.986 tors. eta vs tors. theta energy: -168.349 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: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1696.672515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.672515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.672515 (E_RNA) where: Base-Base interactions energy: -1124.180 where: short stacking energy: -474.730 Base-Backbone interact. energy: 0.515 local terms energy: -573.007215 where: bonds (distance) C4'-P energy: -114.310 bonds (distance) P-C4' energy: -136.436 flat angles C4'-P-C4' energy: -137.776 flat angles P-C4'-P energy: -73.222 tors. eta vs tors. theta energy: -111.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1401.965985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.965985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.965985 (E_RNA) where: Base-Base interactions energy: -861.208 where: short stacking energy: -415.829 Base-Backbone interact. energy: 4.807 local terms energy: -545.564715 where: bonds (distance) C4'-P energy: -126.696 bonds (distance) P-C4' energy: -132.528 flat angles C4'-P-C4' energy: -136.940 flat angles P-C4'-P energy: -70.717 tors. eta vs tors. theta energy: -78.683 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1132.817561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.817561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.817561 (E_RNA) where: Base-Base interactions energy: -627.770 where: short stacking energy: -337.840 Base-Backbone interact. energy: 5.100 local terms energy: -510.147317 where: bonds (distance) C4'-P energy: -128.975 bonds (distance) P-C4' energy: -120.197 flat angles C4'-P-C4' energy: -131.184 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -52.350 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: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -686.949025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.949025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.949025 (E_RNA) where: Base-Base interactions energy: -271.806 where: short stacking energy: -180.031 Base-Backbone interact. energy: -4.011 local terms energy: -411.132045 where: bonds (distance) C4'-P energy: -120.505 bonds (distance) P-C4' energy: -130.570 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: 19.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -551.716826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.716826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.716826 (E_RNA) where: Base-Base interactions energy: -183.310 where: short stacking energy: -141.669 Base-Backbone interact. energy: -3.996 local terms energy: -364.411253 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: 18.990 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: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2537.228016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.228016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.228016 (E_RNA) where: Base-Base interactions energy: -1724.039 where: short stacking energy: -745.013 Base-Backbone interact. energy: -2.206 local terms energy: -810.983145 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -176.670 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -224.822 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: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2479.467388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.467388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.467388 (E_RNA) where: Base-Base interactions energy: -1677.776 where: short stacking energy: -731.519 Base-Backbone interact. energy: -2.305 local terms energy: -799.386911 where: bonds (distance) C4'-P energy: -149.326 bonds (distance) P-C4' energy: -142.612 flat angles C4'-P-C4' energy: -170.830 flat angles P-C4'-P energy: -121.482 tors. eta vs tors. theta energy: -215.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2313.776030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.776030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.776030 (E_RNA) where: Base-Base interactions energy: -1577.916 where: short stacking energy: -652.551 Base-Backbone interact. energy: -4.274 local terms energy: -731.585871 where: bonds (distance) C4'-P energy: -140.425 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -162.175 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -186.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2117.270217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.270217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.270217 (E_RNA) where: Base-Base interactions energy: -1408.414 where: short stacking energy: -628.373 Base-Backbone interact. energy: -1.625 local terms energy: -707.230753 where: bonds (distance) C4'-P energy: -134.582 bonds (distance) P-C4' energy: -142.182 flat angles C4'-P-C4' energy: -160.566 flat angles P-C4'-P energy: -91.569 tors. eta vs tors. theta energy: -178.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2023.318611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.318611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.318611 (E_RNA) where: Base-Base interactions energy: -1334.644 where: short stacking energy: -595.252 Base-Backbone interact. energy: -2.449 local terms energy: -686.226436 where: bonds (distance) C4'-P energy: -133.173 bonds (distance) P-C4' energy: -124.416 flat angles C4'-P-C4' energy: -159.622 flat angles P-C4'-P energy: -106.976 tors. eta vs tors. theta energy: -162.040 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: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1755.085679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.085679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.085679 (E_RNA) where: Base-Base interactions energy: -1145.768 where: short stacking energy: -507.274 Base-Backbone interact. energy: 0.395 local terms energy: -609.713053 where: bonds (distance) C4'-P energy: -128.255 bonds (distance) P-C4' energy: -126.931 flat angles C4'-P-C4' energy: -138.393 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -122.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1395.688881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.688881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.688881 (E_RNA) where: Base-Base interactions energy: -858.655 where: short stacking energy: -378.605 Base-Backbone interact. energy: -2.417 local terms energy: -534.616980 where: bonds (distance) C4'-P energy: -128.183 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -142.519 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -69.281 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: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1101.437670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.437670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.437670 (E_RNA) where: Base-Base interactions energy: -638.853 where: short stacking energy: -344.812 Base-Backbone interact. energy: 2.216 local terms energy: -464.801119 where: bonds (distance) C4'-P energy: -127.551 bonds (distance) P-C4' energy: -124.362 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -67.389 tors. eta vs tors. theta energy: -33.283 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: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -656.152127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.152127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.152127 (E_RNA) where: Base-Base interactions energy: -254.394 where: short stacking energy: -186.793 Base-Backbone interact. energy: -2.234 local terms energy: -399.523573 where: bonds (distance) C4'-P energy: -126.620 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -114.865 flat angles P-C4'-P energy: -57.039 tors. eta vs tors. theta energy: 19.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -573.454621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.454621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.454621 (E_RNA) where: Base-Base interactions energy: -211.570 where: short stacking energy: -135.149 Base-Backbone interact. energy: 2.681 local terms energy: -364.564639 where: bonds (distance) C4'-P energy: -122.769 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -83.264 flat angles P-C4'-P energy: -59.227 tors. eta vs tors. theta energy: 41.787 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2531.124740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.124740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.124740 (E_RNA) where: Base-Base interactions energy: -1704.251 where: short stacking energy: -730.289 Base-Backbone interact. energy: -3.524 local terms energy: -823.349369 where: bonds (distance) C4'-P energy: -139.395 bonds (distance) P-C4' energy: -161.965 flat angles C4'-P-C4' energy: -172.232 flat angles P-C4'-P energy: -128.283 tors. eta vs tors. theta energy: -221.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2465.183565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.183565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.183565 (E_RNA) where: Base-Base interactions energy: -1658.543 where: short stacking energy: -699.051 Base-Backbone interact. energy: -2.552 local terms energy: -804.088288 where: bonds (distance) C4'-P energy: -146.283 bonds (distance) P-C4' energy: -168.331 flat angles C4'-P-C4' energy: -166.176 flat angles P-C4'-P energy: -102.429 tors. eta vs tors. theta energy: -220.869 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2280.395943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.395943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.395943 (E_RNA) where: Base-Base interactions energy: -1546.338 where: short stacking energy: -640.054 Base-Backbone interact. energy: 4.331 local terms energy: -738.389371 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -166.180 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -185.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2124.004837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.004837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.004837 (E_RNA) where: Base-Base interactions energy: -1409.861 where: short stacking energy: -631.542 Base-Backbone interact. energy: -3.370 local terms energy: -710.773858 where: bonds (distance) C4'-P energy: -132.496 bonds (distance) P-C4' energy: -127.771 flat angles C4'-P-C4' energy: -160.320 flat angles P-C4'-P energy: -109.276 tors. eta vs tors. theta energy: -180.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1956.008224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.008224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.008224 (E_RNA) where: Base-Base interactions energy: -1293.445 where: short stacking energy: -577.332 Base-Backbone interact. energy: -2.907 local terms energy: -659.656204 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -133.505 flat angles C4'-P-C4' energy: -140.406 flat angles P-C4'-P energy: -108.731 tors. eta vs tors. theta energy: -157.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1677.601505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.601505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.601505 (E_RNA) where: Base-Base interactions energy: -1087.199 where: short stacking energy: -487.113 Base-Backbone interact. energy: -2.197 local terms energy: -588.205802 where: bonds (distance) C4'-P energy: -132.316 bonds (distance) P-C4' energy: -125.162 flat angles C4'-P-C4' energy: -128.055 flat angles P-C4'-P energy: -84.115 tors. eta vs tors. theta energy: -118.559 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: 121 Temperature: 1.200000 Total energy: -1478.793435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.793435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.793435 (E_RNA) where: Base-Base interactions energy: -912.552 where: short stacking energy: -431.210 Base-Backbone interact. energy: 2.062 local terms energy: -568.303967 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -132.935 flat angles C4'-P-C4' energy: -122.817 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -112.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1084.071196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.071196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.071196 (E_RNA) where: Base-Base interactions energy: -566.473 where: short stacking energy: -297.314 Base-Backbone interact. energy: -0.389 local terms energy: -517.209170 where: bonds (distance) C4'-P energy: -123.931 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -131.478 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -40.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -638.869120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.869120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.869120 (E_RNA) where: Base-Base interactions energy: -247.464 where: short stacking energy: -179.771 Base-Backbone interact. energy: 0.828 local terms energy: -392.233255 where: bonds (distance) C4'-P energy: -114.901 bonds (distance) P-C4' energy: -127.424 flat angles C4'-P-C4' energy: -95.585 flat angles P-C4'-P energy: -62.386 tors. eta vs tors. theta energy: 8.062 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -597.443488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.443488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.443488 (E_RNA) where: Base-Base interactions energy: -181.244 where: short stacking energy: -150.709 Base-Backbone interact. energy: 12.196 local terms energy: -428.395736 where: bonds (distance) C4'-P energy: -145.210 bonds (distance) P-C4' energy: -118.132 flat angles C4'-P-C4' energy: -104.535 flat angles P-C4'-P energy: -80.090 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: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2537.665845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.665845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.665845 (E_RNA) where: Base-Base interactions energy: -1709.944 where: short stacking energy: -745.063 Base-Backbone interact. energy: 0.202 local terms energy: -827.923819 where: bonds (distance) C4'-P energy: -169.228 bonds (distance) P-C4' energy: -158.639 flat angles C4'-P-C4' energy: -156.155 flat angles P-C4'-P energy: -121.591 tors. eta vs tors. theta energy: -222.311 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: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2478.802567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.802567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.802567 (E_RNA) where: Base-Base interactions energy: -1688.546 where: short stacking energy: -737.203 Base-Backbone interact. energy: -3.091 local terms energy: -787.165536 where: bonds (distance) C4'-P energy: -139.982 bonds (distance) P-C4' energy: -153.829 flat angles C4'-P-C4' energy: -170.013 flat angles P-C4'-P energy: -95.358 tors. eta vs tors. theta energy: -227.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2330.336573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.336573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.336573 (E_RNA) where: Base-Base interactions energy: -1603.144 where: short stacking energy: -668.695 Base-Backbone interact. energy: 11.204 local terms energy: -738.396738 where: bonds (distance) C4'-P energy: -130.113 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -163.482 flat angles P-C4'-P energy: -100.306 tors. eta vs tors. theta energy: -191.711 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2150.927650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.927650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.927650 (E_RNA) where: Base-Base interactions energy: -1459.069 where: short stacking energy: -652.734 Base-Backbone interact. energy: -3.583 local terms energy: -688.275207 where: bonds (distance) C4'-P energy: -119.340 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -159.502 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -178.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1933.657581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.657581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.657581 (E_RNA) where: Base-Base interactions energy: -1262.564 where: short stacking energy: -575.296 Base-Backbone interact. energy: 0.007 local terms energy: -671.100635 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -140.497 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -89.812 tors. eta vs tors. theta energy: -174.476 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: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1697.695573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.695573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.695573 (E_RNA) where: Base-Base interactions energy: -1071.771 where: short stacking energy: -485.255 Base-Backbone interact. energy: -1.492 local terms energy: -624.432015 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -118.846 flat angles C4'-P-C4' energy: -151.603 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -123.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1465.178288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.178288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.178288 (E_RNA) where: Base-Base interactions energy: -916.992 where: short stacking energy: -399.171 Base-Backbone interact. energy: -1.658 local terms energy: -546.528275 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -130.341 flat angles C4'-P-C4' energy: -127.681 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -88.136 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: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1051.761848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.761848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.761848 (E_RNA) where: Base-Base interactions energy: -580.625 where: short stacking energy: -289.897 Base-Backbone interact. energy: 6.111 local terms energy: -477.247542 where: bonds (distance) C4'-P energy: -117.691 bonds (distance) P-C4' energy: -136.520 flat angles C4'-P-C4' energy: -117.848 flat angles P-C4'-P energy: -61.804 tors. eta vs tors. theta energy: -43.386 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: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -616.200534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.200534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.200534 (E_RNA) where: Base-Base interactions energy: -229.204 where: short stacking energy: -145.297 Base-Backbone interact. energy: -1.066 local terms energy: -385.930399 where: bonds (distance) C4'-P energy: -121.280 bonds (distance) P-C4' energy: -133.853 flat angles C4'-P-C4' energy: -92.697 flat angles P-C4'-P energy: -57.059 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: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -576.338088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.338088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.338088 (E_RNA) where: Base-Base interactions energy: -223.080 where: short stacking energy: -173.428 Base-Backbone interact. energy: 2.044 local terms energy: -355.301928 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -49.804 tors. eta vs tors. theta energy: 35.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2512.115442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.115442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.115442 (E_RNA) where: Base-Base interactions energy: -1690.872 where: short stacking energy: -745.340 Base-Backbone interact. energy: -2.508 local terms energy: -818.734815 where: bonds (distance) C4'-P energy: -143.297 bonds (distance) P-C4' energy: -150.391 flat angles C4'-P-C4' energy: -173.729 flat angles P-C4'-P energy: -129.846 tors. eta vs tors. theta energy: -221.472 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2456.457751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.457751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.457751 (E_RNA) where: Base-Base interactions energy: -1645.430 where: short stacking energy: -728.249 Base-Backbone interact. energy: -3.241 local terms energy: -807.786621 where: bonds (distance) C4'-P energy: -152.146 bonds (distance) P-C4' energy: -146.078 flat angles C4'-P-C4' energy: -176.297 flat angles P-C4'-P energy: -111.180 tors. eta vs tors. theta energy: -222.087 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: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2322.621960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.621960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.621960 (E_RNA) where: Base-Base interactions energy: -1568.488 where: short stacking energy: -682.309 Base-Backbone interact. energy: 0.469 local terms energy: -754.602177 where: bonds (distance) C4'-P energy: -146.191 bonds (distance) P-C4' energy: -138.532 flat angles C4'-P-C4' energy: -167.395 flat angles P-C4'-P energy: -106.520 tors. eta vs tors. theta energy: -195.964 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2164.232998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.232998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.232998 (E_RNA) where: Base-Base interactions energy: -1480.916 where: short stacking energy: -650.568 Base-Backbone interact. energy: -1.599 local terms energy: -681.717961 where: bonds (distance) C4'-P energy: -124.893 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -144.933 flat angles P-C4'-P energy: -87.216 tors. eta vs tors. theta energy: -182.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1889.875358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.875358 (E_RNA) where: Base-Base interactions energy: -1248.726 where: short stacking energy: -547.044 Base-Backbone interact. energy: -3.637 local terms energy: -637.512917 where: bonds (distance) C4'-P energy: -134.603 bonds (distance) P-C4' energy: -115.818 flat angles C4'-P-C4' energy: -142.393 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -162.724 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1668.596032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.596032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.596032 (E_RNA) where: Base-Base interactions energy: -1055.996 where: short stacking energy: -464.383 Base-Backbone interact. energy: 1.367 local terms energy: -613.967215 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -162.329 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -115.181 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: 123 Temperature: 1.200000 Total energy: -1429.237957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.237957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.237957 (E_RNA) where: Base-Base interactions energy: -887.520 where: short stacking energy: -414.164 Base-Backbone interact. energy: 2.881 local terms energy: -544.599400 where: bonds (distance) C4'-P energy: -138.634 bonds (distance) P-C4' energy: -126.704 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -77.057 tors. eta vs tors. theta energy: -91.034 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: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1020.943727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.943727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.943727 (E_RNA) where: Base-Base interactions energy: -552.990 where: short stacking energy: -280.586 Base-Backbone interact. energy: 0.331 local terms energy: -468.284749 where: bonds (distance) C4'-P energy: -120.359 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -117.938 flat angles P-C4'-P energy: -64.630 tors. eta vs tors. theta energy: -31.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -637.341875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.341875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.341875 (E_RNA) where: Base-Base interactions energy: -238.559 where: short stacking energy: -185.253 Base-Backbone interact. energy: 3.256 local terms energy: -402.039255 where: bonds (distance) C4'-P energy: -114.896 bonds (distance) P-C4' energy: -135.041 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -68.888 tors. eta vs tors. theta energy: 20.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -606.826132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.826132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.826132 (E_RNA) where: Base-Base interactions energy: -179.829 where: short stacking energy: -144.781 Base-Backbone interact. energy: 3.792 local terms energy: -430.788794 where: bonds (distance) C4'-P energy: -139.080 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -104.081 flat angles P-C4'-P energy: -89.119 tors. eta vs tors. theta energy: 29.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2502.103137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.103137 (E_RNA) where: Base-Base interactions energy: -1697.367 where: short stacking energy: -719.500 Base-Backbone interact. energy: -0.858 local terms energy: -803.878016 where: bonds (distance) C4'-P energy: -139.196 bonds (distance) P-C4' energy: -166.341 flat angles C4'-P-C4' energy: -176.391 flat angles P-C4'-P energy: -107.687 tors. eta vs tors. theta energy: -214.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2475.584873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.584873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.584873 (E_RNA) where: Base-Base interactions energy: -1665.916 where: short stacking energy: -719.000 Base-Backbone interact. energy: -1.508 local terms energy: -808.160891 where: bonds (distance) C4'-P energy: -135.869 bonds (distance) P-C4' energy: -162.463 flat angles C4'-P-C4' energy: -167.970 flat angles P-C4'-P energy: -119.664 tors. eta vs tors. theta energy: -222.195 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: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2365.792797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.792797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.792797 (E_RNA) where: Base-Base interactions energy: -1647.919 where: short stacking energy: -692.566 Base-Backbone interact. energy: -1.094 local terms energy: -716.780631 where: bonds (distance) C4'-P energy: -145.032 bonds (distance) P-C4' energy: -143.267 flat angles C4'-P-C4' energy: -142.816 flat angles P-C4'-P energy: -81.097 tors. eta vs tors. theta energy: -204.568 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: 124 Temperature: 1.050000 Total energy: -2176.572805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.572805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.572805 (E_RNA) where: Base-Base interactions energy: -1443.337 where: short stacking energy: -616.619 Base-Backbone interact. energy: 1.380 local terms energy: -734.615369 where: bonds (distance) C4'-P energy: -137.769 bonds (distance) P-C4' energy: -153.773 flat angles C4'-P-C4' energy: -152.980 flat angles P-C4'-P energy: -118.162 tors. eta vs tors. theta energy: -171.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1927.928807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.928807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.928807 (E_RNA) where: Base-Base interactions energy: -1285.064 where: short stacking energy: -535.423 Base-Backbone interact. energy: -1.037 local terms energy: -641.827607 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -144.585 flat angles C4'-P-C4' energy: -151.079 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: -149.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1707.766634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.766634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.766634 (E_RNA) where: Base-Base interactions energy: -1104.472 where: short stacking energy: -488.051 Base-Backbone interact. energy: 2.097 local terms energy: -605.391341 where: bonds (distance) C4'-P energy: -119.024 bonds (distance) P-C4' energy: -132.810 flat angles C4'-P-C4' energy: -143.281 flat angles P-C4'-P energy: -87.918 tors. eta vs tors. theta energy: -122.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1490.414490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.414490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.414490 (E_RNA) where: Base-Base interactions energy: -934.511 where: short stacking energy: -429.827 Base-Backbone interact. energy: 5.284 local terms energy: -561.187567 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -108.090 flat angles C4'-P-C4' energy: -136.555 flat angles P-C4'-P energy: -85.549 tors. eta vs tors. theta energy: -106.001 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: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -979.393656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.393656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.393656 (E_RNA) where: Base-Base interactions energy: -549.226 where: short stacking energy: -286.045 Base-Backbone interact. energy: 0.958 local terms energy: -431.125332 where: bonds (distance) C4'-P energy: -117.968 bonds (distance) P-C4' energy: -129.554 flat angles C4'-P-C4' energy: -107.808 flat angles P-C4'-P energy: -55.130 tors. eta vs tors. theta energy: -20.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -641.673307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.673307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.673307 (E_RNA) where: Base-Base interactions energy: -252.573 where: short stacking energy: -161.072 Base-Backbone interact. energy: 2.449 local terms energy: -391.549171 where: bonds (distance) C4'-P energy: -115.126 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -120.456 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: 41.819 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: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -585.292890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.292890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.292890 (E_RNA) where: Base-Base interactions energy: -210.480 where: short stacking energy: -150.152 Base-Backbone interact. energy: 7.532 local terms energy: -382.345313 where: bonds (distance) C4'-P energy: -132.570 bonds (distance) P-C4' energy: -129.780 flat angles C4'-P-C4' energy: -94.859 flat angles P-C4'-P energy: -62.951 tors. eta vs tors. theta energy: 37.815 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: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2514.601286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.601286 (E_RNA) where: Base-Base interactions energy: -1711.364 where: short stacking energy: -766.291 Base-Backbone interact. energy: -1.523 local terms energy: -801.714166 where: bonds (distance) C4'-P energy: -145.824 bonds (distance) P-C4' energy: -142.223 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -118.797 tors. eta vs tors. theta energy: -227.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2450.067483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.067483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.067483 (E_RNA) where: Base-Base interactions energy: -1654.301 where: short stacking energy: -713.471 Base-Backbone interact. energy: -0.968 local terms energy: -794.798550 where: bonds (distance) C4'-P energy: -147.153 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -163.070 flat angles P-C4'-P energy: -112.515 tors. eta vs tors. theta energy: -221.134 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2386.978676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.978676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.978676 (E_RNA) where: Base-Base interactions energy: -1631.594 where: short stacking energy: -711.045 Base-Backbone interact. energy: -4.166 local terms energy: -751.218258 where: bonds (distance) C4'-P energy: -138.895 bonds (distance) P-C4' energy: -130.763 flat angles C4'-P-C4' energy: -169.554 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -207.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2173.989116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.989116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.989116 (E_RNA) where: Base-Base interactions energy: -1426.427 where: short stacking energy: -617.793 Base-Backbone interact. energy: -2.831 local terms energy: -744.730794 where: bonds (distance) C4'-P energy: -144.019 bonds (distance) P-C4' energy: -145.209 flat angles C4'-P-C4' energy: -157.061 flat angles P-C4'-P energy: -115.601 tors. eta vs tors. theta energy: -182.841 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1966.460896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.460896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.460896 (E_RNA) where: Base-Base interactions energy: -1331.000 where: short stacking energy: -576.096 Base-Backbone interact. energy: 0.154 local terms energy: -635.614714 where: bonds (distance) C4'-P energy: -126.068 bonds (distance) P-C4' energy: -123.426 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -83.032 tors. eta vs tors. theta energy: -158.687 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: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1671.802906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.802906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.802906 (E_RNA) where: Base-Base interactions energy: -1045.763 where: short stacking energy: -477.117 Base-Backbone interact. energy: -0.760 local terms energy: -625.279824 where: bonds (distance) C4'-P energy: -127.508 bonds (distance) P-C4' energy: -143.842 flat angles C4'-P-C4' energy: -149.412 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -113.978 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: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1477.333177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.333177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.333177 (E_RNA) where: Base-Base interactions energy: -917.741 where: short stacking energy: -399.900 Base-Backbone interact. energy: -3.602 local terms energy: -555.990646 where: bonds (distance) C4'-P energy: -117.043 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -127.742 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: -74.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -914.757959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.757959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.757959 (E_RNA) where: Base-Base interactions energy: -456.925 where: short stacking energy: -239.524 Base-Backbone interact. energy: -0.031 local terms energy: -457.801885 where: bonds (distance) C4'-P energy: -125.629 bonds (distance) P-C4' energy: -142.715 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -66.779 tors. eta vs tors. theta energy: -8.054 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: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -653.690768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.690768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.690768 (E_RNA) where: Base-Base interactions energy: -250.567 where: short stacking energy: -159.292 Base-Backbone interact. energy: 2.781 local terms energy: -405.904683 where: bonds (distance) C4'-P energy: -122.432 bonds (distance) P-C4' energy: -131.490 flat angles C4'-P-C4' energy: -113.834 flat angles P-C4'-P energy: -65.760 tors. eta vs tors. theta energy: 27.613 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: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -564.816576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.816576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.816576 (E_RNA) where: Base-Base interactions energy: -190.330 where: short stacking energy: -128.601 Base-Backbone interact. energy: -0.781 local terms energy: -373.705150 where: bonds (distance) C4'-P energy: -127.268 bonds (distance) P-C4' energy: -116.027 flat angles C4'-P-C4' energy: -107.795 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: 34.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2523.306554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.306554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.306554 (E_RNA) where: Base-Base interactions energy: -1730.038 where: short stacking energy: -731.679 Base-Backbone interact. energy: 2.375 local terms energy: -795.643750 where: bonds (distance) C4'-P energy: -158.099 bonds (distance) P-C4' energy: -141.374 flat angles C4'-P-C4' energy: -163.393 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -221.773 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: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2455.720079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.720079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.720079 (E_RNA) where: Base-Base interactions energy: -1648.561 where: short stacking energy: -721.236 Base-Backbone interact. energy: -1.759 local terms energy: -805.400323 where: bonds (distance) C4'-P energy: -149.224 bonds (distance) P-C4' energy: -159.512 flat angles C4'-P-C4' energy: -159.217 flat angles P-C4'-P energy: -121.078 tors. eta vs tors. theta energy: -216.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2383.075734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.075734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.075734 (E_RNA) where: Base-Base interactions energy: -1633.791 where: short stacking energy: -681.474 Base-Backbone interact. energy: -3.466 local terms energy: -745.818491 where: bonds (distance) C4'-P energy: -141.684 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -164.387 flat angles P-C4'-P energy: -103.081 tors. eta vs tors. theta energy: -202.534 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: 126 Temperature: 1.050000 Total energy: -2146.964462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.964462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.964462 (E_RNA) where: Base-Base interactions energy: -1463.295 where: short stacking energy: -643.929 Base-Backbone interact. energy: -2.238 local terms energy: -681.430679 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -138.989 flat angles C4'-P-C4' energy: -159.235 flat angles P-C4'-P energy: -88.075 tors. eta vs tors. theta energy: -169.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1985.572690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.572690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.572690 (E_RNA) where: Base-Base interactions energy: -1336.712 where: short stacking energy: -566.866 Base-Backbone interact. energy: -3.670 local terms energy: -645.190413 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -134.461 flat angles C4'-P-C4' energy: -146.085 flat angles P-C4'-P energy: -72.231 tors. eta vs tors. theta energy: -156.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1742.509437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.509437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.509437 (E_RNA) where: Base-Base interactions energy: -1134.618 where: short stacking energy: -493.683 Base-Backbone interact. energy: -2.776 local terms energy: -605.114854 where: bonds (distance) C4'-P energy: -132.979 bonds (distance) P-C4' energy: -123.170 flat angles C4'-P-C4' energy: -146.019 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -124.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1459.080251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.080251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.080251 (E_RNA) where: Base-Base interactions energy: -911.561 where: short stacking energy: -403.200 Base-Backbone interact. energy: -3.621 local terms energy: -543.897397 where: bonds (distance) C4'-P energy: -132.532 bonds (distance) P-C4' energy: -123.106 flat angles C4'-P-C4' energy: -129.094 flat angles P-C4'-P energy: -78.608 tors. eta vs tors. theta energy: -80.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -961.186081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.186081 (E_RNA) where: Base-Base interactions energy: -534.362 where: short stacking energy: -291.055 Base-Backbone interact. energy: 1.462 local terms energy: -428.286699 where: bonds (distance) C4'-P energy: -116.166 bonds (distance) P-C4' energy: -118.376 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -61.520 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -656.196545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.196545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.196545 (E_RNA) where: Base-Base interactions energy: -253.262 where: short stacking energy: -176.739 Base-Backbone interact. energy: -2.929 local terms energy: -400.005886 where: bonds (distance) C4'-P energy: -130.612 bonds (distance) P-C4' energy: -129.190 flat angles C4'-P-C4' energy: -125.225 flat angles P-C4'-P energy: -44.779 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: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -626.394757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.394757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.394757 (E_RNA) where: Base-Base interactions energy: -271.085 where: short stacking energy: -167.230 Base-Backbone interact. energy: 0.981 local terms energy: -356.291093 where: bonds (distance) C4'-P energy: -124.627 bonds (distance) P-C4' energy: -112.516 flat angles C4'-P-C4' energy: -84.837 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: 21.063 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: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2516.264163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.264163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.264163 (E_RNA) where: Base-Base interactions energy: -1733.298 where: short stacking energy: -704.894 Base-Backbone interact. energy: 1.339 local terms energy: -784.305053 where: bonds (distance) C4'-P energy: -152.832 bonds (distance) P-C4' energy: -148.543 flat angles C4'-P-C4' energy: -167.396 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -213.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2412.469189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.469189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.469189 (E_RNA) where: Base-Base interactions energy: -1607.044 where: short stacking energy: -727.855 Base-Backbone interact. energy: -0.582 local terms energy: -804.843316 where: bonds (distance) C4'-P energy: -150.215 bonds (distance) P-C4' energy: -160.281 flat angles C4'-P-C4' energy: -157.331 flat angles P-C4'-P energy: -122.281 tors. eta vs tors. theta energy: -214.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2372.455141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.455141 (E_RNA) where: Base-Base interactions energy: -1630.472 where: short stacking energy: -687.014 Base-Backbone interact. energy: -3.859 local terms energy: -738.124110 where: bonds (distance) C4'-P energy: -130.938 bonds (distance) P-C4' energy: -151.235 flat angles C4'-P-C4' energy: -166.906 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -195.718 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: 127 Temperature: 1.050000 Total energy: -2176.255901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.255901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.255901 (E_RNA) where: Base-Base interactions energy: -1458.267 where: short stacking energy: -632.598 Base-Backbone interact. energy: -3.704 local terms energy: -714.284838 where: bonds (distance) C4'-P energy: -129.481 bonds (distance) P-C4' energy: -144.182 flat angles C4'-P-C4' energy: -153.435 flat angles P-C4'-P energy: -91.023 tors. eta vs tors. theta energy: -196.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1982.091257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.091257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.091257 (E_RNA) where: Base-Base interactions energy: -1309.216 where: short stacking energy: -542.821 Base-Backbone interact. energy: -1.093 local terms energy: -671.782714 where: bonds (distance) C4'-P energy: -142.703 bonds (distance) P-C4' energy: -144.845 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -98.973 tors. eta vs tors. theta energy: -136.700 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: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1720.750936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.750936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.750936 (E_RNA) where: Base-Base interactions energy: -1135.991 where: short stacking energy: -483.141 Base-Backbone interact. energy: 5.404 local terms energy: -590.163555 where: bonds (distance) C4'-P energy: -116.706 bonds (distance) P-C4' energy: -143.926 flat angles C4'-P-C4' energy: -144.049 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: -112.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1425.397937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.397937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.397937 (E_RNA) where: Base-Base interactions energy: -890.772 where: short stacking energy: -419.859 Base-Backbone interact. energy: -0.089 local terms energy: -534.537170 where: bonds (distance) C4'-P energy: -128.657 bonds (distance) P-C4' energy: -134.092 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -78.261 tors. eta vs tors. theta energy: -68.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -943.108332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.108332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.108332 (E_RNA) where: Base-Base interactions energy: -495.889 where: short stacking energy: -274.945 Base-Backbone interact. energy: -0.079 local terms energy: -447.140926 where: bonds (distance) C4'-P energy: -125.201 bonds (distance) P-C4' energy: -127.434 flat angles C4'-P-C4' energy: -112.200 flat angles P-C4'-P energy: -82.238 tors. eta vs tors. theta energy: -0.068 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: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -596.155429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.155429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.155429 (E_RNA) where: Base-Base interactions energy: -221.723 where: short stacking energy: -161.544 Base-Backbone interact. energy: 9.013 local terms energy: -383.445264 where: bonds (distance) C4'-P energy: -123.254 bonds (distance) P-C4' energy: -142.245 flat angles C4'-P-C4' energy: -91.964 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: 34.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -677.273034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.273034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.273034 (E_RNA) where: Base-Base interactions energy: -310.248 where: short stacking energy: -213.918 Base-Backbone interact. energy: 3.670 local terms energy: -370.694917 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -112.074 flat angles C4'-P-C4' energy: -81.345 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: 14.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2520.025513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.025513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.025513 (E_RNA) where: Base-Base interactions energy: -1708.931 where: short stacking energy: -693.732 Base-Backbone interact. energy: -2.276 local terms energy: -808.818037 where: bonds (distance) C4'-P energy: -151.855 bonds (distance) P-C4' energy: -154.358 flat angles C4'-P-C4' energy: -173.670 flat angles P-C4'-P energy: -116.934 tors. eta vs tors. theta energy: -212.002 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: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2425.910075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.910075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.910075 (E_RNA) where: Base-Base interactions energy: -1623.870 where: short stacking energy: -716.262 Base-Backbone interact. energy: -2.714 local terms energy: -799.325806 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -154.192 flat angles C4'-P-C4' energy: -170.908 flat angles P-C4'-P energy: -115.665 tors. eta vs tors. theta energy: -211.791 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: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2391.333746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.333746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.333746 (E_RNA) where: Base-Base interactions energy: -1657.161 where: short stacking energy: -682.040 Base-Backbone interact. energy: -3.675 local terms energy: -730.497504 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -145.383 flat angles C4'-P-C4' energy: -150.458 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -205.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2172.972390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.972390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.972390 (E_RNA) where: Base-Base interactions energy: -1475.377 where: short stacking energy: -632.168 Base-Backbone interact. energy: -2.453 local terms energy: -695.142478 where: bonds (distance) C4'-P energy: -137.858 bonds (distance) P-C4' energy: -137.567 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -108.601 tors. eta vs tors. theta energy: -170.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1979.000179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.000179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.000179 (E_RNA) where: Base-Base interactions energy: -1299.405 where: short stacking energy: -579.460 Base-Backbone interact. energy: 0.153 local terms energy: -679.747975 where: bonds (distance) C4'-P energy: -145.188 bonds (distance) P-C4' energy: -146.265 flat angles C4'-P-C4' energy: -137.076 flat angles P-C4'-P energy: -83.540 tors. eta vs tors. theta energy: -167.680 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: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1659.419966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.419966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.419966 (E_RNA) where: Base-Base interactions energy: -1064.542 where: short stacking energy: -474.592 Base-Backbone interact. energy: 8.472 local terms energy: -603.349858 where: bonds (distance) C4'-P energy: -122.446 bonds (distance) P-C4' energy: -125.544 flat angles C4'-P-C4' energy: -144.279 flat angles P-C4'-P energy: -88.594 tors. eta vs tors. theta energy: -122.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1416.136596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.136596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.136596 (E_RNA) where: Base-Base interactions energy: -878.934 where: short stacking energy: -382.345 Base-Backbone interact. energy: -2.410 local terms energy: -534.793207 where: bonds (distance) C4'-P energy: -113.226 bonds (distance) P-C4' energy: -131.763 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -71.339 tors. eta vs tors. theta energy: -84.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -912.951977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.951977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.951977 (E_RNA) where: Base-Base interactions energy: -459.441 where: short stacking energy: -236.019 Base-Backbone interact. energy: -1.903 local terms energy: -451.608202 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -133.415 flat angles C4'-P-C4' energy: -124.666 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -13.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -725.377945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.377945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.377945 (E_RNA) where: Base-Base interactions energy: -332.047 where: short stacking energy: -224.052 Base-Backbone interact. energy: 1.956 local terms energy: -395.286737 where: bonds (distance) C4'-P energy: -124.565 bonds (distance) P-C4' energy: -108.262 flat angles C4'-P-C4' energy: -92.562 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: 6.297 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: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -567.433595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.433595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.433595 (E_RNA) where: Base-Base interactions energy: -189.149 where: short stacking energy: -140.971 Base-Backbone interact. energy: -2.396 local terms energy: -375.889342 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -138.961 flat angles C4'-P-C4' energy: -104.713 flat angles P-C4'-P energy: -37.866 tors. eta vs tors. theta energy: 16.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2518.799643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.799643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.799643 (E_RNA) where: Base-Base interactions energy: -1727.385 where: short stacking energy: -710.894 Base-Backbone interact. energy: -2.918 local terms energy: -788.496320 where: bonds (distance) C4'-P energy: -131.676 bonds (distance) P-C4' energy: -158.105 flat angles C4'-P-C4' energy: -164.790 flat angles P-C4'-P energy: -122.567 tors. eta vs tors. theta energy: -211.359 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: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2457.530773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.530773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.530773 (E_RNA) where: Base-Base interactions energy: -1693.049 where: short stacking energy: -726.153 Base-Backbone interact. energy: -0.582 local terms energy: -763.900271 where: bonds (distance) C4'-P energy: -146.797 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -157.939 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -208.173 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: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2379.169061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.169061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.169061 (E_RNA) where: Base-Base interactions energy: -1644.864 where: short stacking energy: -662.647 Base-Backbone interact. energy: -2.161 local terms energy: -732.143803 where: bonds (distance) C4'-P energy: -122.010 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -157.871 flat angles P-C4'-P energy: -110.221 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2139.387641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.387641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.387641 (E_RNA) where: Base-Base interactions energy: -1445.567 where: short stacking energy: -611.385 Base-Backbone interact. energy: -3.061 local terms energy: -690.759247 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -133.594 flat angles C4'-P-C4' energy: -158.131 flat angles P-C4'-P energy: -90.921 tors. eta vs tors. theta energy: -168.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1914.062371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.062371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.062371 (E_RNA) where: Base-Base interactions energy: -1265.804 where: short stacking energy: -528.835 Base-Backbone interact. energy: 0.444 local terms energy: -648.702041 where: bonds (distance) C4'-P energy: -116.946 bonds (distance) P-C4' energy: -138.970 flat angles C4'-P-C4' energy: -150.329 flat angles P-C4'-P energy: -88.001 tors. eta vs tors. theta energy: -154.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1756.078936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.078936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.078936 (E_RNA) where: Base-Base interactions energy: -1136.834 where: short stacking energy: -496.900 Base-Backbone interact. energy: -2.635 local terms energy: -616.609536 where: bonds (distance) C4'-P energy: -121.751 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -155.484 flat angles P-C4'-P energy: -76.082 tors. eta vs tors. theta energy: -133.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1439.102112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.102112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.102112 (E_RNA) where: Base-Base interactions energy: -907.071 where: short stacking energy: -424.524 Base-Backbone interact. energy: -3.721 local terms energy: -528.310199 where: bonds (distance) C4'-P energy: -137.192 bonds (distance) P-C4' energy: -103.458 flat angles C4'-P-C4' energy: -144.038 flat angles P-C4'-P energy: -60.916 tors. eta vs tors. theta energy: -82.706 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: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -933.906812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.906812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.906812 (E_RNA) where: Base-Base interactions energy: -489.368 where: short stacking energy: -261.223 Base-Backbone interact. energy: 2.975 local terms energy: -447.514345 where: bonds (distance) C4'-P energy: -121.099 bonds (distance) P-C4' energy: -125.814 flat angles C4'-P-C4' energy: -118.786 flat angles P-C4'-P energy: -74.613 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -704.174656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.174656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.174656 (E_RNA) where: Base-Base interactions energy: -301.844 where: short stacking energy: -188.138 Base-Backbone interact. energy: -1.947 local terms energy: -400.383755 where: bonds (distance) C4'-P energy: -121.987 bonds (distance) P-C4' energy: -137.511 flat angles C4'-P-C4' energy: -98.208 flat angles P-C4'-P energy: -53.162 tors. eta vs tors. theta energy: 10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -609.459793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.459793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.459793 (E_RNA) where: Base-Base interactions energy: -246.276 where: short stacking energy: -174.136 Base-Backbone interact. energy: 2.468 local terms energy: -365.652647 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -128.089 flat angles C4'-P-C4' energy: -77.027 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: 25.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2549.575028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.575028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.575028 (E_RNA) where: Base-Base interactions energy: -1732.106 where: short stacking energy: -726.981 Base-Backbone interact. energy: 1.642 local terms energy: -819.111102 where: bonds (distance) C4'-P energy: -157.101 bonds (distance) P-C4' energy: -147.872 flat angles C4'-P-C4' energy: -167.068 flat angles P-C4'-P energy: -131.811 tors. eta vs tors. theta energy: -215.259 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: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2465.453643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.453643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.453643 (E_RNA) where: Base-Base interactions energy: -1684.554 where: short stacking energy: -712.292 Base-Backbone interact. energy: -1.663 local terms energy: -779.236646 where: bonds (distance) C4'-P energy: -141.492 bonds (distance) P-C4' energy: -151.589 flat angles C4'-P-C4' energy: -170.515 flat angles P-C4'-P energy: -98.892 tors. eta vs tors. theta energy: -216.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2376.035998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.035998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.035998 (E_RNA) where: Base-Base interactions energy: -1630.617 where: short stacking energy: -686.109 Base-Backbone interact. energy: -1.928 local terms energy: -743.490791 where: bonds (distance) C4'-P energy: -134.962 bonds (distance) P-C4' energy: -130.332 flat angles C4'-P-C4' energy: -160.211 flat angles P-C4'-P energy: -118.691 tors. eta vs tors. theta energy: -199.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2146.004702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.004702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.004702 (E_RNA) where: Base-Base interactions energy: -1439.853 where: short stacking energy: -593.037 Base-Backbone interact. energy: -2.244 local terms energy: -703.908241 where: bonds (distance) C4'-P energy: -135.581 bonds (distance) P-C4' energy: -133.692 flat angles C4'-P-C4' energy: -169.522 flat angles P-C4'-P energy: -91.748 tors. eta vs tors. theta energy: -173.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1972.255326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.255326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.255326 (E_RNA) where: Base-Base interactions energy: -1331.916 where: short stacking energy: -580.222 Base-Backbone interact. energy: 0.689 local terms energy: -641.028473 where: bonds (distance) C4'-P energy: -127.132 bonds (distance) P-C4' energy: -120.001 flat angles C4'-P-C4' energy: -135.552 flat angles P-C4'-P energy: -94.156 tors. eta vs tors. theta energy: -164.187 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: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1764.383448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.383448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.383448 (E_RNA) where: Base-Base interactions energy: -1135.831 where: short stacking energy: -492.830 Base-Backbone interact. energy: -0.543 local terms energy: -628.009385 where: bonds (distance) C4'-P energy: -126.920 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -138.817 flat angles P-C4'-P energy: -83.429 tors. eta vs tors. theta energy: -142.043 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1484.570547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.570547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.570547 (E_RNA) where: Base-Base interactions energy: -935.500 where: short stacking energy: -420.650 Base-Backbone interact. energy: 0.552 local terms energy: -549.622215 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -123.085 flat angles C4'-P-C4' energy: -137.440 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -80.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -910.891785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.891785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.891785 (E_RNA) where: Base-Base interactions energy: -484.367 where: short stacking energy: -257.972 Base-Backbone interact. energy: 0.085 local terms energy: -426.609822 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -136.516 flat angles C4'-P-C4' energy: -98.247 flat angles P-C4'-P energy: -61.323 tors. eta vs tors. theta energy: -12.880 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: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -692.675205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.675205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.675205 (E_RNA) where: Base-Base interactions energy: -293.842 where: short stacking energy: -192.440 Base-Backbone interact. energy: 5.279 local terms energy: -404.111794 where: bonds (distance) C4'-P energy: -131.343 bonds (distance) P-C4' energy: -114.026 flat angles C4'-P-C4' energy: -98.697 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: 17.447 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: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -630.338390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.338390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.338390 (E_RNA) where: Base-Base interactions energy: -273.743 where: short stacking energy: -164.800 Base-Backbone interact. energy: -0.505 local terms energy: -356.090786 where: bonds (distance) C4'-P energy: -119.337 bonds (distance) P-C4' energy: -134.010 flat angles C4'-P-C4' energy: -79.270 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: 26.433 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: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2523.603567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.603567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.603567 (E_RNA) where: Base-Base interactions energy: -1715.590 where: short stacking energy: -703.290 Base-Backbone interact. energy: -1.513 local terms energy: -806.500147 where: bonds (distance) C4'-P energy: -145.615 bonds (distance) P-C4' energy: -153.259 flat angles C4'-P-C4' energy: -172.735 flat angles P-C4'-P energy: -121.051 tors. eta vs tors. theta energy: -213.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2445.657423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.657423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.657423 (E_RNA) where: Base-Base interactions energy: -1647.979 where: short stacking energy: -698.548 Base-Backbone interact. energy: -0.724 local terms energy: -796.953909 where: bonds (distance) C4'-P energy: -145.598 bonds (distance) P-C4' energy: -152.804 flat angles C4'-P-C4' energy: -183.168 flat angles P-C4'-P energy: -116.166 tors. eta vs tors. theta energy: -199.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2350.182719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.182719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.182719 (E_RNA) where: Base-Base interactions energy: -1598.531 where: short stacking energy: -673.637 Base-Backbone interact. energy: -0.017 local terms energy: -751.634807 where: bonds (distance) C4'-P energy: -143.791 bonds (distance) P-C4' energy: -137.004 flat angles C4'-P-C4' energy: -166.133 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -198.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2135.197780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.197780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.197780 (E_RNA) where: Base-Base interactions energy: -1432.241 where: short stacking energy: -622.915 Base-Backbone interact. energy: -2.143 local terms energy: -700.814653 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -162.086 flat angles P-C4'-P energy: -94.227 tors. eta vs tors. theta energy: -172.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2047.392177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.392177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.392177 (E_RNA) where: Base-Base interactions energy: -1383.592 where: short stacking energy: -566.217 Base-Backbone interact. energy: -3.036 local terms energy: -660.763499 where: bonds (distance) C4'-P energy: -130.554 bonds (distance) P-C4' energy: -150.404 flat angles C4'-P-C4' energy: -139.145 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -163.250 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: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1799.613129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.613129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.613129 (E_RNA) where: Base-Base interactions energy: -1140.878 where: short stacking energy: -512.197 Base-Backbone interact. energy: -0.264 local terms energy: -658.471106 where: bonds (distance) C4'-P energy: -140.686 bonds (distance) P-C4' energy: -134.566 flat angles C4'-P-C4' energy: -151.829 flat angles P-C4'-P energy: -91.950 tors. eta vs tors. theta energy: -139.439 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: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1526.643552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.643552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.643552 (E_RNA) where: Base-Base interactions energy: -936.704 where: short stacking energy: -401.145 Base-Backbone interact. energy: 1.220 local terms energy: -591.160165 where: bonds (distance) C4'-P energy: -135.100 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -134.291 flat angles P-C4'-P energy: -98.823 tors. eta vs tors. theta energy: -83.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -870.108630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.108630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.108630 (E_RNA) where: Base-Base interactions energy: -430.154 where: short stacking energy: -252.053 Base-Backbone interact. energy: 5.799 local terms energy: -445.753262 where: bonds (distance) C4'-P energy: -135.227 bonds (distance) P-C4' energy: -125.513 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -72.706 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: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -699.567363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.567363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.567363 (E_RNA) where: Base-Base interactions energy: -313.734 where: short stacking energy: -176.248 Base-Backbone interact. energy: -2.009 local terms energy: -383.825133 where: bonds (distance) C4'-P energy: -115.639 bonds (distance) P-C4' energy: -125.673 flat angles C4'-P-C4' energy: -104.806 flat angles P-C4'-P energy: -56.934 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: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -632.658277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.658277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.658277 (E_RNA) where: Base-Base interactions energy: -253.707 where: short stacking energy: -162.344 Base-Backbone interact. energy: 4.553 local terms energy: -383.503709 where: bonds (distance) C4'-P energy: -105.110 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -95.738 flat angles P-C4'-P energy: -73.814 tors. eta vs tors. theta energy: 28.190 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: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2495.437471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.437471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.437471 (E_RNA) where: Base-Base interactions energy: -1695.567 where: short stacking energy: -725.474 Base-Backbone interact. energy: -1.667 local terms energy: -798.203430 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -162.657 flat angles C4'-P-C4' energy: -163.537 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -216.758 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: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2452.565066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.565066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.565066 (E_RNA) where: Base-Base interactions energy: -1661.435 where: short stacking energy: -722.826 Base-Backbone interact. energy: -5.754 local terms energy: -785.376675 where: bonds (distance) C4'-P energy: -138.434 bonds (distance) P-C4' energy: -151.571 flat angles C4'-P-C4' energy: -172.293 flat angles P-C4'-P energy: -101.515 tors. eta vs tors. theta energy: -221.564 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2357.347145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.347145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.347145 (E_RNA) where: Base-Base interactions energy: -1595.173 where: short stacking energy: -676.319 Base-Backbone interact. energy: 1.224 local terms energy: -763.398250 where: bonds (distance) C4'-P energy: -134.793 bonds (distance) P-C4' energy: -156.152 flat angles C4'-P-C4' energy: -163.443 flat angles P-C4'-P energy: -115.408 tors. eta vs tors. theta energy: -193.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2148.732301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.732301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.732301 (E_RNA) where: Base-Base interactions energy: -1456.434 where: short stacking energy: -644.034 Base-Backbone interact. energy: 2.385 local terms energy: -694.683231 where: bonds (distance) C4'-P energy: -124.035 bonds (distance) P-C4' energy: -127.361 flat angles C4'-P-C4' energy: -159.468 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -189.797 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: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2118.039044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.039044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.039044 (E_RNA) where: Base-Base interactions energy: -1397.405 where: short stacking energy: -573.598 Base-Backbone interact. energy: 0.049 local terms energy: -720.682494 where: bonds (distance) C4'-P energy: -137.748 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -157.902 flat angles P-C4'-P energy: -116.861 tors. eta vs tors. theta energy: -167.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1808.193056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.193056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.193056 (E_RNA) where: Base-Base interactions energy: -1181.731 where: short stacking energy: -536.929 Base-Backbone interact. energy: 4.343 local terms energy: -630.804911 where: bonds (distance) C4'-P energy: -124.011 bonds (distance) P-C4' energy: -135.100 flat angles C4'-P-C4' energy: -147.011 flat angles P-C4'-P energy: -94.903 tors. eta vs tors. theta energy: -129.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1470.507653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.507653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.507653 (E_RNA) where: Base-Base interactions energy: -914.016 where: short stacking energy: -387.242 Base-Backbone interact. energy: -0.959 local terms energy: -555.533043 where: bonds (distance) C4'-P energy: -138.910 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -75.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -846.359256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.359256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.359256 (E_RNA) where: Base-Base interactions energy: -426.751 where: short stacking energy: -224.629 Base-Backbone interact. energy: 3.993 local terms energy: -423.600770 where: bonds (distance) C4'-P energy: -121.182 bonds (distance) P-C4' energy: -134.387 flat angles C4'-P-C4' energy: -106.968 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: 12.013 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: 132 Temperature: 1.300000 Total energy: -713.406703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.406703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.406703 (E_RNA) where: Base-Base interactions energy: -305.365 where: short stacking energy: -196.436 Base-Backbone interact. energy: -1.443 local terms energy: -406.598683 where: bonds (distance) C4'-P energy: -126.014 bonds (distance) P-C4' energy: -131.960 flat angles C4'-P-C4' energy: -125.093 flat angles P-C4'-P energy: -33.638 tors. eta vs tors. theta energy: 10.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -631.581503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.581503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.581503 (E_RNA) where: Base-Base interactions energy: -241.837 where: short stacking energy: -157.293 Base-Backbone interact. energy: 6.615 local terms energy: -396.359223 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -108.096 flat angles P-C4'-P energy: -50.897 tors. eta vs tors. theta energy: 19.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2513.008395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.008395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.008395 (E_RNA) where: Base-Base interactions energy: -1708.963 where: short stacking energy: -756.227 Base-Backbone interact. energy: -4.339 local terms energy: -799.706305 where: bonds (distance) C4'-P energy: -151.076 bonds (distance) P-C4' energy: -155.927 flat angles C4'-P-C4' energy: -170.916 flat angles P-C4'-P energy: -102.429 tors. eta vs tors. theta energy: -219.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2457.323206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.323206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.323206 (E_RNA) where: Base-Base interactions energy: -1666.712 where: short stacking energy: -727.162 Base-Backbone interact. energy: -3.013 local terms energy: -787.597488 where: bonds (distance) C4'-P energy: -154.622 bonds (distance) P-C4' energy: -130.695 flat angles C4'-P-C4' energy: -150.787 flat angles P-C4'-P energy: -124.059 tors. eta vs tors. theta energy: -227.434 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: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2399.159251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.159251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.159251 (E_RNA) where: Base-Base interactions energy: -1640.008 where: short stacking energy: -702.248 Base-Backbone interact. energy: 0.735 local terms energy: -759.886380 where: bonds (distance) C4'-P energy: -129.627 bonds (distance) P-C4' energy: -143.404 flat angles C4'-P-C4' energy: -168.597 flat angles P-C4'-P energy: -107.726 tors. eta vs tors. theta energy: -210.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2112.042960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.042960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.042960 (E_RNA) where: Base-Base interactions energy: -1408.052 where: short stacking energy: -610.438 Base-Backbone interact. energy: -2.005 local terms energy: -701.985915 where: bonds (distance) C4'-P energy: -119.103 bonds (distance) P-C4' energy: -134.443 flat angles C4'-P-C4' energy: -163.862 flat angles P-C4'-P energy: -115.438 tors. eta vs tors. theta energy: -169.140 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: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2063.687579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.687579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.687579 (E_RNA) where: Base-Base interactions energy: -1391.309 where: short stacking energy: -569.444 Base-Backbone interact. energy: 0.198 local terms energy: -672.576517 where: bonds (distance) C4'-P energy: -137.176 bonds (distance) P-C4' energy: -131.287 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -154.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1763.962536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.962536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.962536 (E_RNA) where: Base-Base interactions energy: -1154.138 where: short stacking energy: -516.887 Base-Backbone interact. energy: -3.298 local terms energy: -606.527066 where: bonds (distance) C4'-P energy: -132.734 bonds (distance) P-C4' energy: -132.569 flat angles C4'-P-C4' energy: -146.704 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -114.792 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: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1577.880708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.880708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.880708 (E_RNA) where: Base-Base interactions energy: -1023.160 where: short stacking energy: -446.748 Base-Backbone interact. energy: 3.466 local terms energy: -558.187521 where: bonds (distance) C4'-P energy: -111.587 bonds (distance) P-C4' energy: -128.347 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -77.179 tors. eta vs tors. theta energy: -103.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -905.681757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.681757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.681757 (E_RNA) where: Base-Base interactions energy: -424.462 where: short stacking energy: -240.343 Base-Backbone interact. energy: -1.682 local terms energy: -479.537841 where: bonds (distance) C4'-P energy: -132.615 bonds (distance) P-C4' energy: -131.420 flat angles C4'-P-C4' energy: -117.648 flat angles P-C4'-P energy: -74.946 tors. eta vs tors. theta energy: -22.909 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: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -668.045780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.045780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.045780 (E_RNA) where: Base-Base interactions energy: -292.293 where: short stacking energy: -151.922 Base-Backbone interact. energy: 0.117 local terms energy: -375.869858 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -123.293 flat angles C4'-P-C4' energy: -105.740 flat angles P-C4'-P energy: -66.571 tors. eta vs tors. theta energy: 29.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -632.603988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.603988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.603988 (E_RNA) where: Base-Base interactions energy: -270.195 where: short stacking energy: -160.194 Base-Backbone interact. energy: -0.093 local terms energy: -362.316136 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -132.080 flat angles C4'-P-C4' energy: -83.449 flat angles P-C4'-P energy: -54.686 tors. eta vs tors. theta energy: 36.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2561.164069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.164069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.164069 (E_RNA) where: Base-Base interactions energy: -1731.116 where: short stacking energy: -764.998 Base-Backbone interact. energy: -1.657 local terms energy: -828.390493 where: bonds (distance) C4'-P energy: -145.304 bonds (distance) P-C4' energy: -156.646 flat angles C4'-P-C4' energy: -190.011 flat angles P-C4'-P energy: -104.555 tors. eta vs tors. theta energy: -231.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2440.481568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.481568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.481568 (E_RNA) where: Base-Base interactions energy: -1652.641 where: short stacking energy: -744.099 Base-Backbone interact. energy: -1.882 local terms energy: -785.959208 where: bonds (distance) C4'-P energy: -124.505 bonds (distance) P-C4' energy: -162.143 flat angles C4'-P-C4' energy: -163.949 flat angles P-C4'-P energy: -112.896 tors. eta vs tors. theta energy: -222.467 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: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2362.869032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.869032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.869032 (E_RNA) where: Base-Base interactions energy: -1625.019 where: short stacking energy: -706.156 Base-Backbone interact. energy: -1.041 local terms energy: -736.809403 where: bonds (distance) C4'-P energy: -142.573 bonds (distance) P-C4' energy: -147.313 flat angles C4'-P-C4' energy: -155.708 flat angles P-C4'-P energy: -100.033 tors. eta vs tors. theta energy: -191.182 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: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2159.205685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.205685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.205685 (E_RNA) where: Base-Base interactions energy: -1448.294 where: short stacking energy: -602.386 Base-Backbone interact. energy: -0.587 local terms energy: -710.324501 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -138.303 flat angles C4'-P-C4' energy: -157.299 flat angles P-C4'-P energy: -100.616 tors. eta vs tors. theta energy: -170.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2073.996116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.996116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.996116 (E_RNA) where: Base-Base interactions energy: -1405.179 where: short stacking energy: -609.958 Base-Backbone interact. energy: -2.538 local terms energy: -666.278911 where: bonds (distance) C4'-P energy: -129.062 bonds (distance) P-C4' energy: -129.734 flat angles C4'-P-C4' energy: -145.955 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -173.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1812.840022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.840022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.840022 (E_RNA) where: Base-Base interactions energy: -1143.900 where: short stacking energy: -487.200 Base-Backbone interact. energy: -1.967 local terms energy: -666.973463 where: bonds (distance) C4'-P energy: -139.145 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -145.482 flat angles P-C4'-P energy: -91.854 tors. eta vs tors. theta energy: -149.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1521.430867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.430867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.430867 (E_RNA) where: Base-Base interactions energy: -938.551 where: short stacking energy: -416.031 Base-Backbone interact. energy: -3.783 local terms energy: -579.097576 where: bonds (distance) C4'-P energy: -127.326 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -137.625 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -95.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -816.581373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.581373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.581373 (E_RNA) where: Base-Base interactions energy: -409.384 where: short stacking energy: -232.699 Base-Backbone interact. energy: -1.067 local terms energy: -406.130395 where: bonds (distance) C4'-P energy: -114.103 bonds (distance) P-C4' energy: -109.405 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -77.243 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: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -686.108871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.108871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.108871 (E_RNA) where: Base-Base interactions energy: -279.695 where: short stacking energy: -196.825 Base-Backbone interact. energy: 2.386 local terms energy: -408.799874 where: bonds (distance) C4'-P energy: -123.208 bonds (distance) P-C4' energy: -113.657 flat angles C4'-P-C4' energy: -118.378 flat angles P-C4'-P energy: -43.796 tors. eta vs tors. theta energy: -9.761 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: 134 Temperature: 1.350000 Total energy: -614.082688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.082688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.082688 (E_RNA) where: Base-Base interactions energy: -223.451 where: short stacking energy: -147.943 Base-Backbone interact. energy: 4.776 local terms energy: -395.407945 where: bonds (distance) C4'-P energy: -122.603 bonds (distance) P-C4' energy: -138.836 flat angles C4'-P-C4' energy: -103.119 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: 33.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2533.807908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.807908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.807908 (E_RNA) where: Base-Base interactions energy: -1729.380 where: short stacking energy: -742.545 Base-Backbone interact. energy: -0.023 local terms energy: -804.404743 where: bonds (distance) C4'-P energy: -131.340 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -173.869 flat angles P-C4'-P energy: -120.282 tors. eta vs tors. theta energy: -223.951 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: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2490.135228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.135228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.135228 (E_RNA) where: Base-Base interactions energy: -1677.887 where: short stacking energy: -713.748 Base-Backbone interact. energy: -1.176 local terms energy: -811.071644 where: bonds (distance) C4'-P energy: -134.492 bonds (distance) P-C4' energy: -161.135 flat angles C4'-P-C4' energy: -169.304 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -233.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2381.858601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.858601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.858601 (E_RNA) where: Base-Base interactions energy: -1609.677 where: short stacking energy: -665.435 Base-Backbone interact. energy: -1.831 local terms energy: -770.351277 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -147.196 flat angles C4'-P-C4' energy: -169.436 flat angles P-C4'-P energy: -109.966 tors. eta vs tors. theta energy: -191.450 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: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2157.120333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.120333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.120333 (E_RNA) where: Base-Base interactions energy: -1445.631 where: short stacking energy: -596.868 Base-Backbone interact. energy: -1.201 local terms energy: -710.288817 where: bonds (distance) C4'-P energy: -148.077 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -156.156 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -166.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2098.033996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.033996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.033996 (E_RNA) where: Base-Base interactions energy: -1396.388 where: short stacking energy: -589.268 Base-Backbone interact. energy: -0.176 local terms energy: -701.470371 where: bonds (distance) C4'-P energy: -140.324 bonds (distance) P-C4' energy: -141.397 flat angles C4'-P-C4' energy: -148.457 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -167.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1863.883689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.883689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.883689 (E_RNA) where: Base-Base interactions energy: -1194.159 where: short stacking energy: -532.950 Base-Backbone interact. energy: -2.394 local terms energy: -667.330857 where: bonds (distance) C4'-P energy: -138.003 bonds (distance) P-C4' energy: -129.131 flat angles C4'-P-C4' energy: -146.372 flat angles P-C4'-P energy: -108.980 tors. eta vs tors. theta energy: -144.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1606.705864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.705864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.705864 (E_RNA) where: Base-Base interactions energy: -1003.710 where: short stacking energy: -467.060 Base-Backbone interact. energy: 0.272 local terms energy: -603.268153 where: bonds (distance) C4'-P energy: -122.371 bonds (distance) P-C4' energy: -128.914 flat angles C4'-P-C4' energy: -143.896 flat angles P-C4'-P energy: -99.579 tors. eta vs tors. theta energy: -108.508 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: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -820.949935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.949935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.949935 (E_RNA) where: Base-Base interactions energy: -374.659 where: short stacking energy: -237.970 Base-Backbone interact. energy: 0.052 local terms energy: -446.342426 where: bonds (distance) C4'-P energy: -115.071 bonds (distance) P-C4' energy: -141.488 flat angles C4'-P-C4' energy: -122.003 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -741.934918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.934918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.934918 (E_RNA) where: Base-Base interactions energy: -341.670 where: short stacking energy: -230.813 Base-Backbone interact. energy: 0.828 local terms energy: -401.093442 where: bonds (distance) C4'-P energy: -108.429 bonds (distance) P-C4' energy: -134.372 flat angles C4'-P-C4' energy: -95.669 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: 4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -576.179862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.179862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.179862 (E_RNA) where: Base-Base interactions energy: -210.042 where: short stacking energy: -165.217 Base-Backbone interact. energy: 5.692 local terms energy: -371.829875 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -107.237 flat angles C4'-P-C4' energy: -111.715 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: 11.640 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: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2557.820095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.820095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.820095 (E_RNA) where: Base-Base interactions energy: -1768.295 where: short stacking energy: -739.984 Base-Backbone interact. energy: 2.138 local terms energy: -791.662897 where: bonds (distance) C4'-P energy: -141.674 bonds (distance) P-C4' energy: -149.505 flat angles C4'-P-C4' energy: -176.381 flat angles P-C4'-P energy: -116.825 tors. eta vs tors. theta energy: -207.278 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: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2513.292341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.292341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.292341 (E_RNA) where: Base-Base interactions energy: -1680.794 where: short stacking energy: -713.635 Base-Backbone interact. energy: -4.641 local terms energy: -827.856941 where: bonds (distance) C4'-P energy: -148.363 bonds (distance) P-C4' energy: -166.359 flat angles C4'-P-C4' energy: -170.058 flat angles P-C4'-P energy: -120.777 tors. eta vs tors. theta energy: -222.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2372.282054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.282054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.282054 (E_RNA) where: Base-Base interactions energy: -1641.397 where: short stacking energy: -692.231 Base-Backbone interact. energy: -1.282 local terms energy: -729.603117 where: bonds (distance) C4'-P energy: -145.582 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -142.788 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -203.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2182.347813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.347813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.347813 (E_RNA) where: Base-Base interactions energy: -1479.507 where: short stacking energy: -639.362 Base-Backbone interact. energy: 1.627 local terms energy: -704.468392 where: bonds (distance) C4'-P energy: -129.502 bonds (distance) P-C4' energy: -126.488 flat angles C4'-P-C4' energy: -159.401 flat angles P-C4'-P energy: -104.205 tors. eta vs tors. theta energy: -184.873 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: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2099.417441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.417441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.417441 (E_RNA) where: Base-Base interactions energy: -1425.489 where: short stacking energy: -604.454 Base-Backbone interact. energy: -4.513 local terms energy: -669.415979 where: bonds (distance) C4'-P energy: -121.632 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -133.195 flat angles P-C4'-P energy: -109.398 tors. eta vs tors. theta energy: -161.152 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: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1848.916048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.916048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.916048 (E_RNA) where: Base-Base interactions energy: -1204.882 where: short stacking energy: -524.012 Base-Backbone interact. energy: 1.126 local terms energy: -645.160074 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -144.472 flat angles C4'-P-C4' energy: -138.488 flat angles P-C4'-P energy: -87.772 tors. eta vs tors. theta energy: -138.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1581.909205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.909205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.909205 (E_RNA) where: Base-Base interactions energy: -1003.394 where: short stacking energy: -466.581 Base-Backbone interact. energy: -0.337 local terms energy: -578.178243 where: bonds (distance) C4'-P energy: -114.760 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -91.525 tors. eta vs tors. theta energy: -103.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -891.100001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.100001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.100001 (E_RNA) where: Base-Base interactions energy: -439.358 where: short stacking energy: -253.467 Base-Backbone interact. energy: -1.848 local terms energy: -449.894162 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -126.610 flat angles C4'-P-C4' energy: -123.334 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -10.388 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: 136 Temperature: 1.300000 Total energy: -617.863553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.863553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.863553 (E_RNA) where: Base-Base interactions energy: -214.512 where: short stacking energy: -151.651 Base-Backbone interact. energy: 5.265 local terms energy: -408.617194 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -103.946 flat angles P-C4'-P energy: -73.034 tors. eta vs tors. theta energy: 26.650 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: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -647.009416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.009416 (E_RNA) where: Base-Base interactions energy: -253.106 where: short stacking energy: -170.513 Base-Backbone interact. energy: -2.765 local terms energy: -391.137625 where: bonds (distance) C4'-P energy: -117.719 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -101.262 flat angles P-C4'-P energy: -50.371 tors. eta vs tors. theta energy: 7.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2564.642796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.642796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.642796 (E_RNA) where: Base-Base interactions energy: -1732.515 where: short stacking energy: -740.174 Base-Backbone interact. energy: 0.475 local terms energy: -832.603770 where: bonds (distance) C4'-P energy: -151.547 bonds (distance) P-C4' energy: -165.813 flat angles C4'-P-C4' energy: -176.874 flat angles P-C4'-P energy: -124.781 tors. eta vs tors. theta energy: -213.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2468.429648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.429648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.429648 (E_RNA) where: Base-Base interactions energy: -1685.412 where: short stacking energy: -719.133 Base-Backbone interact. energy: -3.683 local terms energy: -779.334511 where: bonds (distance) C4'-P energy: -139.585 bonds (distance) P-C4' energy: -158.393 flat angles C4'-P-C4' energy: -155.470 flat angles P-C4'-P energy: -115.912 tors. eta vs tors. theta energy: -209.975 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: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2357.294340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.294340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.294340 (E_RNA) where: Base-Base interactions energy: -1632.734 where: short stacking energy: -687.303 Base-Backbone interact. energy: -4.630 local terms energy: -719.930149 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -139.711 flat angles C4'-P-C4' energy: -143.551 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -195.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2164.621001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.621001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.621001 (E_RNA) where: Base-Base interactions energy: -1478.964 where: short stacking energy: -620.753 Base-Backbone interact. energy: -2.313 local terms energy: -683.343663 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -142.805 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -102.761 tors. eta vs tors. theta energy: -169.618 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2108.935125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.935125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.935125 (E_RNA) where: Base-Base interactions energy: -1415.289 where: short stacking energy: -609.785 Base-Backbone interact. energy: -3.614 local terms energy: -690.032307 where: bonds (distance) C4'-P energy: -133.309 bonds (distance) P-C4' energy: -140.938 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -99.318 tors. eta vs tors. theta energy: -169.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1849.549512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.549512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.549512 (E_RNA) where: Base-Base interactions energy: -1247.991 where: short stacking energy: -572.313 Base-Backbone interact. energy: -2.144 local terms energy: -599.415024 where: bonds (distance) C4'-P energy: -130.454 bonds (distance) P-C4' energy: -123.766 flat angles C4'-P-C4' energy: -132.280 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -137.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1508.187992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.187992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.187992 (E_RNA) where: Base-Base interactions energy: -986.236 where: short stacking energy: -425.099 Base-Backbone interact. energy: 5.243 local terms energy: -527.194871 where: bonds (distance) C4'-P energy: -112.107 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -112.043 flat angles P-C4'-P energy: -80.676 tors. eta vs tors. theta energy: -99.949 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: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -858.326799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.326799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.326799 (E_RNA) where: Base-Base interactions energy: -413.747 where: short stacking energy: -255.708 Base-Backbone interact. energy: 0.241 local terms energy: -444.820628 where: bonds (distance) C4'-P energy: -111.065 bonds (distance) P-C4' energy: -130.739 flat angles C4'-P-C4' energy: -129.323 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -572.676714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.676714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.676714 (E_RNA) where: Base-Base interactions energy: -186.615 where: short stacking energy: -155.100 Base-Backbone interact. energy: -2.983 local terms energy: -383.078732 where: bonds (distance) C4'-P energy: -106.635 bonds (distance) P-C4' energy: -125.071 flat angles C4'-P-C4' energy: -111.447 flat angles P-C4'-P energy: -64.913 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: 137 Temperature: 1.350000 Total energy: -618.606741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.606741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.606741 (E_RNA) where: Base-Base interactions energy: -245.441 where: short stacking energy: -144.057 Base-Backbone interact. energy: -0.493 local terms energy: -372.673000 where: bonds (distance) C4'-P energy: -112.641 bonds (distance) P-C4' energy: -129.774 flat angles C4'-P-C4' energy: -108.483 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: 26.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2593.906060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.906060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.906060 (E_RNA) where: Base-Base interactions energy: -1772.549 where: short stacking energy: -760.016 Base-Backbone interact. energy: -1.742 local terms energy: -819.614357 where: bonds (distance) C4'-P energy: -143.860 bonds (distance) P-C4' energy: -156.592 flat angles C4'-P-C4' energy: -175.237 flat angles P-C4'-P energy: -114.223 tors. eta vs tors. theta energy: -229.701 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: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2440.134144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.134144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.134144 (E_RNA) where: Base-Base interactions energy: -1643.351 where: short stacking energy: -716.991 Base-Backbone interact. energy: -1.902 local terms energy: -794.881297 where: bonds (distance) C4'-P energy: -142.989 bonds (distance) P-C4' energy: -148.286 flat angles C4'-P-C4' energy: -165.354 flat angles P-C4'-P energy: -115.281 tors. eta vs tors. theta energy: -222.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2372.739954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.739954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.739954 (E_RNA) where: Base-Base interactions energy: -1617.375 where: short stacking energy: -706.295 Base-Backbone interact. energy: 1.653 local terms energy: -757.017864 where: bonds (distance) C4'-P energy: -143.801 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -159.125 flat angles P-C4'-P energy: -120.171 tors. eta vs tors. theta energy: -209.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2146.375506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.375506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.375506 (E_RNA) where: Base-Base interactions energy: -1431.767 where: short stacking energy: -619.132 Base-Backbone interact. energy: -1.588 local terms energy: -713.020442 where: bonds (distance) C4'-P energy: -130.171 bonds (distance) P-C4' energy: -142.034 flat angles C4'-P-C4' energy: -160.204 flat angles P-C4'-P energy: -95.233 tors. eta vs tors. theta energy: -185.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2082.221929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.221929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.221929 (E_RNA) where: Base-Base interactions energy: -1396.693 where: short stacking energy: -624.662 Base-Backbone interact. energy: 0.372 local terms energy: -685.900740 where: bonds (distance) C4'-P energy: -130.699 bonds (distance) P-C4' energy: -138.780 flat angles C4'-P-C4' energy: -158.242 flat angles P-C4'-P energy: -89.412 tors. eta vs tors. theta energy: -168.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1864.112090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.112090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.112090 (E_RNA) where: Base-Base interactions energy: -1228.011 where: short stacking energy: -529.795 Base-Backbone interact. energy: -4.410 local terms energy: -631.691338 where: bonds (distance) C4'-P energy: -128.311 bonds (distance) P-C4' energy: -127.020 flat angles C4'-P-C4' energy: -149.581 flat angles P-C4'-P energy: -81.159 tors. eta vs tors. theta energy: -145.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1586.092135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.092135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.092135 (E_RNA) where: Base-Base interactions energy: -1016.614 where: short stacking energy: -438.931 Base-Backbone interact. energy: -2.633 local terms energy: -566.844831 where: bonds (distance) C4'-P energy: -136.102 bonds (distance) P-C4' energy: -116.323 flat angles C4'-P-C4' energy: -141.296 flat angles P-C4'-P energy: -71.912 tors. eta vs tors. theta energy: -101.211 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: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -857.087627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.087627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.087627 (E_RNA) where: Base-Base interactions energy: -408.678 where: short stacking energy: -229.306 Base-Backbone interact. energy: 3.862 local terms energy: -452.272478 where: bonds (distance) C4'-P energy: -128.795 bonds (distance) P-C4' energy: -139.058 flat angles C4'-P-C4' energy: -116.642 flat angles P-C4'-P energy: -70.983 tors. eta vs tors. theta energy: 3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -697.028883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.028883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.028883 (E_RNA) where: Base-Base interactions energy: -276.781 where: short stacking energy: -176.561 Base-Backbone interact. energy: 1.787 local terms energy: -422.034989 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -69.919 tors. eta vs tors. theta energy: 1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -577.054638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.054638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.054638 (E_RNA) where: Base-Base interactions energy: -196.949 where: short stacking energy: -174.766 Base-Backbone interact. energy: -0.607 local terms energy: -379.498403 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -105.600 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: 15.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2588.962560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.962560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.962560 (E_RNA) where: Base-Base interactions energy: -1754.443 where: short stacking energy: -752.419 Base-Backbone interact. energy: 0.071 local terms energy: -834.591065 where: bonds (distance) C4'-P energy: -168.148 bonds (distance) P-C4' energy: -159.585 flat angles C4'-P-C4' energy: -170.629 flat angles P-C4'-P energy: -112.641 tors. eta vs tors. theta energy: -223.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2423.520460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.520460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.520460 (E_RNA) where: Base-Base interactions energy: -1653.411 where: short stacking energy: -726.162 Base-Backbone interact. energy: 0.477 local terms energy: -770.586699 where: bonds (distance) C4'-P energy: -141.007 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -108.009 tors. eta vs tors. theta energy: -224.588 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: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2344.744888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.744888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.744888 (E_RNA) where: Base-Base interactions energy: -1631.508 where: short stacking energy: -671.329 Base-Backbone interact. energy: 0.281 local terms energy: -713.518080 where: bonds (distance) C4'-P energy: -138.552 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -147.274 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -194.235 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: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2172.305768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.305768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.305768 (E_RNA) where: Base-Base interactions energy: -1456.966 where: short stacking energy: -625.632 Base-Backbone interact. energy: 2.271 local terms energy: -717.610892 where: bonds (distance) C4'-P energy: -145.174 bonds (distance) P-C4' energy: -137.741 flat angles C4'-P-C4' energy: -155.408 flat angles P-C4'-P energy: -94.241 tors. eta vs tors. theta energy: -185.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2073.025805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.025805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.025805 (E_RNA) where: Base-Base interactions energy: -1389.003 where: short stacking energy: -574.110 Base-Backbone interact. energy: -3.092 local terms energy: -680.930405 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -142.892 flat angles C4'-P-C4' energy: -144.183 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: -164.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1827.374587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.374587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.374587 (E_RNA) where: Base-Base interactions energy: -1182.567 where: short stacking energy: -516.362 Base-Backbone interact. energy: -1.192 local terms energy: -643.615312 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -129.418 flat angles C4'-P-C4' energy: -154.148 flat angles P-C4'-P energy: -87.330 tors. eta vs tors. theta energy: -136.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1559.649602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.649602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.649602 (E_RNA) where: Base-Base interactions energy: -991.611 where: short stacking energy: -397.576 Base-Backbone interact. energy: -4.015 local terms energy: -564.024048 where: bonds (distance) C4'-P energy: -151.899 bonds (distance) P-C4' energy: -133.832 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -80.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -922.967646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.967646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.967646 (E_RNA) where: Base-Base interactions energy: -479.360 where: short stacking energy: -266.231 Base-Backbone interact. energy: 7.077 local terms energy: -450.684395 where: bonds (distance) C4'-P energy: -113.060 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -133.868 flat angles P-C4'-P energy: -76.449 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -735.335318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.335318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.335318 (E_RNA) where: Base-Base interactions energy: -327.191 where: short stacking energy: -189.036 Base-Backbone interact. energy: 6.671 local terms energy: -414.814496 where: bonds (distance) C4'-P energy: -140.036 bonds (distance) P-C4' energy: -131.194 flat angles C4'-P-C4' energy: -105.080 flat angles P-C4'-P energy: -63.949 tors. eta vs tors. theta energy: 25.445 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: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -590.213749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.213749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.213749 (E_RNA) where: Base-Base interactions energy: -224.990 where: short stacking energy: -179.205 Base-Backbone interact. energy: 4.086 local terms energy: -369.309386 where: bonds (distance) C4'-P energy: -103.210 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -64.456 tors. eta vs tors. theta energy: 17.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2592.414050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.414050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.414050 (E_RNA) where: Base-Base interactions energy: -1763.370 where: short stacking energy: -752.384 Base-Backbone interact. energy: 1.544 local terms energy: -830.588202 where: bonds (distance) C4'-P energy: -145.471 bonds (distance) P-C4' energy: -164.955 flat angles C4'-P-C4' energy: -179.081 flat angles P-C4'-P energy: -120.569 tors. eta vs tors. theta energy: -220.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2433.011861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.011861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.011861 (E_RNA) where: Base-Base interactions energy: -1618.451 where: short stacking energy: -720.473 Base-Backbone interact. energy: -3.513 local terms energy: -811.047756 where: bonds (distance) C4'-P energy: -149.764 bonds (distance) P-C4' energy: -153.902 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -119.199 tors. eta vs tors. theta energy: -228.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2363.362997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.362997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.362997 (E_RNA) where: Base-Base interactions energy: -1594.946 where: short stacking energy: -668.065 Base-Backbone interact. energy: -2.904 local terms energy: -765.512394 where: bonds (distance) C4'-P energy: -142.213 bonds (distance) P-C4' energy: -156.597 flat angles C4'-P-C4' energy: -167.417 flat angles P-C4'-P energy: -101.814 tors. eta vs tors. theta energy: -197.471 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2125.907873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.907873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.907873 (E_RNA) where: Base-Base interactions energy: -1423.028 where: short stacking energy: -616.477 Base-Backbone interact. energy: 1.011 local terms energy: -703.891566 where: bonds (distance) C4'-P energy: -133.137 bonds (distance) P-C4' energy: -141.681 flat angles C4'-P-C4' energy: -156.490 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -175.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2116.400190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.400190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.400190 (E_RNA) where: Base-Base interactions energy: -1452.826 where: short stacking energy: -595.555 Base-Backbone interact. energy: -2.469 local terms energy: -661.105069 where: bonds (distance) C4'-P energy: -115.417 bonds (distance) P-C4' energy: -131.566 flat angles C4'-P-C4' energy: -133.206 flat angles P-C4'-P energy: -101.647 tors. eta vs tors. theta energy: -179.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1872.656348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.656348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.656348 (E_RNA) where: Base-Base interactions energy: -1266.867 where: short stacking energy: -547.396 Base-Backbone interact. energy: -2.390 local terms energy: -603.398439 where: bonds (distance) C4'-P energy: -123.107 bonds (distance) P-C4' energy: -107.176 flat angles C4'-P-C4' energy: -142.314 flat angles P-C4'-P energy: -89.235 tors. eta vs tors. theta energy: -141.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1606.433932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.433932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.433932 (E_RNA) where: Base-Base interactions energy: -1052.814 where: short stacking energy: -440.070 Base-Backbone interact. energy: 5.139 local terms energy: -558.758652 where: bonds (distance) C4'-P energy: -104.532 bonds (distance) P-C4' energy: -119.466 flat angles C4'-P-C4' energy: -133.154 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -125.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -953.898366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.898366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.898366 (E_RNA) where: Base-Base interactions energy: -493.927 where: short stacking energy: -252.827 Base-Backbone interact. energy: -1.102 local terms energy: -458.868985 where: bonds (distance) C4'-P energy: -120.409 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -123.853 flat angles P-C4'-P energy: -77.662 tors. eta vs tors. theta energy: -10.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -757.753882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.753882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.753882 (E_RNA) where: Base-Base interactions energy: -337.137 where: short stacking energy: -199.933 Base-Backbone interact. energy: 0.963 local terms energy: -421.580253 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -123.686 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -72.751 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -554.239563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.239563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.239563 (E_RNA) where: Base-Base interactions energy: -218.699 where: short stacking energy: -168.428 Base-Backbone interact. energy: 1.577 local terms energy: -337.117249 where: bonds (distance) C4'-P energy: -118.454 bonds (distance) P-C4' energy: -121.207 flat angles C4'-P-C4' energy: -86.001 flat angles P-C4'-P energy: -55.071 tors. eta vs tors. theta energy: 43.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2577.501921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.501921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.501921 (E_RNA) where: Base-Base interactions energy: -1746.409 where: short stacking energy: -742.608 Base-Backbone interact. energy: 1.448 local terms energy: -832.540371 where: bonds (distance) C4'-P energy: -155.407 bonds (distance) P-C4' energy: -153.453 flat angles C4'-P-C4' energy: -181.176 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -226.755 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: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2408.184405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.184405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.184405 (E_RNA) where: Base-Base interactions energy: -1645.960 where: short stacking energy: -686.193 Base-Backbone interact. energy: 6.112 local terms energy: -768.335602 where: bonds (distance) C4'-P energy: -143.932 bonds (distance) P-C4' energy: -136.811 flat angles C4'-P-C4' energy: -177.555 flat angles P-C4'-P energy: -109.634 tors. eta vs tors. theta energy: -200.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2360.239435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.239435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.239435 (E_RNA) where: Base-Base interactions energy: -1614.691 where: short stacking energy: -676.992 Base-Backbone interact. energy: -3.661 local terms energy: -741.887355 where: bonds (distance) C4'-P energy: -142.564 bonds (distance) P-C4' energy: -139.223 flat angles C4'-P-C4' energy: -161.298 flat angles P-C4'-P energy: -105.513 tors. eta vs tors. theta energy: -193.290 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: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2131.125760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.125760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.125760 (E_RNA) where: Base-Base interactions energy: -1422.560 where: short stacking energy: -588.674 Base-Backbone interact. energy: 0.069 local terms energy: -708.635637 where: bonds (distance) C4'-P energy: -138.064 bonds (distance) P-C4' energy: -144.428 flat angles C4'-P-C4' energy: -143.384 flat angles P-C4'-P energy: -110.151 tors. eta vs tors. theta energy: -172.608 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: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2088.111582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.111582 (E_RNA) where: Base-Base interactions energy: -1404.337 where: short stacking energy: -597.137 Base-Backbone interact. energy: -4.805 local terms energy: -678.969808 where: bonds (distance) C4'-P energy: -125.680 bonds (distance) P-C4' energy: -142.232 flat angles C4'-P-C4' energy: -165.274 flat angles P-C4'-P energy: -83.884 tors. eta vs tors. theta energy: -161.900 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: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1892.299282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.299282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.299282 (E_RNA) where: Base-Base interactions energy: -1250.643 where: short stacking energy: -562.035 Base-Backbone interact. energy: -2.872 local terms energy: -638.783770 where: bonds (distance) C4'-P energy: -120.341 bonds (distance) P-C4' energy: -128.227 flat angles C4'-P-C4' energy: -151.824 flat angles P-C4'-P energy: -86.773 tors. eta vs tors. theta energy: -151.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1586.520194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.520194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.520194 (E_RNA) where: Base-Base interactions energy: -994.243 where: short stacking energy: -443.076 Base-Backbone interact. energy: 1.339 local terms energy: -593.616486 where: bonds (distance) C4'-P energy: -113.555 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -150.665 flat angles P-C4'-P energy: -96.148 tors. eta vs tors. theta energy: -113.687 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: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -971.253596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.253596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.253596 (E_RNA) where: Base-Base interactions energy: -480.771 where: short stacking energy: -252.458 Base-Backbone interact. energy: 4.172 local terms energy: -494.653947 where: bonds (distance) C4'-P energy: -127.642 bonds (distance) P-C4' energy: -141.376 flat angles C4'-P-C4' energy: -130.973 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -13.984 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: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -777.114964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.114964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.114964 (E_RNA) where: Base-Base interactions energy: -367.376 where: short stacking energy: -232.526 Base-Backbone interact. energy: -2.206 local terms energy: -407.532897 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -120.784 flat angles C4'-P-C4' energy: -116.447 flat angles P-C4'-P energy: -60.943 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -546.514438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.514438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.514438 (E_RNA) where: Base-Base interactions energy: -188.666 where: short stacking energy: -126.183 Base-Backbone interact. energy: 1.414 local terms energy: -359.262777 where: bonds (distance) C4'-P energy: -110.831 bonds (distance) P-C4' energy: -135.624 flat angles C4'-P-C4' energy: -85.731 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: 39.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2587.329260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.329260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.329260 (E_RNA) where: Base-Base interactions energy: -1769.690 where: short stacking energy: -746.478 Base-Backbone interact. energy: -3.159 local terms energy: -814.479989 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -147.862 flat angles C4'-P-C4' energy: -175.488 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -219.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2405.638991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.638991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.638991 (E_RNA) where: Base-Base interactions energy: -1591.422 where: short stacking energy: -707.980 Base-Backbone interact. energy: -0.003 local terms energy: -814.213695 where: bonds (distance) C4'-P energy: -149.775 bonds (distance) P-C4' energy: -135.902 flat angles C4'-P-C4' energy: -182.927 flat angles P-C4'-P energy: -120.527 tors. eta vs tors. theta energy: -225.082 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: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2402.396945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.396945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.396945 (E_RNA) where: Base-Base interactions energy: -1626.016 where: short stacking energy: -683.149 Base-Backbone interact. energy: 1.769 local terms energy: -778.149123 where: bonds (distance) C4'-P energy: -139.248 bonds (distance) P-C4' energy: -153.776 flat angles C4'-P-C4' energy: -175.976 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -198.064 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: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2144.347374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.347374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.347374 (E_RNA) where: Base-Base interactions energy: -1414.765 where: short stacking energy: -590.158 Base-Backbone interact. energy: -1.861 local terms energy: -727.721087 where: bonds (distance) C4'-P energy: -154.301 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -158.967 flat angles P-C4'-P energy: -106.677 tors. eta vs tors. theta energy: -167.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2072.624282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.624282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.624282 (E_RNA) where: Base-Base interactions energy: -1364.589 where: short stacking energy: -586.350 Base-Backbone interact. energy: -3.696 local terms energy: -704.338605 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -148.487 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -159.467 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: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1882.871231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.871231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.871231 (E_RNA) where: Base-Base interactions energy: -1213.653 where: short stacking energy: -519.743 Base-Backbone interact. energy: -1.868 local terms energy: -667.350874 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -144.982 flat angles C4'-P-C4' energy: -145.567 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -138.587 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: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1572.201900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.201900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.201900 (E_RNA) where: Base-Base interactions energy: -1007.199 where: short stacking energy: -420.868 Base-Backbone interact. energy: 0.318 local terms energy: -565.320624 where: bonds (distance) C4'-P energy: -106.872 bonds (distance) P-C4' energy: -121.227 flat angles C4'-P-C4' energy: -144.110 flat angles P-C4'-P energy: -98.049 tors. eta vs tors. theta energy: -95.063 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: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -979.466970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.466970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.466970 (E_RNA) where: Base-Base interactions energy: -542.408 where: short stacking energy: -265.431 Base-Backbone interact. energy: 0.485 local terms energy: -437.543879 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -125.042 flat angles C4'-P-C4' energy: -107.068 flat angles P-C4'-P energy: -63.337 tors. eta vs tors. theta energy: -32.476 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -759.839819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.839819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.839819 (E_RNA) where: Base-Base interactions energy: -363.895 where: short stacking energy: -240.445 Base-Backbone interact. energy: 6.561 local terms energy: -402.505842 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -116.196 flat angles C4'-P-C4' energy: -106.681 flat angles P-C4'-P energy: -68.540 tors. eta vs tors. theta energy: 8.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -577.866844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.866844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.866844 (E_RNA) where: Base-Base interactions energy: -204.880 where: short stacking energy: -174.526 Base-Backbone interact. energy: 1.418 local terms energy: -374.404525 where: bonds (distance) C4'-P energy: -110.927 bonds (distance) P-C4' energy: -114.839 flat angles C4'-P-C4' energy: -114.849 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: 28.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2569.298275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.298275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.298275 (E_RNA) where: Base-Base interactions energy: -1775.777 where: short stacking energy: -757.835 Base-Backbone interact. energy: -3.384 local terms energy: -790.137689 where: bonds (distance) C4'-P energy: -151.410 bonds (distance) P-C4' energy: -142.861 flat angles C4'-P-C4' energy: -161.872 flat angles P-C4'-P energy: -111.691 tors. eta vs tors. theta energy: -222.303 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: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2432.508250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.508250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.508250 (E_RNA) where: Base-Base interactions energy: -1648.353 where: short stacking energy: -685.576 Base-Backbone interact. energy: -0.742 local terms energy: -783.413857 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -150.971 flat angles C4'-P-C4' energy: -161.585 flat angles P-C4'-P energy: -118.286 tors. eta vs tors. theta energy: -209.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2358.423199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.423199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.423199 (E_RNA) where: Base-Base interactions energy: -1623.890 where: short stacking energy: -672.420 Base-Backbone interact. energy: -0.022 local terms energy: -734.511069 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -142.617 flat angles C4'-P-C4' energy: -159.276 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -195.684 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: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2182.458167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.458167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.458167 (E_RNA) where: Base-Base interactions energy: -1474.171 where: short stacking energy: -609.091 Base-Backbone interact. energy: 4.943 local terms energy: -713.230280 where: bonds (distance) C4'-P energy: -145.766 bonds (distance) P-C4' energy: -146.257 flat angles C4'-P-C4' energy: -158.639 flat angles P-C4'-P energy: -99.953 tors. eta vs tors. theta energy: -162.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2087.439483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.439483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.439483 (E_RNA) where: Base-Base interactions energy: -1402.256 where: short stacking energy: -604.839 Base-Backbone interact. energy: -1.156 local terms energy: -684.027483 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -161.397 flat angles P-C4'-P energy: -92.460 tors. eta vs tors. theta energy: -153.611 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1902.995717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.995717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.995717 (E_RNA) where: Base-Base interactions energy: -1244.995 where: short stacking energy: -531.735 Base-Backbone interact. energy: -1.976 local terms energy: -656.024249 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -132.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1536.048995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.048995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.048995 (E_RNA) where: Base-Base interactions energy: -998.195 where: short stacking energy: -436.012 Base-Backbone interact. energy: 3.438 local terms energy: -541.292165 where: bonds (distance) C4'-P energy: -123.191 bonds (distance) P-C4' energy: -115.933 flat angles C4'-P-C4' energy: -136.448 flat angles P-C4'-P energy: -67.016 tors. eta vs tors. theta energy: -98.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -981.167674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.167674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.167674 (E_RNA) where: Base-Base interactions energy: -498.255 where: short stacking energy: -278.301 Base-Backbone interact. energy: -3.015 local terms energy: -479.896857 where: bonds (distance) C4'-P energy: -116.448 bonds (distance) P-C4' energy: -120.700 flat angles C4'-P-C4' energy: -126.648 flat angles P-C4'-P energy: -83.533 tors. eta vs tors. theta energy: -32.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -717.995979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.995979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.995979 (E_RNA) where: Base-Base interactions energy: -292.801 where: short stacking energy: -195.171 Base-Backbone interact. energy: -3.053 local terms energy: -422.141834 where: bonds (distance) C4'-P energy: -111.334 bonds (distance) P-C4' energy: -141.196 flat angles C4'-P-C4' energy: -104.532 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -555.605519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.605519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.605519 (E_RNA) where: Base-Base interactions energy: -189.341 where: short stacking energy: -144.208 Base-Backbone interact. energy: -2.573 local terms energy: -363.691584 where: bonds (distance) C4'-P energy: -124.555 bonds (distance) P-C4' energy: -121.304 flat angles C4'-P-C4' energy: -99.280 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: 27.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2612.344906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.344906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.344906 (E_RNA) where: Base-Base interactions energy: -1774.765 where: short stacking energy: -743.854 Base-Backbone interact. energy: -3.547 local terms energy: -834.032131 where: bonds (distance) C4'-P energy: -157.857 bonds (distance) P-C4' energy: -161.924 flat angles C4'-P-C4' energy: -174.324 flat angles P-C4'-P energy: -109.783 tors. eta vs tors. theta energy: -230.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2422.969361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.969361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.969361 (E_RNA) where: Base-Base interactions energy: -1624.388 where: short stacking energy: -713.215 Base-Backbone interact. energy: -4.923 local terms energy: -793.658351 where: bonds (distance) C4'-P energy: -150.327 bonds (distance) P-C4' energy: -155.189 flat angles C4'-P-C4' energy: -167.411 flat angles P-C4'-P energy: -100.276 tors. eta vs tors. theta energy: -220.454 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2399.709673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.709673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.709673 (E_RNA) where: Base-Base interactions energy: -1677.921 where: short stacking energy: -682.748 Base-Backbone interact. energy: -0.001 local terms energy: -721.787741 where: bonds (distance) C4'-P energy: -115.108 bonds (distance) P-C4' energy: -148.538 flat angles C4'-P-C4' energy: -164.654 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -199.013 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: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2118.311277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.311277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.311277 (E_RNA) where: Base-Base interactions energy: -1413.914 where: short stacking energy: -586.986 Base-Backbone interact. energy: -3.444 local terms energy: -700.953496 where: bonds (distance) C4'-P energy: -140.852 bonds (distance) P-C4' energy: -138.921 flat angles C4'-P-C4' energy: -152.085 flat angles P-C4'-P energy: -104.485 tors. eta vs tors. theta energy: -164.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2088.883812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.883812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.883812 (E_RNA) where: Base-Base interactions energy: -1393.932 where: short stacking energy: -601.995 Base-Backbone interact. energy: -2.458 local terms energy: -692.493399 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -139.007 flat angles C4'-P-C4' energy: -146.218 flat angles P-C4'-P energy: -75.357 tors. eta vs tors. theta energy: -172.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2003.788169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.788169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.788169 (E_RNA) where: Base-Base interactions energy: -1337.880 where: short stacking energy: -561.991 Base-Backbone interact. energy: -0.362 local terms energy: -665.545781 where: bonds (distance) C4'-P energy: -141.640 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -150.289 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -145.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1640.229232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.229232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.229232 (E_RNA) where: Base-Base interactions energy: -1045.870 where: short stacking energy: -462.509 Base-Backbone interact. energy: -1.868 local terms energy: -592.490498 where: bonds (distance) C4'-P energy: -134.193 bonds (distance) P-C4' energy: -133.027 flat angles C4'-P-C4' energy: -125.469 flat angles P-C4'-P energy: -76.233 tors. eta vs tors. theta energy: -123.569 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: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -938.703248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.703248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.703248 (E_RNA) where: Base-Base interactions energy: -461.448 where: short stacking energy: -250.014 Base-Backbone interact. energy: 0.623 local terms energy: -477.878110 where: bonds (distance) C4'-P energy: -127.636 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -137.182 flat angles P-C4'-P energy: -60.890 tors. eta vs tors. theta energy: -15.400 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -735.431870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.431870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.431870 (E_RNA) where: Base-Base interactions energy: -307.964 where: short stacking energy: -208.729 Base-Backbone interact. energy: 2.516 local terms energy: -429.983039 where: bonds (distance) C4'-P energy: -102.197 bonds (distance) P-C4' energy: -119.729 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -79.375 tors. eta vs tors. theta energy: 0.660 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: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -569.868037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.868037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.868037 (E_RNA) where: Base-Base interactions energy: -200.416 where: short stacking energy: -135.888 Base-Backbone interact. energy: 2.855 local terms energy: -372.306402 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -120.318 flat angles C4'-P-C4' energy: -124.789 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: 31.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2587.479164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.479164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.479164 (E_RNA) where: Base-Base interactions energy: -1801.697 where: short stacking energy: -747.489 Base-Backbone interact. energy: 0.847 local terms energy: -786.629087 where: bonds (distance) C4'-P energy: -136.356 bonds (distance) P-C4' energy: -138.331 flat angles C4'-P-C4' energy: -172.617 flat angles P-C4'-P energy: -112.182 tors. eta vs tors. theta energy: -227.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2446.617393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.617393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.617393 (E_RNA) where: Base-Base interactions energy: -1664.749 where: short stacking energy: -725.410 Base-Backbone interact. energy: -4.416 local terms energy: -777.452771 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -169.338 flat angles P-C4'-P energy: -111.420 tors. eta vs tors. theta energy: -216.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2383.825614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.825614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.825614 (E_RNA) where: Base-Base interactions energy: -1657.573 where: short stacking energy: -697.947 Base-Backbone interact. energy: -2.562 local terms energy: -723.690272 where: bonds (distance) C4'-P energy: -122.246 bonds (distance) P-C4' energy: -147.802 flat angles C4'-P-C4' energy: -156.098 flat angles P-C4'-P energy: -97.040 tors. eta vs tors. theta energy: -200.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2176.627138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.627138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.627138 (E_RNA) where: Base-Base interactions energy: -1463.283 where: short stacking energy: -586.883 Base-Backbone interact. energy: -3.689 local terms energy: -709.655475 where: bonds (distance) C4'-P energy: -151.831 bonds (distance) P-C4' energy: -143.161 flat angles C4'-P-C4' energy: -150.994 flat angles P-C4'-P energy: -96.751 tors. eta vs tors. theta energy: -166.919 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: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1972.699016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.699016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.699016 (E_RNA) where: Base-Base interactions energy: -1301.558 where: short stacking energy: -540.975 Base-Backbone interact. energy: -0.598 local terms energy: -670.542521 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -153.908 flat angles P-C4'-P energy: -100.498 tors. eta vs tors. theta energy: -149.075 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: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1910.186885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.186885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.186885 (E_RNA) where: Base-Base interactions energy: -1268.869 where: short stacking energy: -548.331 Base-Backbone interact. energy: -2.880 local terms energy: -638.437921 where: bonds (distance) C4'-P energy: -142.604 bonds (distance) P-C4' energy: -125.380 flat angles C4'-P-C4' energy: -143.684 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -138.207 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: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1606.763478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.763478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.763478 (E_RNA) where: Base-Base interactions energy: -1017.120 where: short stacking energy: -468.982 Base-Backbone interact. energy: -4.309 local terms energy: -585.334102 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -133.449 flat angles C4'-P-C4' energy: -125.903 flat angles P-C4'-P energy: -83.156 tors. eta vs tors. theta energy: -119.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -984.630021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.630021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.630021 (E_RNA) where: Base-Base interactions energy: -479.340 where: short stacking energy: -245.620 Base-Backbone interact. energy: 3.245 local terms energy: -508.535242 where: bonds (distance) C4'-P energy: -146.248 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -87.410 tors. eta vs tors. theta energy: -24.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -741.665824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.665824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.665824 (E_RNA) where: Base-Base interactions energy: -307.734 where: short stacking energy: -187.765 Base-Backbone interact. energy: -0.016 local terms energy: -433.915745 where: bonds (distance) C4'-P energy: -126.175 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -60.678 tors. eta vs tors. theta energy: 2.927 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: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -589.110111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.110111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.110111 (E_RNA) where: Base-Base interactions energy: -212.979 where: short stacking energy: -172.160 Base-Backbone interact. energy: 0.272 local terms energy: -376.403908 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -140.965 flat angles C4'-P-C4' energy: -101.743 flat angles P-C4'-P energy: -44.613 tors. eta vs tors. theta energy: 26.419 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: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2636.635740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.635740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.635740 (E_RNA) where: Base-Base interactions energy: -1850.192 where: short stacking energy: -768.088 Base-Backbone interact. energy: 1.083 local terms energy: -787.526521 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -162.072 flat angles P-C4'-P energy: -110.083 tors. eta vs tors. theta energy: -232.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2492.240781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.240781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.240781 (E_RNA) where: Base-Base interactions energy: -1684.657 where: short stacking energy: -721.058 Base-Backbone interact. energy: -5.763 local terms energy: -801.820586 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -150.238 flat angles C4'-P-C4' energy: -165.504 flat angles P-C4'-P energy: -114.295 tors. eta vs tors. theta energy: -221.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2425.129926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.129926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.129926 (E_RNA) where: Base-Base interactions energy: -1649.591 where: short stacking energy: -686.489 Base-Backbone interact. energy: -3.700 local terms energy: -771.838414 where: bonds (distance) C4'-P energy: -147.676 bonds (distance) P-C4' energy: -153.189 flat angles C4'-P-C4' energy: -164.273 flat angles P-C4'-P energy: -97.998 tors. eta vs tors. theta energy: -208.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2211.375889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.375889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.375889 (E_RNA) where: Base-Base interactions energy: -1511.016 where: short stacking energy: -648.467 Base-Backbone interact. energy: -1.039 local terms energy: -699.321399 where: bonds (distance) C4'-P energy: -143.064 bonds (distance) P-C4' energy: -130.988 flat angles C4'-P-C4' energy: -149.950 flat angles P-C4'-P energy: -89.296 tors. eta vs tors. theta energy: -186.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2003.118817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.118817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.118817 (E_RNA) where: Base-Base interactions energy: -1353.448 where: short stacking energy: -573.462 Base-Backbone interact. energy: 3.497 local terms energy: -653.167288 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -138.843 flat angles C4'-P-C4' energy: -138.766 flat angles P-C4'-P energy: -92.752 tors. eta vs tors. theta energy: -155.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1931.509736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.509736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.509736 (E_RNA) where: Base-Base interactions energy: -1288.041 where: short stacking energy: -536.415 Base-Backbone interact. energy: 3.042 local terms energy: -646.511491 where: bonds (distance) C4'-P energy: -148.761 bonds (distance) P-C4' energy: -134.184 flat angles C4'-P-C4' energy: -145.986 flat angles P-C4'-P energy: -92.013 tors. eta vs tors. theta energy: -125.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1558.371477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.371477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.371477 (E_RNA) where: Base-Base interactions energy: -997.311 where: short stacking energy: -452.514 Base-Backbone interact. energy: -2.113 local terms energy: -558.947623 where: bonds (distance) C4'-P energy: -128.978 bonds (distance) P-C4' energy: -116.921 flat angles C4'-P-C4' energy: -130.891 flat angles P-C4'-P energy: -87.792 tors. eta vs tors. theta energy: -94.366 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: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1025.149902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.149902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.149902 (E_RNA) where: Base-Base interactions energy: -543.182 where: short stacking energy: -280.019 Base-Backbone interact. energy: -2.765 local terms energy: -479.202935 where: bonds (distance) C4'-P energy: -129.784 bonds (distance) P-C4' energy: -134.876 flat angles C4'-P-C4' energy: -106.270 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -18.392 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: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -725.446160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.446160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.446160 (E_RNA) where: Base-Base interactions energy: -295.765 where: short stacking energy: -172.740 Base-Backbone interact. energy: -2.170 local terms energy: -427.511701 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -126.063 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -83.251 tors. eta vs tors. theta energy: -2.971 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: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -628.309074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.309074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.309074 (E_RNA) where: Base-Base interactions energy: -271.531 where: short stacking energy: -169.616 Base-Backbone interact. energy: 1.790 local terms energy: -358.567510 where: bonds (distance) C4'-P energy: -110.505 bonds (distance) P-C4' energy: -142.817 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: 28.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2640.229372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.229372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.229372 (E_RNA) where: Base-Base interactions energy: -1797.256 where: short stacking energy: -776.831 Base-Backbone interact. energy: 2.350 local terms energy: -845.323992 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -168.915 flat angles C4'-P-C4' energy: -175.856 flat angles P-C4'-P energy: -116.274 tors. eta vs tors. theta energy: -233.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2490.623632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.623632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.623632 (E_RNA) where: Base-Base interactions energy: -1685.482 where: short stacking energy: -717.450 Base-Backbone interact. energy: 1.054 local terms energy: -806.194940 where: bonds (distance) C4'-P energy: -154.454 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -162.715 flat angles P-C4'-P energy: -114.854 tors. eta vs tors. theta energy: -219.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2374.750699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.750699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.750699 (E_RNA) where: Base-Base interactions energy: -1650.217 where: short stacking energy: -675.543 Base-Backbone interact. energy: 3.260 local terms energy: -727.793801 where: bonds (distance) C4'-P energy: -137.931 bonds (distance) P-C4' energy: -136.346 flat angles C4'-P-C4' energy: -152.881 flat angles P-C4'-P energy: -106.884 tors. eta vs tors. theta energy: -193.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2162.905175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.905175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.905175 (E_RNA) where: Base-Base interactions energy: -1474.138 where: short stacking energy: -621.701 Base-Backbone interact. energy: -4.940 local terms energy: -683.827189 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -133.106 flat angles C4'-P-C4' energy: -146.936 flat angles P-C4'-P energy: -104.406 tors. eta vs tors. theta energy: -176.794 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: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2077.697216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.697216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.697216 (E_RNA) where: Base-Base interactions energy: -1396.807 where: short stacking energy: -611.941 Base-Backbone interact. energy: -1.390 local terms energy: -679.500429 where: bonds (distance) C4'-P energy: -130.265 bonds (distance) P-C4' energy: -133.535 flat angles C4'-P-C4' energy: -144.846 flat angles P-C4'-P energy: -87.600 tors. eta vs tors. theta energy: -183.255 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: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1880.266588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.266588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.266588 (E_RNA) where: Base-Base interactions energy: -1242.543 where: short stacking energy: -540.548 Base-Backbone interact. energy: -2.757 local terms energy: -634.966969 where: bonds (distance) C4'-P energy: -132.060 bonds (distance) P-C4' energy: -144.208 flat angles C4'-P-C4' energy: -141.723 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -127.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1538.513399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.513399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.513399 (E_RNA) where: Base-Base interactions energy: -975.732 where: short stacking energy: -423.656 Base-Backbone interact. energy: -2.185 local terms energy: -560.595962 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -138.440 flat angles P-C4'-P energy: -85.802 tors. eta vs tors. theta energy: -82.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -978.178568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.178568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.178568 (E_RNA) where: Base-Base interactions energy: -530.603 where: short stacking energy: -277.656 Base-Backbone interact. energy: 1.635 local terms energy: -449.211037 where: bonds (distance) C4'-P energy: -119.232 bonds (distance) P-C4' energy: -113.556 flat angles C4'-P-C4' energy: -106.668 flat angles P-C4'-P energy: -83.670 tors. eta vs tors. theta energy: -26.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -818.338918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.338918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.338918 (E_RNA) where: Base-Base interactions energy: -401.591 where: short stacking energy: -227.212 Base-Backbone interact. energy: -1.990 local terms energy: -414.757496 where: bonds (distance) C4'-P energy: -108.740 bonds (distance) P-C4' energy: -131.663 flat angles C4'-P-C4' energy: -105.754 flat angles P-C4'-P energy: -77.736 tors. eta vs tors. theta energy: 9.136 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: 147 Temperature: 1.350000 Total energy: -620.020165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.020165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.020165 (E_RNA) where: Base-Base interactions energy: -237.060 where: short stacking energy: -161.839 Base-Backbone interact. energy: -0.890 local terms energy: -382.070239 where: bonds (distance) C4'-P energy: -119.828 bonds (distance) P-C4' energy: -119.446 flat angles C4'-P-C4' energy: -100.208 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: 42.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2622.373380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.373380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.373380 (E_RNA) where: Base-Base interactions energy: -1784.380 where: short stacking energy: -745.529 Base-Backbone interact. energy: 0.034 local terms energy: -838.027520 where: bonds (distance) C4'-P energy: -150.678 bonds (distance) P-C4' energy: -148.144 flat angles C4'-P-C4' energy: -183.582 flat angles P-C4'-P energy: -121.407 tors. eta vs tors. theta energy: -234.215 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: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2467.460710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.460710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.460710 (E_RNA) where: Base-Base interactions energy: -1673.452 where: short stacking energy: -751.898 Base-Backbone interact. energy: -3.692 local terms energy: -790.316991 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -150.859 flat angles C4'-P-C4' energy: -155.830 flat angles P-C4'-P energy: -109.650 tors. eta vs tors. theta energy: -230.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2390.237320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.237320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.237320 (E_RNA) where: Base-Base interactions energy: -1629.863 where: short stacking energy: -701.580 Base-Backbone interact. energy: 0.358 local terms energy: -760.731618 where: bonds (distance) C4'-P energy: -137.653 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -169.308 flat angles P-C4'-P energy: -101.378 tors. eta vs tors. theta energy: -213.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2187.545796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.545796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.545796 (E_RNA) where: Base-Base interactions energy: -1508.843 where: short stacking energy: -633.597 Base-Backbone interact. energy: -1.253 local terms energy: -677.449894 where: bonds (distance) C4'-P energy: -129.935 bonds (distance) P-C4' energy: -121.008 flat angles C4'-P-C4' energy: -151.375 flat angles P-C4'-P energy: -93.209 tors. eta vs tors. theta energy: -181.922 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: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2075.607863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.607863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.607863 (E_RNA) where: Base-Base interactions energy: -1407.656 where: short stacking energy: -612.596 Base-Backbone interact. energy: 9.044 local terms energy: -676.995370 where: bonds (distance) C4'-P energy: -136.895 bonds (distance) P-C4' energy: -125.874 flat angles C4'-P-C4' energy: -148.714 flat angles P-C4'-P energy: -95.070 tors. eta vs tors. theta energy: -170.442 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: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1857.434169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.434169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.434169 (E_RNA) where: Base-Base interactions energy: -1229.542 where: short stacking energy: -551.071 Base-Backbone interact. energy: -0.541 local terms energy: -627.350500 where: bonds (distance) C4'-P energy: -121.682 bonds (distance) P-C4' energy: -140.809 flat angles C4'-P-C4' energy: -148.364 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -126.340 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: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1662.122966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.122966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.122966 (E_RNA) where: Base-Base interactions energy: -1077.441 where: short stacking energy: -483.639 Base-Backbone interact. energy: -0.316 local terms energy: -584.365963 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -144.906 flat angles P-C4'-P energy: -72.158 tors. eta vs tors. theta energy: -113.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -990.159413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.159413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.159413 (E_RNA) where: Base-Base interactions energy: -504.986 where: short stacking energy: -271.181 Base-Backbone interact. energy: 7.589 local terms energy: -492.762743 where: bonds (distance) C4'-P energy: -123.989 bonds (distance) P-C4' energy: -132.105 flat angles C4'-P-C4' energy: -129.736 flat angles P-C4'-P energy: -74.191 tors. eta vs tors. theta energy: -32.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -736.114322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.114322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.114322 (E_RNA) where: Base-Base interactions energy: -326.082 where: short stacking energy: -178.520 Base-Backbone interact. energy: 0.758 local terms energy: -410.790308 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -143.356 flat angles C4'-P-C4' energy: -101.677 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: 13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -656.006003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.006003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.006003 (E_RNA) where: Base-Base interactions energy: -294.162 where: short stacking energy: -172.018 Base-Backbone interact. energy: 9.126 local terms energy: -370.970557 where: bonds (distance) C4'-P energy: -102.265 bonds (distance) P-C4' energy: -125.184 flat angles C4'-P-C4' energy: -105.938 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: 26.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2598.186933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.186933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.186933 (E_RNA) where: Base-Base interactions energy: -1802.182 where: short stacking energy: -758.770 Base-Backbone interact. energy: -3.006 local terms energy: -792.998706 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -158.055 flat angles C4'-P-C4' energy: -161.859 flat angles P-C4'-P energy: -98.123 tors. eta vs tors. theta energy: -227.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2411.472527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.472527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.472527 (E_RNA) where: Base-Base interactions energy: -1633.484 where: short stacking energy: -701.934 Base-Backbone interact. energy: -2.280 local terms energy: -775.707917 where: bonds (distance) C4'-P energy: -140.446 bonds (distance) P-C4' energy: -128.212 flat angles C4'-P-C4' energy: -181.368 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -218.210 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: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2420.037979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.037979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.037979 (E_RNA) where: Base-Base interactions energy: -1675.338 where: short stacking energy: -685.173 Base-Backbone interact. energy: -2.447 local terms energy: -742.252436 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -143.150 flat angles C4'-P-C4' energy: -150.366 flat angles P-C4'-P energy: -101.269 tors. eta vs tors. theta energy: -200.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2210.135612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.135612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.135612 (E_RNA) where: Base-Base interactions energy: -1511.933 where: short stacking energy: -631.906 Base-Backbone interact. energy: 2.313 local terms energy: -700.515567 where: bonds (distance) C4'-P energy: -139.468 bonds (distance) P-C4' energy: -142.039 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -98.152 tors. eta vs tors. theta energy: -169.804 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: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2080.424564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.424564 (E_RNA) where: Base-Base interactions energy: -1401.787 where: short stacking energy: -589.467 Base-Backbone interact. energy: 1.455 local terms energy: -680.092780 where: bonds (distance) C4'-P energy: -128.424 bonds (distance) P-C4' energy: -141.035 flat angles C4'-P-C4' energy: -142.222 flat angles P-C4'-P energy: -100.600 tors. eta vs tors. theta energy: -167.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1835.928598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.928598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.928598 (E_RNA) where: Base-Base interactions energy: -1198.395 where: short stacking energy: -518.516 Base-Backbone interact. energy: -4.611 local terms energy: -632.923242 where: bonds (distance) C4'-P energy: -122.053 bonds (distance) P-C4' energy: -138.603 flat angles C4'-P-C4' energy: -143.828 flat angles P-C4'-P energy: -103.790 tors. eta vs tors. theta energy: -124.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1587.428559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.428559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.428559 (E_RNA) where: Base-Base interactions energy: -1019.273 where: short stacking energy: -415.024 Base-Backbone interact. energy: -1.114 local terms energy: -567.041841 where: bonds (distance) C4'-P energy: -111.022 bonds (distance) P-C4' energy: -129.053 flat angles C4'-P-C4' energy: -143.777 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -93.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -937.098485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.098485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.098485 (E_RNA) where: Base-Base interactions energy: -475.536 where: short stacking energy: -266.086 Base-Backbone interact. energy: -0.581 local terms energy: -460.981262 where: bonds (distance) C4'-P energy: -139.640 bonds (distance) P-C4' energy: -123.509 flat angles C4'-P-C4' energy: -119.110 flat angles P-C4'-P energy: -60.077 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -788.495339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.495339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.495339 (E_RNA) where: Base-Base interactions energy: -391.548 where: short stacking energy: -245.342 Base-Backbone interact. energy: 10.509 local terms energy: -407.455933 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -101.118 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: 7.731 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: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -620.167501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.167501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.167501 (E_RNA) where: Base-Base interactions energy: -252.324 where: short stacking energy: -171.457 Base-Backbone interact. energy: 1.211 local terms energy: -369.054488 where: bonds (distance) C4'-P energy: -103.626 bonds (distance) P-C4' energy: -115.708 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -80.251 tors. eta vs tors. theta energy: 26.783 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: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2591.886091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.886091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.886091 (E_RNA) where: Base-Base interactions energy: -1780.697 where: short stacking energy: -737.861 Base-Backbone interact. energy: -3.369 local terms energy: -807.819562 where: bonds (distance) C4'-P energy: -164.149 bonds (distance) P-C4' energy: -145.179 flat angles C4'-P-C4' energy: -178.091 flat angles P-C4'-P energy: -103.064 tors. eta vs tors. theta energy: -217.336 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: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2464.847825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.847825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.847825 (E_RNA) where: Base-Base interactions energy: -1677.941 where: short stacking energy: -730.359 Base-Backbone interact. energy: -2.896 local terms energy: -784.010364 where: bonds (distance) C4'-P energy: -146.124 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -170.772 flat angles P-C4'-P energy: -107.954 tors. eta vs tors. theta energy: -221.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2411.364562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.364562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.364562 (E_RNA) where: Base-Base interactions energy: -1638.334 where: short stacking energy: -675.785 Base-Backbone interact. energy: -5.374 local terms energy: -767.656304 where: bonds (distance) C4'-P energy: -138.036 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -167.460 flat angles P-C4'-P energy: -112.256 tors. eta vs tors. theta energy: -206.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2220.489624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.489624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.489624 (E_RNA) where: Base-Base interactions energy: -1514.244 where: short stacking energy: -643.681 Base-Backbone interact. energy: 0.344 local terms energy: -706.589084 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -132.206 flat angles C4'-P-C4' energy: -159.921 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -164.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2052.260610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.260610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.260610 (E_RNA) where: Base-Base interactions energy: -1363.189 where: short stacking energy: -590.087 Base-Backbone interact. energy: -1.839 local terms energy: -687.233203 where: bonds (distance) C4'-P energy: -126.365 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -143.041 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -164.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1802.878860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.878860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.878860 (E_RNA) where: Base-Base interactions energy: -1176.626 where: short stacking energy: -459.585 Base-Backbone interact. energy: -2.396 local terms energy: -623.857055 where: bonds (distance) C4'-P energy: -131.452 bonds (distance) P-C4' energy: -137.944 flat angles C4'-P-C4' energy: -143.213 flat angles P-C4'-P energy: -96.041 tors. eta vs tors. theta energy: -115.207 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: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1609.342538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.342538 (E_RNA) where: Base-Base interactions energy: -1014.209 where: short stacking energy: -433.095 Base-Backbone interact. energy: -0.202 local terms energy: -594.931147 where: bonds (distance) C4'-P energy: -125.593 bonds (distance) P-C4' energy: -135.636 flat angles C4'-P-C4' energy: -135.178 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -121.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -929.842963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.842963 (E_RNA) where: Base-Base interactions energy: -464.742 where: short stacking energy: -265.469 Base-Backbone interact. energy: -1.396 local terms energy: -463.705010 where: bonds (distance) C4'-P energy: -138.736 bonds (distance) P-C4' energy: -125.680 flat angles C4'-P-C4' energy: -121.351 flat angles P-C4'-P energy: -52.354 tors. eta vs tors. theta energy: -25.584 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: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -710.093562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.093562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.093562 (E_RNA) where: Base-Base interactions energy: -312.391 where: short stacking energy: -202.023 Base-Backbone interact. energy: 3.012 local terms energy: -400.713740 where: bonds (distance) C4'-P energy: -124.901 bonds (distance) P-C4' energy: -121.616 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: 27.310 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: 150 Temperature: 1.350000 Total energy: -745.152337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.152337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.152337 (E_RNA) where: Base-Base interactions energy: -386.241 where: short stacking energy: -225.110 Base-Backbone interact. energy: -0.651 local terms energy: -358.260635 where: bonds (distance) C4'-P energy: -107.682 bonds (distance) P-C4' energy: -129.334 flat angles C4'-P-C4' energy: -100.172 flat angles P-C4'-P energy: -33.082 tors. eta vs tors. theta energy: 12.010 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: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2573.434371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.434371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.434371 (E_RNA) where: Base-Base interactions energy: -1800.173 where: short stacking energy: -740.876 Base-Backbone interact. energy: -1.192 local terms energy: -772.069545 where: bonds (distance) C4'-P energy: -137.202 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -109.501 tors. eta vs tors. theta energy: -219.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2484.634562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.634562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.634562 (E_RNA) where: Base-Base interactions energy: -1667.456 where: short stacking energy: -705.084 Base-Backbone interact. energy: -3.271 local terms energy: -813.907354 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -168.933 flat angles C4'-P-C4' energy: -163.661 flat angles P-C4'-P energy: -117.837 tors. eta vs tors. theta energy: -222.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2385.063839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.063839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.063839 (E_RNA) where: Base-Base interactions energy: -1644.531 where: short stacking energy: -673.179 Base-Backbone interact. energy: -0.714 local terms energy: -739.818740 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -138.685 flat angles C4'-P-C4' energy: -166.984 flat angles P-C4'-P energy: -99.261 tors. eta vs tors. theta energy: -193.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2171.591226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.591226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.591226 (E_RNA) where: Base-Base interactions energy: -1481.114 where: short stacking energy: -630.142 Base-Backbone interact. energy: -1.381 local terms energy: -689.096875 where: bonds (distance) C4'-P energy: -145.142 bonds (distance) P-C4' energy: -127.404 flat angles C4'-P-C4' energy: -143.670 flat angles P-C4'-P energy: -105.607 tors. eta vs tors. theta energy: -167.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2034.546043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.546043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.546043 (E_RNA) where: Base-Base interactions energy: -1386.472 where: short stacking energy: -557.886 Base-Backbone interact. energy: 0.487 local terms energy: -648.560414 where: bonds (distance) C4'-P energy: -136.640 bonds (distance) P-C4' energy: -133.218 flat angles C4'-P-C4' energy: -158.010 flat angles P-C4'-P energy: -89.479 tors. eta vs tors. theta energy: -131.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1962.654461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.654461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.654461 (E_RNA) where: Base-Base interactions energy: -1319.705 where: short stacking energy: -555.873 Base-Backbone interact. energy: 3.333 local terms energy: -646.282451 where: bonds (distance) C4'-P energy: -126.907 bonds (distance) P-C4' energy: -141.857 flat angles C4'-P-C4' energy: -145.739 flat angles P-C4'-P energy: -83.280 tors. eta vs tors. theta energy: -148.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1567.731162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.731162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.731162 (E_RNA) where: Base-Base interactions energy: -1010.582 where: short stacking energy: -477.869 Base-Backbone interact. energy: -1.308 local terms energy: -555.841306 where: bonds (distance) C4'-P energy: -143.155 bonds (distance) P-C4' energy: -116.724 flat angles C4'-P-C4' energy: -126.204 flat angles P-C4'-P energy: -68.546 tors. eta vs tors. theta energy: -101.213 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: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -942.980653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.980653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.980653 (E_RNA) where: Base-Base interactions energy: -454.087 where: short stacking energy: -274.537 Base-Backbone interact. energy: 6.655 local terms energy: -495.548285 where: bonds (distance) C4'-P energy: -137.160 bonds (distance) P-C4' energy: -126.750 flat angles C4'-P-C4' energy: -134.405 flat angles P-C4'-P energy: -84.894 tors. eta vs tors. theta energy: -12.339 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: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -704.302340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.302340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.302340 (E_RNA) where: Base-Base interactions energy: -281.399 where: short stacking energy: -181.064 Base-Backbone interact. energy: 2.453 local terms energy: -425.356444 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -147.045 flat angles C4'-P-C4' energy: -108.883 flat angles P-C4'-P energy: -60.906 tors. eta vs tors. theta energy: 14.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -791.109617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.109617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.109617 (E_RNA) where: Base-Base interactions energy: -427.538 where: short stacking energy: -233.858 Base-Backbone interact. energy: -0.839 local terms energy: -362.732999 where: bonds (distance) C4'-P energy: -120.042 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -103.680 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: 20.891 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: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2608.585525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.585525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.585525 (E_RNA) where: Base-Base interactions energy: -1799.701 where: short stacking energy: -743.631 Base-Backbone interact. energy: -0.626 local terms energy: -808.258519 where: bonds (distance) C4'-P energy: -139.072 bonds (distance) P-C4' energy: -142.315 flat angles C4'-P-C4' energy: -173.729 flat angles P-C4'-P energy: -121.016 tors. eta vs tors. theta energy: -232.127 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: 2 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2477.855952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.855952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.855952 (E_RNA) where: Base-Base interactions energy: -1691.362 where: short stacking energy: -734.580 Base-Backbone interact. energy: -1.327 local terms energy: -785.167062 where: bonds (distance) C4'-P energy: -135.368 bonds (distance) P-C4' energy: -139.402 flat angles C4'-P-C4' energy: -167.460 flat angles P-C4'-P energy: -116.274 tors. eta vs tors. theta energy: -226.663 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: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2386.033985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.033985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.033985 (E_RNA) where: Base-Base interactions energy: -1644.336 where: short stacking energy: -681.042 Base-Backbone interact. energy: -3.164 local terms energy: -738.534836 where: bonds (distance) C4'-P energy: -130.365 bonds (distance) P-C4' energy: -152.005 flat angles C4'-P-C4' energy: -157.346 flat angles P-C4'-P energy: -108.620 tors. eta vs tors. theta energy: -190.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2196.645972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.645972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.645972 (E_RNA) where: Base-Base interactions energy: -1496.154 where: short stacking energy: -630.802 Base-Backbone interact. energy: 1.400 local terms energy: -701.892240 where: bonds (distance) C4'-P energy: -119.937 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -163.510 flat angles P-C4'-P energy: -106.188 tors. eta vs tors. theta energy: -165.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2054.654791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.654791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.654791 (E_RNA) where: Base-Base interactions energy: -1371.804 where: short stacking energy: -593.262 Base-Backbone interact. energy: 3.424 local terms energy: -686.274740 where: bonds (distance) C4'-P energy: -135.300 bonds (distance) P-C4' energy: -142.149 flat angles C4'-P-C4' energy: -145.506 flat angles P-C4'-P energy: -100.982 tors. eta vs tors. theta energy: -162.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1899.704977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.704977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.704977 (E_RNA) where: Base-Base interactions energy: -1238.012 where: short stacking energy: -548.425 Base-Backbone interact. energy: -1.478 local terms energy: -660.214388 where: bonds (distance) C4'-P energy: -146.724 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -142.803 flat angles P-C4'-P energy: -86.924 tors. eta vs tors. theta energy: -141.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1626.609960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.609960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.609960 (E_RNA) where: Base-Base interactions energy: -1065.311 where: short stacking energy: -429.552 Base-Backbone interact. energy: -1.247 local terms energy: -560.052197 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -112.728 flat angles C4'-P-C4' energy: -126.112 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -105.493 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: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -958.812952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.812952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.812952 (E_RNA) where: Base-Base interactions energy: -509.712 where: short stacking energy: -275.064 Base-Backbone interact. energy: -3.232 local terms energy: -445.868965 where: bonds (distance) C4'-P energy: -110.869 bonds (distance) P-C4' energy: -137.311 flat angles C4'-P-C4' energy: -123.883 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -23.228 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: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -837.430721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.430721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.430721 (E_RNA) where: Base-Base interactions energy: -371.632 where: short stacking energy: -218.662 Base-Backbone interact. energy: -1.364 local terms energy: -464.434167 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -130.358 flat angles P-C4'-P energy: -66.993 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -668.936806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.936806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.936806 (E_RNA) where: Base-Base interactions energy: -304.737 where: short stacking energy: -198.658 Base-Backbone interact. energy: -2.993 local terms energy: -361.207453 where: bonds (distance) C4'-P energy: -123.255 bonds (distance) P-C4' energy: -118.618 flat angles C4'-P-C4' energy: -88.122 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: 12.400 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: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2609.000294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.000294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.000294 (E_RNA) where: Base-Base interactions energy: -1782.383 where: short stacking energy: -721.488 Base-Backbone interact. energy: -3.150 local terms energy: -823.467268 where: bonds (distance) C4'-P energy: -156.406 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -166.953 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -216.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2483.760860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.760860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.760860 (E_RNA) where: Base-Base interactions energy: -1690.792 where: short stacking energy: -717.336 Base-Backbone interact. energy: 2.038 local terms energy: -795.007461 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -161.385 flat angles C4'-P-C4' energy: -157.669 flat angles P-C4'-P energy: -103.422 tors. eta vs tors. theta energy: -230.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2432.778129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.778129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.778129 (E_RNA) where: Base-Base interactions energy: -1673.798 where: short stacking energy: -691.073 Base-Backbone interact. energy: -3.940 local terms energy: -755.040233 where: bonds (distance) C4'-P energy: -136.689 bonds (distance) P-C4' energy: -139.974 flat angles C4'-P-C4' energy: -166.285 flat angles P-C4'-P energy: -102.646 tors. eta vs tors. theta energy: -209.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2191.287893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.287893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.287893 (E_RNA) where: Base-Base interactions energy: -1483.310 where: short stacking energy: -628.811 Base-Backbone interact. energy: -2.812 local terms energy: -705.166034 where: bonds (distance) C4'-P energy: -118.174 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -155.829 flat angles P-C4'-P energy: -109.244 tors. eta vs tors. theta energy: -181.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2046.138707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.138707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.138707 (E_RNA) where: Base-Base interactions energy: -1352.247 where: short stacking energy: -574.661 Base-Backbone interact. energy: -1.101 local terms energy: -692.790942 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -147.150 flat angles C4'-P-C4' energy: -146.240 flat angles P-C4'-P energy: -110.849 tors. eta vs tors. theta energy: -158.414 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: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1871.142146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.142146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.142146 (E_RNA) where: Base-Base interactions energy: -1251.332 where: short stacking energy: -534.905 Base-Backbone interact. energy: 4.277 local terms energy: -624.087471 where: bonds (distance) C4'-P energy: -137.546 bonds (distance) P-C4' energy: -130.648 flat angles C4'-P-C4' energy: -125.435 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -129.282 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: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1623.704654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.704654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.704654 (E_RNA) where: Base-Base interactions energy: -1069.299 where: short stacking energy: -486.560 Base-Backbone interact. energy: 4.301 local terms energy: -558.706960 where: bonds (distance) C4'-P energy: -129.933 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -131.157 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: -93.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -967.273460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.273460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.273460 (E_RNA) where: Base-Base interactions energy: -486.053 where: short stacking energy: -271.890 Base-Backbone interact. energy: -1.061 local terms energy: -480.159158 where: bonds (distance) C4'-P energy: -121.635 bonds (distance) P-C4' energy: -139.986 flat angles C4'-P-C4' energy: -108.904 flat angles P-C4'-P energy: -84.812 tors. eta vs tors. theta energy: -24.822 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: 153 Temperature: 1.300000 Total energy: -816.286968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.286968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.286968 (E_RNA) where: Base-Base interactions energy: -405.402 where: short stacking energy: -205.278 Base-Backbone interact. energy: 4.523 local terms energy: -415.407598 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -149.000 flat angles C4'-P-C4' energy: -85.940 flat angles P-C4'-P energy: -71.701 tors. eta vs tors. theta energy: 13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -618.976408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.976408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.976408 (E_RNA) where: Base-Base interactions energy: -232.269 where: short stacking energy: -174.822 Base-Backbone interact. energy: -1.090 local terms energy: -385.617261 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -138.115 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: 33.912 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2589.632757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.632757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.632757 (E_RNA) where: Base-Base interactions energy: -1786.861 where: short stacking energy: -745.331 Base-Backbone interact. energy: -0.886 local terms energy: -801.885769 where: bonds (distance) C4'-P energy: -144.023 bonds (distance) P-C4' energy: -155.051 flat angles C4'-P-C4' energy: -165.378 flat angles P-C4'-P energy: -110.339 tors. eta vs tors. theta energy: -227.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2452.081429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.081429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.081429 (E_RNA) where: Base-Base interactions energy: -1693.478 where: short stacking energy: -710.664 Base-Backbone interact. energy: -3.237 local terms energy: -755.366043 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -121.625 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -115.296 tors. eta vs tors. theta energy: -218.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2412.922480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.922480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.922480 (E_RNA) where: Base-Base interactions energy: -1663.138 where: short stacking energy: -686.458 Base-Backbone interact. energy: -5.103 local terms energy: -744.682067 where: bonds (distance) C4'-P energy: -135.548 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -165.443 flat angles P-C4'-P energy: -102.266 tors. eta vs tors. theta energy: -209.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2177.450602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.450602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.450602 (E_RNA) where: Base-Base interactions energy: -1483.813 where: short stacking energy: -631.833 Base-Backbone interact. energy: -0.245 local terms energy: -693.391778 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -142.258 flat angles C4'-P-C4' energy: -156.205 flat angles P-C4'-P energy: -88.704 tors. eta vs tors. theta energy: -175.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2038.250807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.250807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.250807 (E_RNA) where: Base-Base interactions energy: -1368.549 where: short stacking energy: -564.868 Base-Backbone interact. energy: 0.016 local terms energy: -669.717385 where: bonds (distance) C4'-P energy: -120.218 bonds (distance) P-C4' energy: -137.540 flat angles C4'-P-C4' energy: -148.359 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -165.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1834.008337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.008337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.008337 (E_RNA) where: Base-Base interactions energy: -1231.788 where: short stacking energy: -506.712 Base-Backbone interact. energy: -4.019 local terms energy: -598.201399 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -128.411 flat angles C4'-P-C4' energy: -137.596 flat angles P-C4'-P energy: -91.649 tors. eta vs tors. theta energy: -118.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1566.427302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.427302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.427302 (E_RNA) where: Base-Base interactions energy: -1007.059 where: short stacking energy: -447.161 Base-Backbone interact. energy: -1.044 local terms energy: -558.324222 where: bonds (distance) C4'-P energy: -108.840 bonds (distance) P-C4' energy: -135.959 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -85.064 tors. eta vs tors. theta energy: -96.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -972.553984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.553984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.553984 (E_RNA) where: Base-Base interactions energy: -510.783 where: short stacking energy: -281.085 Base-Backbone interact. energy: 3.229 local terms energy: -464.999530 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -120.099 flat angles C4'-P-C4' energy: -117.066 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -25.013 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: 154 Temperature: 1.300000 Total energy: -821.602417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.602417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.602417 (E_RNA) where: Base-Base interactions energy: -390.560 where: short stacking energy: -228.953 Base-Backbone interact. energy: -1.684 local terms energy: -429.357804 where: bonds (distance) C4'-P energy: -134.929 bonds (distance) P-C4' energy: -96.261 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: 4.424 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: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -634.954154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.954154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.954154 (E_RNA) where: Base-Base interactions energy: -223.752 where: short stacking energy: -152.711 Base-Backbone interact. energy: 6.650 local terms energy: -417.852162 where: bonds (distance) C4'-P energy: -132.161 bonds (distance) P-C4' energy: -132.475 flat angles C4'-P-C4' energy: -100.524 flat angles P-C4'-P energy: -76.132 tors. eta vs tors. theta energy: 23.441 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: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2598.198698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.198698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.198698 (E_RNA) where: Base-Base interactions energy: -1789.927 where: short stacking energy: -740.235 Base-Backbone interact. energy: -2.597 local terms energy: -805.675074 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -153.292 flat angles C4'-P-C4' energy: -168.687 flat angles P-C4'-P energy: -112.285 tors. eta vs tors. theta energy: -223.561 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: 2 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2447.200208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.200208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.200208 (E_RNA) where: Base-Base interactions energy: -1662.939 where: short stacking energy: -704.002 Base-Backbone interact. energy: -2.819 local terms energy: -781.442115 where: bonds (distance) C4'-P energy: -135.391 bonds (distance) P-C4' energy: -149.411 flat angles C4'-P-C4' energy: -161.855 flat angles P-C4'-P energy: -110.357 tors. eta vs tors. theta energy: -224.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2383.190316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.190316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.190316 (E_RNA) where: Base-Base interactions energy: -1611.302 where: short stacking energy: -663.870 Base-Backbone interact. energy: -4.107 local terms energy: -767.781491 where: bonds (distance) C4'-P energy: -158.365 bonds (distance) P-C4' energy: -144.317 flat angles C4'-P-C4' energy: -162.482 flat angles P-C4'-P energy: -97.738 tors. eta vs tors. theta energy: -204.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2210.906152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.906152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.906152 (E_RNA) where: Base-Base interactions energy: -1484.759 where: short stacking energy: -637.715 Base-Backbone interact. energy: -1.910 local terms energy: -724.237857 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -136.919 flat angles C4'-P-C4' energy: -153.913 flat angles P-C4'-P energy: -102.613 tors. eta vs tors. theta energy: -183.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2021.236518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.236518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.236518 (E_RNA) where: Base-Base interactions energy: -1390.942 where: short stacking energy: -569.736 Base-Backbone interact. energy: -1.762 local terms energy: -628.532595 where: bonds (distance) C4'-P energy: -106.253 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -148.391 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -168.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1855.303931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.303931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.303931 (E_RNA) where: Base-Base interactions energy: -1215.410 where: short stacking energy: -508.923 Base-Backbone interact. energy: -1.626 local terms energy: -638.268487 where: bonds (distance) C4'-P energy: -132.575 bonds (distance) P-C4' energy: -140.762 flat angles C4'-P-C4' energy: -144.705 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -140.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1511.465024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.465024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.465024 (E_RNA) where: Base-Base interactions energy: -953.679 where: short stacking energy: -446.109 Base-Backbone interact. energy: -2.936 local terms energy: -554.849423 where: bonds (distance) C4'-P energy: -130.564 bonds (distance) P-C4' energy: -129.725 flat angles C4'-P-C4' energy: -132.618 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -83.710 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: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -987.972102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.972102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.972102 (E_RNA) where: Base-Base interactions energy: -497.526 where: short stacking energy: -269.004 Base-Backbone interact. energy: -1.344 local terms energy: -489.101781 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -136.004 flat angles C4'-P-C4' energy: -122.289 flat angles P-C4'-P energy: -91.391 tors. eta vs tors. theta energy: -20.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -740.665160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.665160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.665160 (E_RNA) where: Base-Base interactions energy: -325.049 where: short stacking energy: -195.586 Base-Backbone interact. energy: -1.118 local terms energy: -414.497789 where: bonds (distance) C4'-P energy: -127.652 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -103.420 flat angles P-C4'-P energy: -68.377 tors. eta vs tors. theta energy: 24.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -656.919972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.919972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.919972 (E_RNA) where: Base-Base interactions energy: -252.299 where: short stacking energy: -166.210 Base-Backbone interact. energy: 4.165 local terms energy: -408.785659 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -121.642 flat angles C4'-P-C4' energy: -125.379 flat angles P-C4'-P energy: -58.829 tors. eta vs tors. theta energy: 14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2656.090947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.090947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.090947 (E_RNA) where: Base-Base interactions energy: -1807.226 where: short stacking energy: -751.592 Base-Backbone interact. energy: -3.849 local terms energy: -845.016119 where: bonds (distance) C4'-P energy: -156.249 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -175.928 flat angles P-C4'-P energy: -118.876 tors. eta vs tors. theta energy: -240.634 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: 2 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2465.229587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.229587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.229587 (E_RNA) where: Base-Base interactions energy: -1681.944 where: short stacking energy: -727.997 Base-Backbone interact. energy: -4.980 local terms energy: -778.304934 where: bonds (distance) C4'-P energy: -140.205 bonds (distance) P-C4' energy: -138.264 flat angles C4'-P-C4' energy: -175.743 flat angles P-C4'-P energy: -108.947 tors. eta vs tors. theta energy: -215.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2402.202153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.202153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.202153 (E_RNA) where: Base-Base interactions energy: -1660.493 where: short stacking energy: -686.567 Base-Backbone interact. energy: -3.068 local terms energy: -738.641133 where: bonds (distance) C4'-P energy: -150.312 bonds (distance) P-C4' energy: -140.722 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -201.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2193.573313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.573313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.573313 (E_RNA) where: Base-Base interactions energy: -1488.019 where: short stacking energy: -641.447 Base-Backbone interact. energy: 2.138 local terms energy: -707.692576 where: bonds (distance) C4'-P energy: -133.896 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -147.658 flat angles P-C4'-P energy: -87.859 tors. eta vs tors. theta energy: -183.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2005.638611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.638611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.638611 (E_RNA) where: Base-Base interactions energy: -1321.053 where: short stacking energy: -551.761 Base-Backbone interact. energy: 0.267 local terms energy: -684.852257 where: bonds (distance) C4'-P energy: -113.659 bonds (distance) P-C4' energy: -155.415 flat angles C4'-P-C4' energy: -146.447 flat angles P-C4'-P energy: -111.507 tors. eta vs tors. theta energy: -157.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1853.155312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.155312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.155312 (E_RNA) where: Base-Base interactions energy: -1206.032 where: short stacking energy: -531.571 Base-Backbone interact. energy: -2.371 local terms energy: -644.752272 where: bonds (distance) C4'-P energy: -128.611 bonds (distance) P-C4' energy: -145.520 flat angles C4'-P-C4' energy: -150.140 flat angles P-C4'-P energy: -82.944 tors. eta vs tors. theta energy: -137.537 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: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1503.503336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.503336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.503336 (E_RNA) where: Base-Base interactions energy: -915.503 where: short stacking energy: -406.014 Base-Backbone interact. energy: -1.618 local terms energy: -586.382361 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -131.714 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -87.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1000.317332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.317332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.317332 (E_RNA) where: Base-Base interactions energy: -561.017 where: short stacking energy: -290.465 Base-Backbone interact. energy: 0.573 local terms energy: -439.873273 where: bonds (distance) C4'-P energy: -100.797 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -133.755 flat angles P-C4'-P energy: -60.112 tors. eta vs tors. theta energy: -21.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -688.909808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.909808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.909808 (E_RNA) where: Base-Base interactions energy: -311.296 where: short stacking energy: -178.081 Base-Backbone interact. energy: 0.248 local terms energy: -377.861589 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -135.990 flat angles C4'-P-C4' energy: -108.734 flat angles P-C4'-P energy: -61.316 tors. eta vs tors. theta energy: 28.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -668.487265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.487265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.487265 (E_RNA) where: Base-Base interactions energy: -278.233 where: short stacking energy: -175.303 Base-Backbone interact. energy: 3.022 local terms energy: -393.275976 where: bonds (distance) C4'-P energy: -149.807 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -87.453 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: 30.926 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: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2615.893412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.893412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.893412 (E_RNA) where: Base-Base interactions energy: -1794.716 where: short stacking energy: -778.551 Base-Backbone interact. energy: -1.958 local terms energy: -819.220045 where: bonds (distance) C4'-P energy: -141.507 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -172.329 flat angles P-C4'-P energy: -116.470 tors. eta vs tors. theta energy: -235.287 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: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2461.691585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.691585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.691585 (E_RNA) where: Base-Base interactions energy: -1680.501 where: short stacking energy: -686.902 Base-Backbone interact. energy: -3.526 local terms energy: -777.664624 where: bonds (distance) C4'-P energy: -160.877 bonds (distance) P-C4' energy: -143.518 flat angles C4'-P-C4' energy: -169.244 flat angles P-C4'-P energy: -104.322 tors. eta vs tors. theta energy: -199.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2396.637601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.637601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.637601 (E_RNA) where: Base-Base interactions energy: -1650.500 where: short stacking energy: -713.160 Base-Backbone interact. energy: -1.851 local terms energy: -744.286371 where: bonds (distance) C4'-P energy: -135.798 bonds (distance) P-C4' energy: -132.802 flat angles C4'-P-C4' energy: -155.533 flat angles P-C4'-P energy: -98.032 tors. eta vs tors. theta energy: -222.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2153.042478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.042478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.042478 (E_RNA) where: Base-Base interactions energy: -1459.328 where: short stacking energy: -648.540 Base-Backbone interact. energy: -2.470 local terms energy: -691.244737 where: bonds (distance) C4'-P energy: -128.432 bonds (distance) P-C4' energy: -143.285 flat angles C4'-P-C4' energy: -148.469 flat angles P-C4'-P energy: -92.040 tors. eta vs tors. theta energy: -179.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2029.177757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.177757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.177757 (E_RNA) where: Base-Base interactions energy: -1348.113 where: short stacking energy: -574.261 Base-Backbone interact. energy: 3.357 local terms energy: -684.421690 where: bonds (distance) C4'-P energy: -147.997 bonds (distance) P-C4' energy: -135.512 flat angles C4'-P-C4' energy: -150.367 flat angles P-C4'-P energy: -103.659 tors. eta vs tors. theta energy: -146.887 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: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1837.570019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.570019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.570019 (E_RNA) where: Base-Base interactions energy: -1236.373 where: short stacking energy: -496.118 Base-Backbone interact. energy: -0.621 local terms energy: -600.576071 where: bonds (distance) C4'-P energy: -126.525 bonds (distance) P-C4' energy: -126.206 flat angles C4'-P-C4' energy: -148.354 flat angles P-C4'-P energy: -81.802 tors. eta vs tors. theta energy: -117.690 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: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1512.548261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.548261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.548261 (E_RNA) where: Base-Base interactions energy: -942.939 where: short stacking energy: -434.757 Base-Backbone interact. energy: -3.325 local terms energy: -566.285131 where: bonds (distance) C4'-P energy: -119.842 bonds (distance) P-C4' energy: -129.947 flat angles C4'-P-C4' energy: -138.793 flat angles P-C4'-P energy: -85.749 tors. eta vs tors. theta energy: -91.955 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: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1030.620492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.620492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.620492 (E_RNA) where: Base-Base interactions energy: -552.628 where: short stacking energy: -273.281 Base-Backbone interact. energy: -1.857 local terms energy: -476.134988 where: bonds (distance) C4'-P energy: -108.961 bonds (distance) P-C4' energy: -136.207 flat angles C4'-P-C4' energy: -126.494 flat angles P-C4'-P energy: -72.478 tors. eta vs tors. theta energy: -31.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -702.191020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.191020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.191020 (E_RNA) where: Base-Base interactions energy: -296.746 where: short stacking energy: -184.684 Base-Backbone interact. energy: -2.597 local terms energy: -402.847870 where: bonds (distance) C4'-P energy: -115.818 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -92.424 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: 10.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -635.221892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.221892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.221892 (E_RNA) where: Base-Base interactions energy: -278.073 where: short stacking energy: -182.804 Base-Backbone interact. energy: 12.473 local terms energy: -369.621533 where: bonds (distance) C4'-P energy: -115.317 bonds (distance) P-C4' energy: -136.152 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -31.618 tors. eta vs tors. theta energy: 23.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2607.057902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.057902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.057902 (E_RNA) where: Base-Base interactions energy: -1793.291 where: short stacking energy: -751.406 Base-Backbone interact. energy: -3.388 local terms energy: -810.378854 where: bonds (distance) C4'-P energy: -147.486 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -180.776 flat angles P-C4'-P energy: -100.593 tors. eta vs tors. theta energy: -235.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2481.347513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.347513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.347513 (E_RNA) where: Base-Base interactions energy: -1713.634 where: short stacking energy: -709.248 Base-Backbone interact. energy: -2.275 local terms energy: -765.438152 where: bonds (distance) C4'-P energy: -140.603 bonds (distance) P-C4' energy: -143.775 flat angles C4'-P-C4' energy: -158.867 flat angles P-C4'-P energy: -117.599 tors. eta vs tors. theta energy: -204.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2386.605896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.605896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.605896 (E_RNA) where: Base-Base interactions energy: -1623.680 where: short stacking energy: -728.669 Base-Backbone interact. energy: -3.372 local terms energy: -759.553628 where: bonds (distance) C4'-P energy: -129.085 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -157.967 flat angles P-C4'-P energy: -107.065 tors. eta vs tors. theta energy: -219.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2148.825685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.825685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.825685 (E_RNA) where: Base-Base interactions energy: -1446.997 where: short stacking energy: -618.004 Base-Backbone interact. energy: -5.818 local terms energy: -696.010608 where: bonds (distance) C4'-P energy: -122.381 bonds (distance) P-C4' energy: -136.193 flat angles C4'-P-C4' energy: -156.426 flat angles P-C4'-P energy: -91.161 tors. eta vs tors. theta energy: -189.850 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: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2058.704909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.704909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.704909 (E_RNA) where: Base-Base interactions energy: -1375.784 where: short stacking energy: -578.230 Base-Backbone interact. energy: -2.383 local terms energy: -680.537412 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -135.647 flat angles C4'-P-C4' energy: -150.445 flat angles P-C4'-P energy: -93.677 tors. eta vs tors. theta energy: -160.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1857.823009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.823009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.823009 (E_RNA) where: Base-Base interactions energy: -1218.434 where: short stacking energy: -511.377 Base-Backbone interact. energy: -4.365 local terms energy: -635.023362 where: bonds (distance) C4'-P energy: -116.364 bonds (distance) P-C4' energy: -134.226 flat angles C4'-P-C4' energy: -143.320 flat angles P-C4'-P energy: -107.818 tors. eta vs tors. theta energy: -133.296 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: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1567.066273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.066273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.066273 (E_RNA) where: Base-Base interactions energy: -1010.988 where: short stacking energy: -452.233 Base-Backbone interact. energy: 2.028 local terms energy: -558.106150 where: bonds (distance) C4'-P energy: -121.939 bonds (distance) P-C4' energy: -129.104 flat angles C4'-P-C4' energy: -128.977 flat angles P-C4'-P energy: -83.673 tors. eta vs tors. theta energy: -94.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -981.886422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.886422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.886422 (E_RNA) where: Base-Base interactions energy: -509.998 where: short stacking energy: -257.335 Base-Backbone interact. energy: 0.512 local terms energy: -472.400953 where: bonds (distance) C4'-P energy: -112.420 bonds (distance) P-C4' energy: -126.369 flat angles C4'-P-C4' energy: -133.784 flat angles P-C4'-P energy: -98.327 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -702.120126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.120126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.120126 (E_RNA) where: Base-Base interactions energy: -253.855 where: short stacking energy: -163.690 Base-Backbone interact. energy: -2.169 local terms energy: -446.095682 where: bonds (distance) C4'-P energy: -134.257 bonds (distance) P-C4' energy: -136.340 flat angles C4'-P-C4' energy: -116.841 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: 4.447 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: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -589.853901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.853901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.853901 (E_RNA) where: Base-Base interactions energy: -206.588 where: short stacking energy: -163.215 Base-Backbone interact. energy: 4.365 local terms energy: -387.630365 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -131.066 flat angles C4'-P-C4' energy: -92.408 flat angles P-C4'-P energy: -79.058 tors. eta vs tors. theta energy: 28.986 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: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2615.692864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.692864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.692864 (E_RNA) where: Base-Base interactions energy: -1776.423 where: short stacking energy: -743.972 Base-Backbone interact. energy: -3.075 local terms energy: -836.194783 where: bonds (distance) C4'-P energy: -149.941 bonds (distance) P-C4' energy: -155.421 flat angles C4'-P-C4' energy: -178.760 flat angles P-C4'-P energy: -119.054 tors. eta vs tors. theta energy: -233.019 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: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2466.502101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.502101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.502101 (E_RNA) where: Base-Base interactions energy: -1709.278 where: short stacking energy: -688.629 Base-Backbone interact. energy: -5.086 local terms energy: -752.138778 where: bonds (distance) C4'-P energy: -139.698 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -155.847 flat angles P-C4'-P energy: -101.484 tors. eta vs tors. theta energy: -198.984 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: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2390.990924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.990924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.990924 (E_RNA) where: Base-Base interactions energy: -1602.612 where: short stacking energy: -671.448 Base-Backbone interact. energy: -4.524 local terms energy: -783.854252 where: bonds (distance) C4'-P energy: -143.515 bonds (distance) P-C4' energy: -163.263 flat angles C4'-P-C4' energy: -164.100 flat angles P-C4'-P energy: -106.267 tors. eta vs tors. theta energy: -206.708 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: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2131.537860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.537860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.537860 (E_RNA) where: Base-Base interactions energy: -1436.720 where: short stacking energy: -618.685 Base-Backbone interact. energy: -0.604 local terms energy: -694.213428 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -145.032 flat angles P-C4'-P energy: -92.471 tors. eta vs tors. theta energy: -171.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2083.504323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.504323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.504323 (E_RNA) where: Base-Base interactions energy: -1401.701 where: short stacking energy: -597.284 Base-Backbone interact. energy: -4.030 local terms energy: -677.773149 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -139.519 flat angles C4'-P-C4' energy: -154.196 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -166.048 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1868.340788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.340788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.340788 (E_RNA) where: Base-Base interactions energy: -1229.268 where: short stacking energy: -528.167 Base-Backbone interact. energy: -3.430 local terms energy: -635.642787 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -94.153 tors. eta vs tors. theta energy: -145.407 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: 159 Temperature: 1.200000 Total energy: -1550.572943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.572943 (E_RNA) where: Base-Base interactions energy: -960.331 where: short stacking energy: -429.428 Base-Backbone interact. energy: -1.943 local terms energy: -588.299067 where: bonds (distance) C4'-P energy: -130.256 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -135.640 flat angles P-C4'-P energy: -92.997 tors. eta vs tors. theta energy: -98.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -937.396175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.396175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.396175 (E_RNA) where: Base-Base interactions energy: -494.881 where: short stacking energy: -245.329 Base-Backbone interact. energy: 0.619 local terms energy: -443.133987 where: bonds (distance) C4'-P energy: -132.035 bonds (distance) P-C4' energy: -117.842 flat angles C4'-P-C4' energy: -114.452 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -734.925501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.925501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.925501 (E_RNA) where: Base-Base interactions energy: -330.397 where: short stacking energy: -240.489 Base-Backbone interact. energy: 3.362 local terms energy: -407.890069 where: bonds (distance) C4'-P energy: -109.471 bonds (distance) P-C4' energy: -133.021 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -57.310 tors. eta vs tors. theta energy: -3.830 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: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -600.519201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.519201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.519201 (E_RNA) where: Base-Base interactions energy: -204.415 where: short stacking energy: -153.627 Base-Backbone interact. energy: 1.251 local terms energy: -397.355499 where: bonds (distance) C4'-P energy: -144.301 bonds (distance) P-C4' energy: -122.910 flat angles C4'-P-C4' energy: -96.124 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: 31.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2616.392998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.392998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.392998 (E_RNA) where: Base-Base interactions energy: -1791.542 where: short stacking energy: -760.840 Base-Backbone interact. energy: -3.759 local terms energy: -821.091810 where: bonds (distance) C4'-P energy: -139.413 bonds (distance) P-C4' energy: -165.431 flat angles C4'-P-C4' energy: -171.469 flat angles P-C4'-P energy: -116.503 tors. eta vs tors. theta energy: -228.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2461.250122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.250122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.250122 (E_RNA) where: Base-Base interactions energy: -1681.096 where: short stacking energy: -694.514 Base-Backbone interact. energy: -1.943 local terms energy: -778.210647 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -166.770 flat angles P-C4'-P energy: -115.769 tors. eta vs tors. theta energy: -219.899 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: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2362.253178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.253178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.253178 (E_RNA) where: Base-Base interactions energy: -1632.897 where: short stacking energy: -689.565 Base-Backbone interact. energy: -1.726 local terms energy: -727.630377 where: bonds (distance) C4'-P energy: -125.427 bonds (distance) P-C4' energy: -138.997 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -99.940 tors. eta vs tors. theta energy: -211.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2141.222594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.222594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.222594 (E_RNA) where: Base-Base interactions energy: -1441.234 where: short stacking energy: -598.000 Base-Backbone interact. energy: -5.878 local terms energy: -694.110716 where: bonds (distance) C4'-P energy: -142.954 bonds (distance) P-C4' energy: -138.201 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -100.058 tors. eta vs tors. theta energy: -164.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2058.864298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.864298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.864298 (E_RNA) where: Base-Base interactions energy: -1411.042 where: short stacking energy: -601.717 Base-Backbone interact. energy: -0.124 local terms energy: -647.698310 where: bonds (distance) C4'-P energy: -131.001 bonds (distance) P-C4' energy: -133.099 flat angles C4'-P-C4' energy: -138.895 flat angles P-C4'-P energy: -96.306 tors. eta vs tors. theta energy: -148.398 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: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1858.126414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.126414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.126414 (E_RNA) where: Base-Base interactions energy: -1233.389 where: short stacking energy: -540.617 Base-Backbone interact. energy: -1.456 local terms energy: -623.281556 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -136.173 flat angles C4'-P-C4' energy: -142.749 flat angles P-C4'-P energy: -86.429 tors. eta vs tors. theta energy: -137.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1575.385585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.385585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.385585 (E_RNA) where: Base-Base interactions energy: -1014.197 where: short stacking energy: -453.994 Base-Backbone interact. energy: 2.105 local terms energy: -563.293618 where: bonds (distance) C4'-P energy: -130.024 bonds (distance) P-C4' energy: -124.630 flat angles C4'-P-C4' energy: -125.746 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -103.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -936.217106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.217106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.217106 (E_RNA) where: Base-Base interactions energy: -482.061 where: short stacking energy: -260.194 Base-Backbone interact. energy: -1.162 local terms energy: -452.994173 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -142.569 flat angles C4'-P-C4' energy: -114.539 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -9.927 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: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -691.786245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.786245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.786245 (E_RNA) where: Base-Base interactions energy: -304.753 where: short stacking energy: -213.862 Base-Backbone interact. energy: 1.186 local terms energy: -388.218736 where: bonds (distance) C4'-P energy: -117.311 bonds (distance) P-C4' energy: -123.881 flat angles C4'-P-C4' energy: -95.739 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: 7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -570.723385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.723385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.723385 (E_RNA) where: Base-Base interactions energy: -197.546 where: short stacking energy: -136.601 Base-Backbone interact. energy: 8.433 local terms energy: -381.611091 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -47.766 tors. eta vs tors. theta energy: 34.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2607.853309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.853309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.853309 (E_RNA) where: Base-Base interactions energy: -1785.928 where: short stacking energy: -735.638 Base-Backbone interact. energy: -3.211 local terms energy: -818.714607 where: bonds (distance) C4'-P energy: -153.813 bonds (distance) P-C4' energy: -157.740 flat angles C4'-P-C4' energy: -169.615 flat angles P-C4'-P energy: -111.804 tors. eta vs tors. theta energy: -225.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2469.059850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.059850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.059850 (E_RNA) where: Base-Base interactions energy: -1656.666 where: short stacking energy: -710.300 Base-Backbone interact. energy: -5.267 local terms energy: -807.126467 where: bonds (distance) C4'-P energy: -150.044 bonds (distance) P-C4' energy: -165.077 flat angles C4'-P-C4' energy: -172.095 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: -220.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2394.140351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.140351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.140351 (E_RNA) where: Base-Base interactions energy: -1620.868 where: short stacking energy: -690.553 Base-Backbone interact. energy: 1.125 local terms energy: -774.397231 where: bonds (distance) C4'-P energy: -138.448 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -174.783 flat angles P-C4'-P energy: -101.332 tors. eta vs tors. theta energy: -221.295 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: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2214.050528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.050528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.050528 (E_RNA) where: Base-Base interactions energy: -1470.832 where: short stacking energy: -621.522 Base-Backbone interact. energy: -3.177 local terms energy: -740.041769 where: bonds (distance) C4'-P energy: -152.950 bonds (distance) P-C4' energy: -139.323 flat angles C4'-P-C4' energy: -165.791 flat angles P-C4'-P energy: -108.466 tors. eta vs tors. theta energy: -173.511 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: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2057.340937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.340937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.340937 (E_RNA) where: Base-Base interactions energy: -1393.342 where: short stacking energy: -584.943 Base-Backbone interact. energy: -1.729 local terms energy: -662.269815 where: bonds (distance) C4'-P energy: -123.335 bonds (distance) P-C4' energy: -134.935 flat angles C4'-P-C4' energy: -153.264 flat angles P-C4'-P energy: -89.890 tors. eta vs tors. theta energy: -160.845 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: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1876.464924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.464924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.464924 (E_RNA) where: Base-Base interactions energy: -1234.158 where: short stacking energy: -511.734 Base-Backbone interact. energy: -2.228 local terms energy: -640.078525 where: bonds (distance) C4'-P energy: -127.688 bonds (distance) P-C4' energy: -129.465 flat angles C4'-P-C4' energy: -144.326 flat angles P-C4'-P energy: -101.032 tors. eta vs tors. theta energy: -137.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1570.860694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.860694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.860694 (E_RNA) where: Base-Base interactions energy: -996.458 where: short stacking energy: -451.082 Base-Backbone interact. energy: 2.305 local terms energy: -576.707465 where: bonds (distance) C4'-P energy: -132.797 bonds (distance) P-C4' energy: -129.573 flat angles C4'-P-C4' energy: -143.156 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -109.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -955.880372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.880372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.880372 (E_RNA) where: Base-Base interactions energy: -484.060 where: short stacking energy: -259.758 Base-Backbone interact. energy: -0.430 local terms energy: -471.391089 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -2.260 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: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -739.772618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.772618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.772618 (E_RNA) where: Base-Base interactions energy: -346.067 where: short stacking energy: -214.793 Base-Backbone interact. energy: 0.673 local terms energy: -394.378627 where: bonds (distance) C4'-P energy: -103.061 bonds (distance) P-C4' energy: -132.728 flat angles C4'-P-C4' energy: -87.826 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: 1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -570.897191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.897191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.897191 (E_RNA) where: Base-Base interactions energy: -168.064 where: short stacking energy: -151.977 Base-Backbone interact. energy: -0.052 local terms energy: -402.781146 where: bonds (distance) C4'-P energy: -131.321 bonds (distance) P-C4' energy: -128.395 flat angles C4'-P-C4' energy: -110.818 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: 16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2595.317642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.317642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.317642 (E_RNA) where: Base-Base interactions energy: -1771.081 where: short stacking energy: -743.262 Base-Backbone interact. energy: 1.763 local terms energy: -825.999898 where: bonds (distance) C4'-P energy: -154.230 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -172.750 flat angles P-C4'-P energy: -120.382 tors. eta vs tors. theta energy: -220.423 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: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2499.407473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.407473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.407473 (E_RNA) where: Base-Base interactions energy: -1709.270 where: short stacking energy: -726.261 Base-Backbone interact. energy: -1.830 local terms energy: -788.307908 where: bonds (distance) C4'-P energy: -146.091 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -159.564 flat angles P-C4'-P energy: -110.971 tors. eta vs tors. theta energy: -216.468 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: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2365.891464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.891464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.891464 (E_RNA) where: Base-Base interactions energy: -1566.516 where: short stacking energy: -688.005 Base-Backbone interact. energy: -2.579 local terms energy: -796.796419 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -176.405 flat angles P-C4'-P energy: -116.671 tors. eta vs tors. theta energy: -228.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2089.129366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.129366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.129366 (E_RNA) where: Base-Base interactions energy: -1371.329 where: short stacking energy: -581.862 Base-Backbone interact. energy: -5.462 local terms energy: -712.337606 where: bonds (distance) C4'-P energy: -152.576 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -159.600 flat angles P-C4'-P energy: -105.094 tors. eta vs tors. theta energy: -157.288 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: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2061.793454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.793454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.793454 (E_RNA) where: Base-Base interactions energy: -1378.666 where: short stacking energy: -601.154 Base-Backbone interact. energy: 2.145 local terms energy: -685.272332 where: bonds (distance) C4'-P energy: -145.677 bonds (distance) P-C4' energy: -117.981 flat angles C4'-P-C4' energy: -158.104 flat angles P-C4'-P energy: -104.477 tors. eta vs tors. theta energy: -159.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1899.866018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.866018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.866018 (E_RNA) where: Base-Base interactions energy: -1250.605 where: short stacking energy: -531.440 Base-Backbone interact. energy: 7.080 local terms energy: -656.340418 where: bonds (distance) C4'-P energy: -144.710 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -133.825 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -142.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1597.471025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.471025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.471025 (E_RNA) where: Base-Base interactions energy: -1045.610 where: short stacking energy: -464.301 Base-Backbone interact. energy: 0.655 local terms energy: -552.516094 where: bonds (distance) C4'-P energy: -111.524 bonds (distance) P-C4' energy: -121.187 flat angles C4'-P-C4' energy: -130.468 flat angles P-C4'-P energy: -68.876 tors. eta vs tors. theta energy: -120.460 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: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -972.846706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.846706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.846706 (E_RNA) where: Base-Base interactions energy: -509.273 where: short stacking energy: -261.653 Base-Backbone interact. energy: 9.280 local terms energy: -472.854537 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -135.762 flat angles C4'-P-C4' energy: -120.180 flat angles P-C4'-P energy: -68.783 tors. eta vs tors. theta energy: -19.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -681.057430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.057430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.057430 (E_RNA) where: Base-Base interactions energy: -310.407 where: short stacking energy: -180.492 Base-Backbone interact. energy: 3.350 local terms energy: -374.000377 where: bonds (distance) C4'-P energy: -110.624 bonds (distance) P-C4' energy: -119.568 flat angles C4'-P-C4' energy: -115.245 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: 16.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -572.780007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.780007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.780007 (E_RNA) where: Base-Base interactions energy: -193.929 where: short stacking energy: -153.419 Base-Backbone interact. energy: 2.439 local terms energy: -381.289472 where: bonds (distance) C4'-P energy: -118.213 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -111.335 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: 34.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2611.156820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.156820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.156820 (E_RNA) where: Base-Base interactions energy: -1806.360 where: short stacking energy: -773.436 Base-Backbone interact. energy: -3.091 local terms energy: -801.705646 where: bonds (distance) C4'-P energy: -151.423 bonds (distance) P-C4' energy: -149.049 flat angles C4'-P-C4' energy: -169.052 flat angles P-C4'-P energy: -108.928 tors. eta vs tors. theta energy: -223.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2452.144507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.144507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.144507 (E_RNA) where: Base-Base interactions energy: -1681.475 where: short stacking energy: -690.632 Base-Backbone interact. energy: -1.088 local terms energy: -769.581311 where: bonds (distance) C4'-P energy: -152.188 bonds (distance) P-C4' energy: -145.130 flat angles C4'-P-C4' energy: -168.490 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -194.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2332.628792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.628792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.628792 (E_RNA) where: Base-Base interactions energy: -1590.853 where: short stacking energy: -672.154 Base-Backbone interact. energy: 3.288 local terms energy: -745.063420 where: bonds (distance) C4'-P energy: -137.354 bonds (distance) P-C4' energy: -133.932 flat angles C4'-P-C4' energy: -156.161 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -210.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2184.385218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.385218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.385218 (E_RNA) where: Base-Base interactions energy: -1451.114 where: short stacking energy: -625.241 Base-Backbone interact. energy: -0.747 local terms energy: -732.524539 where: bonds (distance) C4'-P energy: -132.592 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -154.607 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -181.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2067.997926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.997926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.997926 (E_RNA) where: Base-Base interactions energy: -1362.934 where: short stacking energy: -547.952 Base-Backbone interact. energy: -3.884 local terms energy: -701.179598 where: bonds (distance) C4'-P energy: -144.615 bonds (distance) P-C4' energy: -140.702 flat angles C4'-P-C4' energy: -155.929 flat angles P-C4'-P energy: -93.071 tors. eta vs tors. theta energy: -166.863 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: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1883.957828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.957828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.957828 (E_RNA) where: Base-Base interactions energy: -1244.437 where: short stacking energy: -527.383 Base-Backbone interact. energy: -2.203 local terms energy: -637.316921 where: bonds (distance) C4'-P energy: -130.033 bonds (distance) P-C4' energy: -139.729 flat angles C4'-P-C4' energy: -128.966 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -144.349 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1561.381331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.381331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.381331 (E_RNA) where: Base-Base interactions energy: -963.934 where: short stacking energy: -434.144 Base-Backbone interact. energy: -1.383 local terms energy: -596.065240 where: bonds (distance) C4'-P energy: -121.969 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -149.384 flat angles P-C4'-P energy: -103.388 tors. eta vs tors. theta energy: -80.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1018.844264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.844264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.844264 (E_RNA) where: Base-Base interactions energy: -558.840 where: short stacking energy: -270.485 Base-Backbone interact. energy: 0.387 local terms energy: -460.391516 where: bonds (distance) C4'-P energy: -121.371 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -121.933 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -25.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -737.278332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.278332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.278332 (E_RNA) where: Base-Base interactions energy: -358.736 where: short stacking energy: -186.479 Base-Backbone interact. energy: 7.010 local terms energy: -385.552432 where: bonds (distance) C4'-P energy: -127.307 bonds (distance) P-C4' energy: -132.673 flat angles C4'-P-C4' energy: -94.000 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: 22.411 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: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -537.938370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.938370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.938370 (E_RNA) where: Base-Base interactions energy: -151.779 where: short stacking energy: -136.782 Base-Backbone interact. energy: -1.454 local terms energy: -384.705007 where: bonds (distance) C4'-P energy: -115.306 bonds (distance) P-C4' energy: -136.325 flat angles C4'-P-C4' energy: -104.727 flat angles P-C4'-P energy: -61.453 tors. eta vs tors. theta energy: 33.106 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2618.691865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.691865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.691865 (E_RNA) where: Base-Base interactions energy: -1808.238 where: short stacking energy: -719.465 Base-Backbone interact. energy: -1.858 local terms energy: -808.595832 where: bonds (distance) C4'-P energy: -148.991 bonds (distance) P-C4' energy: -154.332 flat angles C4'-P-C4' energy: -170.140 flat angles P-C4'-P energy: -117.779 tors. eta vs tors. theta energy: -217.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2441.800422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.800422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.800422 (E_RNA) where: Base-Base interactions energy: -1659.523 where: short stacking energy: -694.035 Base-Backbone interact. energy: -3.123 local terms energy: -779.154167 where: bonds (distance) C4'-P energy: -149.572 bonds (distance) P-C4' energy: -143.042 flat angles C4'-P-C4' energy: -170.107 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -205.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2410.264258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.264258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.264258 (E_RNA) where: Base-Base interactions energy: -1654.510 where: short stacking energy: -689.951 Base-Backbone interact. energy: 1.532 local terms energy: -757.285949 where: bonds (distance) C4'-P energy: -133.722 bonds (distance) P-C4' energy: -130.465 flat angles C4'-P-C4' energy: -166.397 flat angles P-C4'-P energy: -101.317 tors. eta vs tors. theta energy: -225.385 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: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2177.798067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.798067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.798067 (E_RNA) where: Base-Base interactions energy: -1481.922 where: short stacking energy: -640.784 Base-Backbone interact. energy: 6.347 local terms energy: -702.222962 where: bonds (distance) C4'-P energy: -135.971 bonds (distance) P-C4' energy: -133.244 flat angles C4'-P-C4' energy: -159.270 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -172.194 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: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2023.470495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.470495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.470495 (E_RNA) where: Base-Base interactions energy: -1339.383 where: short stacking energy: -575.296 Base-Backbone interact. energy: -1.198 local terms energy: -682.890106 where: bonds (distance) C4'-P energy: -140.955 bonds (distance) P-C4' energy: -132.739 flat angles C4'-P-C4' energy: -144.153 flat angles P-C4'-P energy: -121.963 tors. eta vs tors. theta energy: -143.079 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: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1907.860919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.860919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.860919 (E_RNA) where: Base-Base interactions energy: -1257.296 where: short stacking energy: -543.594 Base-Backbone interact. energy: -5.252 local terms energy: -645.312934 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -122.883 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -98.329 tors. eta vs tors. theta energy: -149.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1504.922931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.922931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.922931 (E_RNA) where: Base-Base interactions energy: -940.011 where: short stacking energy: -432.972 Base-Backbone interact. energy: 8.209 local terms energy: -573.121058 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -129.129 flat angles C4'-P-C4' energy: -138.683 flat angles P-C4'-P energy: -87.732 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: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1008.907509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.907509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.907509 (E_RNA) where: Base-Base interactions energy: -514.965 where: short stacking energy: -266.066 Base-Backbone interact. energy: 0.826 local terms energy: -494.767876 where: bonds (distance) C4'-P energy: -137.262 bonds (distance) P-C4' energy: -138.757 flat angles C4'-P-C4' energy: -114.523 flat angles P-C4'-P energy: -75.158 tors. eta vs tors. theta energy: -29.068 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: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -821.755987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.755987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.755987 (E_RNA) where: Base-Base interactions energy: -399.940 where: short stacking energy: -210.908 Base-Backbone interact. energy: -1.817 local terms energy: -419.999167 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -125.034 flat angles C4'-P-C4' energy: -102.026 flat angles P-C4'-P energy: -88.556 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: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -563.254752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.254752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.254752 (E_RNA) where: Base-Base interactions energy: -179.689 where: short stacking energy: -125.608 Base-Backbone interact. energy: 0.281 local terms energy: -383.847356 where: bonds (distance) C4'-P energy: -133.232 bonds (distance) P-C4' energy: -131.023 flat angles C4'-P-C4' energy: -91.437 flat angles P-C4'-P energy: -57.004 tors. eta vs tors. theta energy: 28.850 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2625.698182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.698182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.698182 (E_RNA) where: Base-Base interactions energy: -1800.147 where: short stacking energy: -755.778 Base-Backbone interact. energy: -3.971 local terms energy: -821.580230 where: bonds (distance) C4'-P energy: -147.163 bonds (distance) P-C4' energy: -144.124 flat angles C4'-P-C4' energy: -183.441 flat angles P-C4'-P energy: -120.251 tors. eta vs tors. theta energy: -226.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2465.427451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.427451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.427451 (E_RNA) where: Base-Base interactions energy: -1682.692 where: short stacking energy: -698.673 Base-Backbone interact. energy: -3.032 local terms energy: -779.703491 where: bonds (distance) C4'-P energy: -143.153 bonds (distance) P-C4' energy: -145.636 flat angles C4'-P-C4' energy: -168.181 flat angles P-C4'-P energy: -104.868 tors. eta vs tors. theta energy: -217.865 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: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2371.850508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.850508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.850508 (E_RNA) where: Base-Base interactions energy: -1588.384 where: short stacking energy: -670.853 Base-Backbone interact. energy: -4.809 local terms energy: -778.657581 where: bonds (distance) C4'-P energy: -145.726 bonds (distance) P-C4' energy: -156.357 flat angles C4'-P-C4' energy: -155.885 flat angles P-C4'-P energy: -107.365 tors. eta vs tors. theta energy: -213.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2158.602286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.602286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.602286 (E_RNA) where: Base-Base interactions energy: -1446.402 where: short stacking energy: -622.190 Base-Backbone interact. energy: 1.226 local terms energy: -713.426078 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -157.940 flat angles C4'-P-C4' energy: -154.182 flat angles P-C4'-P energy: -101.233 tors. eta vs tors. theta energy: -184.433 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: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2037.898800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.898800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.898800 (E_RNA) where: Base-Base interactions energy: -1380.523 where: short stacking energy: -584.984 Base-Backbone interact. energy: -3.350 local terms energy: -654.025458 where: bonds (distance) C4'-P energy: -142.227 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -146.768 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -164.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1855.603026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.603026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.603026 (E_RNA) where: Base-Base interactions energy: -1244.815 where: short stacking energy: -516.501 Base-Backbone interact. energy: -3.016 local terms energy: -607.772036 where: bonds (distance) C4'-P energy: -120.264 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -142.218 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -126.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1486.165728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.165728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.165728 (E_RNA) where: Base-Base interactions energy: -924.282 where: short stacking energy: -431.420 Base-Backbone interact. energy: 2.364 local terms energy: -564.248067 where: bonds (distance) C4'-P energy: -120.268 bonds (distance) P-C4' energy: -136.437 flat angles C4'-P-C4' energy: -126.827 flat angles P-C4'-P energy: -78.810 tors. eta vs tors. theta energy: -101.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1074.961288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.961288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.961288 (E_RNA) where: Base-Base interactions energy: -579.572 where: short stacking energy: -320.236 Base-Backbone interact. energy: -2.269 local terms energy: -493.121023 where: bonds (distance) C4'-P energy: -104.729 bonds (distance) P-C4' energy: -137.135 flat angles C4'-P-C4' energy: -113.152 flat angles P-C4'-P energy: -91.090 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: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -679.314913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.314913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.314913 (E_RNA) where: Base-Base interactions energy: -248.048 where: short stacking energy: -148.296 Base-Backbone interact. energy: -5.325 local terms energy: -425.941414 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -142.848 flat angles C4'-P-C4' energy: -109.516 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: 26.523 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: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -523.324119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.324119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.324119 (E_RNA) where: Base-Base interactions energy: -195.805 where: short stacking energy: -150.764 Base-Backbone interact. energy: 2.233 local terms energy: -329.752064 where: bonds (distance) C4'-P energy: -110.550 bonds (distance) P-C4' energy: -106.485 flat angles C4'-P-C4' energy: -101.203 flat angles P-C4'-P energy: -57.170 tors. eta vs tors. theta energy: 45.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2592.504534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.504534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.504534 (E_RNA) where: Base-Base interactions energy: -1771.577 where: short stacking energy: -760.112 Base-Backbone interact. energy: -5.017 local terms energy: -815.910385 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -180.948 flat angles P-C4'-P energy: -98.739 tors. eta vs tors. theta energy: -220.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2447.107357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.107357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.107357 (E_RNA) where: Base-Base interactions energy: -1659.325 where: short stacking energy: -712.439 Base-Backbone interact. energy: -1.314 local terms energy: -786.467993 where: bonds (distance) C4'-P energy: -151.319 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -166.543 flat angles P-C4'-P energy: -105.872 tors. eta vs tors. theta energy: -207.131 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: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2387.760205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.760205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.760205 (E_RNA) where: Base-Base interactions energy: -1599.116 where: short stacking energy: -708.087 Base-Backbone interact. energy: -3.238 local terms energy: -785.406320 where: bonds (distance) C4'-P energy: -144.213 bonds (distance) P-C4' energy: -138.111 flat angles C4'-P-C4' energy: -168.402 flat angles P-C4'-P energy: -119.714 tors. eta vs tors. theta energy: -214.966 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: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2190.771835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.771835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.771835 (E_RNA) where: Base-Base interactions energy: -1453.392 where: short stacking energy: -627.210 Base-Backbone interact. energy: -5.810 local terms energy: -731.569554 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -140.952 flat angles C4'-P-C4' energy: -162.889 flat angles P-C4'-P energy: -114.895 tors. eta vs tors. theta energy: -175.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2093.863066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.863066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.863066 (E_RNA) where: Base-Base interactions energy: -1424.764 where: short stacking energy: -612.504 Base-Backbone interact. energy: -1.297 local terms energy: -667.802401 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -141.640 flat angles C4'-P-C4' energy: -146.105 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -163.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1901.788566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.788566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.788566 (E_RNA) where: Base-Base interactions energy: -1261.532 where: short stacking energy: -556.407 Base-Backbone interact. energy: -2.282 local terms energy: -637.974061 where: bonds (distance) C4'-P energy: -116.664 bonds (distance) P-C4' energy: -126.091 flat angles C4'-P-C4' energy: -145.391 flat angles P-C4'-P energy: -101.664 tors. eta vs tors. theta energy: -148.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1527.895234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.895234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.895234 (E_RNA) where: Base-Base interactions energy: -940.707 where: short stacking energy: -429.739 Base-Backbone interact. energy: -3.288 local terms energy: -583.900151 where: bonds (distance) C4'-P energy: -107.317 bonds (distance) P-C4' energy: -130.954 flat angles C4'-P-C4' energy: -149.355 flat angles P-C4'-P energy: -88.726 tors. eta vs tors. theta energy: -107.547 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: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1017.423778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.423778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.423778 (E_RNA) where: Base-Base interactions energy: -548.325 where: short stacking energy: -306.060 Base-Backbone interact. energy: 8.612 local terms energy: -477.710920 where: bonds (distance) C4'-P energy: -112.867 bonds (distance) P-C4' energy: -130.155 flat angles C4'-P-C4' energy: -134.952 flat angles P-C4'-P energy: -71.366 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: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -687.652953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.652953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.652953 (E_RNA) where: Base-Base interactions energy: -291.699 where: short stacking energy: -195.023 Base-Backbone interact. energy: 4.594 local terms energy: -400.548383 where: bonds (distance) C4'-P energy: -120.672 bonds (distance) P-C4' energy: -119.102 flat angles C4'-P-C4' energy: -114.198 flat angles P-C4'-P energy: -47.992 tors. eta vs tors. theta energy: 1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -584.914311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.914311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.914311 (E_RNA) where: Base-Base interactions energy: -166.343 where: short stacking energy: -136.780 Base-Backbone interact. energy: 9.807 local terms energy: -428.378757 where: bonds (distance) C4'-P energy: -136.718 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -111.680 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: 14.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2602.084905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.084905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.084905 (E_RNA) where: Base-Base interactions energy: -1771.149 where: short stacking energy: -727.058 Base-Backbone interact. energy: -2.891 local terms energy: -828.044467 where: bonds (distance) C4'-P energy: -166.003 bonds (distance) P-C4' energy: -140.508 flat angles C4'-P-C4' energy: -187.520 flat angles P-C4'-P energy: -115.800 tors. eta vs tors. theta energy: -218.215 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: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2428.239563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.239563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.239563 (E_RNA) where: Base-Base interactions energy: -1647.526 where: short stacking energy: -696.661 Base-Backbone interact. energy: -2.105 local terms energy: -778.608864 where: bonds (distance) C4'-P energy: -149.158 bonds (distance) P-C4' energy: -138.286 flat angles C4'-P-C4' energy: -163.250 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -221.508 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: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2387.209036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.209036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.209036 (E_RNA) where: Base-Base interactions energy: -1626.236 where: short stacking energy: -679.529 Base-Backbone interact. energy: 0.608 local terms energy: -761.581736 where: bonds (distance) C4'-P energy: -144.838 bonds (distance) P-C4' energy: -145.387 flat angles C4'-P-C4' energy: -161.285 flat angles P-C4'-P energy: -101.500 tors. eta vs tors. theta energy: -208.573 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: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2149.440111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.440111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.440111 (E_RNA) where: Base-Base interactions energy: -1428.433 where: short stacking energy: -613.745 Base-Backbone interact. energy: -0.140 local terms energy: -720.867001 where: bonds (distance) C4'-P energy: -128.463 bonds (distance) P-C4' energy: -154.391 flat angles C4'-P-C4' energy: -165.468 flat angles P-C4'-P energy: -92.855 tors. eta vs tors. theta energy: -179.690 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2060.281799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.281799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.281799 (E_RNA) where: Base-Base interactions energy: -1407.425 where: short stacking energy: -615.145 Base-Backbone interact. energy: -4.752 local terms energy: -648.105588 where: bonds (distance) C4'-P energy: -122.304 bonds (distance) P-C4' energy: -132.138 flat angles C4'-P-C4' energy: -133.194 flat angles P-C4'-P energy: -92.322 tors. eta vs tors. theta energy: -168.148 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: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1905.153068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.153068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.153068 (E_RNA) where: Base-Base interactions energy: -1260.314 where: short stacking energy: -542.410 Base-Backbone interact. energy: 4.441 local terms energy: -649.280424 where: bonds (distance) C4'-P energy: -123.746 bonds (distance) P-C4' energy: -141.446 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -82.128 tors. eta vs tors. theta energy: -152.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1467.818960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.818960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.818960 (E_RNA) where: Base-Base interactions energy: -884.025 where: short stacking energy: -430.019 Base-Backbone interact. energy: -1.785 local terms energy: -582.009138 where: bonds (distance) C4'-P energy: -132.116 bonds (distance) P-C4' energy: -122.340 flat angles C4'-P-C4' energy: -145.605 flat angles P-C4'-P energy: -92.642 tors. eta vs tors. theta energy: -89.307 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: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1101.669708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.669708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.669708 (E_RNA) where: Base-Base interactions energy: -595.464 where: short stacking energy: -250.806 Base-Backbone interact. energy: -2.207 local terms energy: -503.998873 where: bonds (distance) C4'-P energy: -123.214 bonds (distance) P-C4' energy: -145.001 flat angles C4'-P-C4' energy: -127.066 flat angles P-C4'-P energy: -79.896 tors. eta vs tors. theta energy: -28.822 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: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -698.397224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.397224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.397224 (E_RNA) where: Base-Base interactions energy: -253.921 where: short stacking energy: -188.282 Base-Backbone interact. energy: -1.265 local terms energy: -443.211276 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -114.299 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -568.880542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.880542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.880542 (E_RNA) where: Base-Base interactions energy: -207.761 where: short stacking energy: -148.585 Base-Backbone interact. energy: -3.172 local terms energy: -357.947210 where: bonds (distance) C4'-P energy: -112.539 bonds (distance) P-C4' energy: -121.994 flat angles C4'-P-C4' energy: -90.852 flat angles P-C4'-P energy: -67.221 tors. eta vs tors. theta energy: 34.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2597.924235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.924235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.924235 (E_RNA) where: Base-Base interactions energy: -1809.473 where: short stacking energy: -739.456 Base-Backbone interact. energy: -2.392 local terms energy: -786.059462 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -140.568 flat angles C4'-P-C4' energy: -163.441 flat angles P-C4'-P energy: -104.724 tors. eta vs tors. theta energy: -223.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2448.111347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.111347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.111347 (E_RNA) where: Base-Base interactions energy: -1647.122 where: short stacking energy: -678.680 Base-Backbone interact. energy: -3.377 local terms energy: -797.612338 where: bonds (distance) C4'-P energy: -149.590 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -174.316 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -220.603 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: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2381.406417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.406417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.406417 (E_RNA) where: Base-Base interactions energy: -1617.997 where: short stacking energy: -680.721 Base-Backbone interact. energy: -3.687 local terms energy: -759.722417 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -163.474 flat angles C4'-P-C4' energy: -162.704 flat angles P-C4'-P energy: -87.913 tors. eta vs tors. theta energy: -214.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2162.954614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.954614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.954614 (E_RNA) where: Base-Base interactions energy: -1439.119 where: short stacking energy: -630.354 Base-Backbone interact. energy: -0.665 local terms energy: -723.171021 where: bonds (distance) C4'-P energy: -146.562 bonds (distance) P-C4' energy: -139.826 flat angles C4'-P-C4' energy: -144.997 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -183.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2061.861345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.861345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.861345 (E_RNA) where: Base-Base interactions energy: -1376.091 where: short stacking energy: -550.433 Base-Backbone interact. energy: 0.395 local terms energy: -686.165188 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -152.188 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -151.857 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: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1875.072809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.072809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.072809 (E_RNA) where: Base-Base interactions energy: -1236.964 where: short stacking energy: -555.445 Base-Backbone interact. energy: -2.317 local terms energy: -635.792231 where: bonds (distance) C4'-P energy: -133.731 bonds (distance) P-C4' energy: -134.010 flat angles C4'-P-C4' energy: -145.354 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -148.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1515.278612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.278612 (E_RNA) where: Base-Base interactions energy: -966.531 where: short stacking energy: -451.637 Base-Backbone interact. energy: 0.216 local terms energy: -548.963241 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -86.754 tors. eta vs tors. theta energy: -98.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1198.111234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.111234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.111234 (E_RNA) where: Base-Base interactions energy: -678.689 where: short stacking energy: -331.908 Base-Backbone interact. energy: -2.117 local terms energy: -517.304940 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -131.106 flat angles C4'-P-C4' energy: -120.041 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -56.232 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: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -711.182080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.182080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.182080 (E_RNA) where: Base-Base interactions energy: -299.760 where: short stacking energy: -196.704 Base-Backbone interact. energy: 6.016 local terms energy: -417.437804 where: bonds (distance) C4'-P energy: -123.239 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -75.731 tors. eta vs tors. theta energy: 2.316 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: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -613.873309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.873309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.873309 (E_RNA) where: Base-Base interactions energy: -235.778 where: short stacking energy: -184.612 Base-Backbone interact. energy: 8.079 local terms energy: -386.174319 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -134.088 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -52.098 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: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2592.010215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.010215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.010215 (E_RNA) where: Base-Base interactions energy: -1771.827 where: short stacking energy: -721.225 Base-Backbone interact. energy: -3.577 local terms energy: -816.606775 where: bonds (distance) C4'-P energy: -154.671 bonds (distance) P-C4' energy: -160.972 flat angles C4'-P-C4' energy: -173.551 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -225.877 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: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2405.648410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.648410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.648410 (E_RNA) where: Base-Base interactions energy: -1625.480 where: short stacking energy: -728.278 Base-Backbone interact. energy: -3.392 local terms energy: -776.776209 where: bonds (distance) C4'-P energy: -137.198 bonds (distance) P-C4' energy: -150.357 flat angles C4'-P-C4' energy: -160.443 flat angles P-C4'-P energy: -108.494 tors. eta vs tors. theta energy: -220.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2398.996049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.996049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.996049 (E_RNA) where: Base-Base interactions energy: -1625.962 where: short stacking energy: -686.380 Base-Backbone interact. energy: -1.474 local terms energy: -771.559900 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -150.958 flat angles C4'-P-C4' energy: -161.556 flat angles P-C4'-P energy: -110.158 tors. eta vs tors. theta energy: -207.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2146.909750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.909750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.909750 (E_RNA) where: Base-Base interactions energy: -1439.485 where: short stacking energy: -618.472 Base-Backbone interact. energy: -1.634 local terms energy: -705.790790 where: bonds (distance) C4'-P energy: -119.165 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -163.385 flat angles P-C4'-P energy: -108.930 tors. eta vs tors. theta energy: -183.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2085.798040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.798040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.798040 (E_RNA) where: Base-Base interactions energy: -1376.779 where: short stacking energy: -610.685 Base-Backbone interact. energy: 3.656 local terms energy: -712.674814 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -147.288 flat angles C4'-P-C4' energy: -164.215 flat angles P-C4'-P energy: -103.510 tors. eta vs tors. theta energy: -163.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1907.219403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.219403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.219403 (E_RNA) where: Base-Base interactions energy: -1277.302 where: short stacking energy: -545.933 Base-Backbone interact. energy: 1.994 local terms energy: -631.911482 where: bonds (distance) C4'-P energy: -138.650 bonds (distance) P-C4' energy: -130.601 flat angles C4'-P-C4' energy: -137.222 flat angles P-C4'-P energy: -77.106 tors. eta vs tors. theta energy: -148.332 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: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1535.181694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.181694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.181694 (E_RNA) where: Base-Base interactions energy: -977.051 where: short stacking energy: -453.140 Base-Backbone interact. energy: -2.026 local terms energy: -556.105194 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -125.379 flat angles C4'-P-C4' energy: -136.506 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -91.879 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: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1219.849574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.849574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.849574 (E_RNA) where: Base-Base interactions energy: -743.652 where: short stacking energy: -346.089 Base-Backbone interact. energy: 1.365 local terms energy: -477.561873 where: bonds (distance) C4'-P energy: -120.687 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -135.752 flat angles P-C4'-P energy: -54.369 tors. eta vs tors. theta energy: -42.022 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -745.021950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.021950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.021950 (E_RNA) where: Base-Base interactions energy: -331.008 where: short stacking energy: -208.454 Base-Backbone interact. energy: 5.211 local terms energy: -419.225027 where: bonds (distance) C4'-P energy: -119.962 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: 4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -609.246694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.246694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.246694 (E_RNA) where: Base-Base interactions energy: -255.331 where: short stacking energy: -205.739 Base-Backbone interact. energy: 6.006 local terms energy: -359.921659 where: bonds (distance) C4'-P energy: -99.853 bonds (distance) P-C4' energy: -126.015 flat angles C4'-P-C4' energy: -82.480 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: 2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2582.504793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.504793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.504793 (E_RNA) where: Base-Base interactions energy: -1771.236 where: short stacking energy: -733.086 Base-Backbone interact. energy: -0.625 local terms energy: -810.643502 where: bonds (distance) C4'-P energy: -150.477 bonds (distance) P-C4' energy: -151.036 flat angles C4'-P-C4' energy: -169.998 flat angles P-C4'-P energy: -118.415 tors. eta vs tors. theta energy: -220.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2453.882954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.882954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.882954 (E_RNA) where: Base-Base interactions energy: -1651.111 where: short stacking energy: -718.711 Base-Backbone interact. energy: -2.861 local terms energy: -799.911044 where: bonds (distance) C4'-P energy: -131.444 bonds (distance) P-C4' energy: -152.745 flat angles C4'-P-C4' energy: -167.716 flat angles P-C4'-P energy: -118.913 tors. eta vs tors. theta energy: -229.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2365.702133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.702133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.702133 (E_RNA) where: Base-Base interactions energy: -1627.792 where: short stacking energy: -686.664 Base-Backbone interact. energy: -0.789 local terms energy: -737.121096 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -157.807 flat angles P-C4'-P energy: -98.203 tors. eta vs tors. theta energy: -197.278 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: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2157.648873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.648873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.648873 (E_RNA) where: Base-Base interactions energy: -1461.362 where: short stacking energy: -622.792 Base-Backbone interact. energy: -0.085 local terms energy: -696.202202 where: bonds (distance) C4'-P energy: -143.624 bonds (distance) P-C4' energy: -135.121 flat angles C4'-P-C4' energy: -145.483 flat angles P-C4'-P energy: -101.581 tors. eta vs tors. theta energy: -170.394 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: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2059.594038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.594038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.594038 (E_RNA) where: Base-Base interactions energy: -1382.879 where: short stacking energy: -580.181 Base-Backbone interact. energy: -2.190 local terms energy: -674.524806 where: bonds (distance) C4'-P energy: -140.354 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -138.974 flat angles P-C4'-P energy: -84.183 tors. eta vs tors. theta energy: -165.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1911.713200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.713200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.713200 (E_RNA) where: Base-Base interactions energy: -1252.399 where: short stacking energy: -517.309 Base-Backbone interact. energy: 0.673 local terms energy: -659.987108 where: bonds (distance) C4'-P energy: -132.186 bonds (distance) P-C4' energy: -132.811 flat angles C4'-P-C4' energy: -136.586 flat angles P-C4'-P energy: -105.539 tors. eta vs tors. theta energy: -152.864 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: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1466.621010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.621010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.621010 (E_RNA) where: Base-Base interactions energy: -905.869 where: short stacking energy: -403.259 Base-Backbone interact. energy: -1.393 local terms energy: -559.359027 where: bonds (distance) C4'-P energy: -122.621 bonds (distance) P-C4' energy: -148.081 flat angles C4'-P-C4' energy: -124.357 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: -81.351 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: 9 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1261.728077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.728077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.728077 (E_RNA) where: Base-Base interactions energy: -771.035 where: short stacking energy: -330.757 Base-Backbone interact. energy: -1.938 local terms energy: -488.755129 where: bonds (distance) C4'-P energy: -111.186 bonds (distance) P-C4' energy: -131.010 flat angles C4'-P-C4' energy: -120.952 flat angles P-C4'-P energy: -74.116 tors. eta vs tors. theta energy: -51.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -767.534657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.534657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.534657 (E_RNA) where: Base-Base interactions energy: -358.849 where: short stacking energy: -239.878 Base-Backbone interact. energy: 4.268 local terms energy: -412.954173 where: bonds (distance) C4'-P energy: -120.584 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -115.479 flat angles P-C4'-P energy: -80.200 tors. eta vs tors. theta energy: 11.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -616.284865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.284865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.284865 (E_RNA) where: Base-Base interactions energy: -214.367 where: short stacking energy: -136.954 Base-Backbone interact. energy: -0.833 local terms energy: -401.084149 where: bonds (distance) C4'-P energy: -134.545 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -71.292 tors. eta vs tors. theta energy: 23.998 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2620.663182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.663182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.663182 (E_RNA) where: Base-Base interactions energy: -1802.709 where: short stacking energy: -752.081 Base-Backbone interact. energy: -2.531 local terms energy: -815.423985 where: bonds (distance) C4'-P energy: -151.360 bonds (distance) P-C4' energy: -160.007 flat angles C4'-P-C4' energy: -169.063 flat angles P-C4'-P energy: -114.978 tors. eta vs tors. theta energy: -220.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2432.296458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.296458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.296458 (E_RNA) where: Base-Base interactions energy: -1616.632 where: short stacking energy: -721.123 Base-Backbone interact. energy: 1.642 local terms energy: -817.305957 where: bonds (distance) C4'-P energy: -152.954 bonds (distance) P-C4' energy: -159.686 flat angles C4'-P-C4' energy: -166.967 flat angles P-C4'-P energy: -113.556 tors. eta vs tors. theta energy: -224.143 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: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2392.749217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.749217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.749217 (E_RNA) where: Base-Base interactions energy: -1624.234 where: short stacking energy: -702.983 Base-Backbone interact. energy: 2.528 local terms energy: -771.043671 where: bonds (distance) C4'-P energy: -142.250 bonds (distance) P-C4' energy: -159.846 flat angles C4'-P-C4' energy: -173.482 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -204.272 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: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2175.187728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.187728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.187728 (E_RNA) where: Base-Base interactions energy: -1462.214 where: short stacking energy: -626.928 Base-Backbone interact. energy: -0.723 local terms energy: -712.251121 where: bonds (distance) C4'-P energy: -141.220 bonds (distance) P-C4' energy: -147.927 flat angles C4'-P-C4' energy: -146.649 flat angles P-C4'-P energy: -95.333 tors. eta vs tors. theta energy: -181.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2106.304284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.304284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.304284 (E_RNA) where: Base-Base interactions energy: -1423.896 where: short stacking energy: -597.996 Base-Backbone interact. energy: -2.684 local terms energy: -679.723497 where: bonds (distance) C4'-P energy: -120.084 bonds (distance) P-C4' energy: -152.144 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -93.276 tors. eta vs tors. theta energy: -164.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1878.776394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.776394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.776394 (E_RNA) where: Base-Base interactions energy: -1224.044 where: short stacking energy: -533.738 Base-Backbone interact. energy: -1.948 local terms energy: -652.783638 where: bonds (distance) C4'-P energy: -141.713 bonds (distance) P-C4' energy: -126.281 flat angles C4'-P-C4' energy: -145.885 flat angles P-C4'-P energy: -103.240 tors. eta vs tors. theta energy: -135.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1427.681899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.681899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.681899 (E_RNA) where: Base-Base interactions energy: -848.508 where: short stacking energy: -385.409 Base-Backbone interact. energy: 1.167 local terms energy: -580.340764 where: bonds (distance) C4'-P energy: -132.655 bonds (distance) P-C4' energy: -136.421 flat angles C4'-P-C4' energy: -144.711 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -74.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1299.492850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.492850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.492850 (E_RNA) where: Base-Base interactions energy: -768.274 where: short stacking energy: -367.937 Base-Backbone interact. energy: -2.471 local terms energy: -528.748262 where: bonds (distance) C4'-P energy: -129.085 bonds (distance) P-C4' energy: -118.546 flat angles C4'-P-C4' energy: -121.614 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -74.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -756.949558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.949558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.949558 (E_RNA) where: Base-Base interactions energy: -318.813 where: short stacking energy: -186.499 Base-Backbone interact. energy: 0.299 local terms energy: -438.435754 where: bonds (distance) C4'-P energy: -114.450 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -76.185 tors. eta vs tors. theta energy: 4.431 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: 171 Temperature: 1.350000 Total energy: -559.936615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.936615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.936615 (E_RNA) where: Base-Base interactions energy: -181.751 where: short stacking energy: -144.690 Base-Backbone interact. energy: -1.105 local terms energy: -377.080719 where: bonds (distance) C4'-P energy: -105.914 bonds (distance) P-C4' energy: -115.610 flat angles C4'-P-C4' energy: -100.592 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: 25.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2611.869672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.869672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.869672 (E_RNA) where: Base-Base interactions energy: -1787.774 where: short stacking energy: -747.661 Base-Backbone interact. energy: -4.657 local terms energy: -819.438351 where: bonds (distance) C4'-P energy: -154.019 bonds (distance) P-C4' energy: -158.597 flat angles C4'-P-C4' energy: -161.373 flat angles P-C4'-P energy: -116.088 tors. eta vs tors. theta energy: -229.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2418.501914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.501914 (E_RNA) where: Base-Base interactions energy: -1647.293 where: short stacking energy: -712.353 Base-Backbone interact. energy: -3.827 local terms energy: -767.382761 where: bonds (distance) C4'-P energy: -136.115 bonds (distance) P-C4' energy: -140.094 flat angles C4'-P-C4' energy: -163.416 flat angles P-C4'-P energy: -104.665 tors. eta vs tors. theta energy: -223.092 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2386.266491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.266491 (E_RNA) where: Base-Base interactions energy: -1649.911 where: short stacking energy: -674.416 Base-Backbone interact. energy: -1.150 local terms energy: -735.204645 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -96.594 tors. eta vs tors. theta energy: -194.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2168.185149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.185149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.185149 (E_RNA) where: Base-Base interactions energy: -1464.741 where: short stacking energy: -650.499 Base-Backbone interact. energy: -3.303 local terms energy: -700.141158 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -163.256 flat angles P-C4'-P energy: -93.450 tors. eta vs tors. theta energy: -180.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2121.555691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.555691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.555691 (E_RNA) where: Base-Base interactions energy: -1406.414 where: short stacking energy: -591.103 Base-Backbone interact. energy: -1.680 local terms energy: -713.462396 where: bonds (distance) C4'-P energy: -146.896 bonds (distance) P-C4' energy: -132.043 flat angles C4'-P-C4' energy: -157.655 flat angles P-C4'-P energy: -108.449 tors. eta vs tors. theta energy: -168.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1870.321091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.321091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.321091 (E_RNA) where: Base-Base interactions energy: -1244.646 where: short stacking energy: -514.035 Base-Backbone interact. energy: -2.512 local terms energy: -623.163340 where: bonds (distance) C4'-P energy: -123.401 bonds (distance) P-C4' energy: -131.841 flat angles C4'-P-C4' energy: -139.103 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -151.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1435.476898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.476898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.476898 (E_RNA) where: Base-Base interactions energy: -866.957 where: short stacking energy: -376.124 Base-Backbone interact. energy: -2.349 local terms energy: -566.171299 where: bonds (distance) C4'-P energy: -117.450 bonds (distance) P-C4' energy: -150.700 flat angles C4'-P-C4' energy: -132.472 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -73.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1296.145530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.145530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.145530 (E_RNA) where: Base-Base interactions energy: -779.361 where: short stacking energy: -362.957 Base-Backbone interact. energy: -2.012 local terms energy: -514.772225 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -123.719 flat angles C4'-P-C4' energy: -130.798 flat angles P-C4'-P energy: -63.472 tors. eta vs tors. theta energy: -74.291 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: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -614.977232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.977232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.977232 (E_RNA) where: Base-Base interactions energy: -226.154 where: short stacking energy: -161.692 Base-Backbone interact. energy: 0.184 local terms energy: -389.007387 where: bonds (distance) C4'-P energy: -109.540 bonds (distance) P-C4' energy: -132.921 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -77.565 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: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -710.617028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.617028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.617028 (E_RNA) where: Base-Base interactions energy: -320.398 where: short stacking energy: -197.534 Base-Backbone interact. energy: 0.272 local terms energy: -390.490573 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -139.817 flat angles C4'-P-C4' energy: -89.094 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: 9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2639.617659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.617659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.617659 (E_RNA) where: Base-Base interactions energy: -1812.502 where: short stacking energy: -757.359 Base-Backbone interact. energy: -0.928 local terms energy: -826.187806 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -154.944 flat angles C4'-P-C4' energy: -178.758 flat angles P-C4'-P energy: -120.064 tors. eta vs tors. theta energy: -228.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2462.106513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.106513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.106513 (E_RNA) where: Base-Base interactions energy: -1687.513 where: short stacking energy: -729.357 Base-Backbone interact. energy: -3.133 local terms energy: -771.460419 where: bonds (distance) C4'-P energy: -140.191 bonds (distance) P-C4' energy: -137.344 flat angles C4'-P-C4' energy: -162.143 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -219.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2389.013673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.013673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.013673 (E_RNA) where: Base-Base interactions energy: -1626.433 where: short stacking energy: -682.886 Base-Backbone interact. energy: -2.421 local terms energy: -760.159492 where: bonds (distance) C4'-P energy: -131.459 bonds (distance) P-C4' energy: -153.546 flat angles C4'-P-C4' energy: -154.576 flat angles P-C4'-P energy: -111.307 tors. eta vs tors. theta energy: -209.272 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2152.048686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.048686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.048686 (E_RNA) where: Base-Base interactions energy: -1416.049 where: short stacking energy: -609.080 Base-Backbone interact. energy: 0.055 local terms energy: -736.054492 where: bonds (distance) C4'-P energy: -141.780 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -168.114 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -178.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2017.365843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.365843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.365843 (E_RNA) where: Base-Base interactions energy: -1348.962 where: short stacking energy: -592.151 Base-Backbone interact. energy: -1.028 local terms energy: -667.376279 where: bonds (distance) C4'-P energy: -124.353 bonds (distance) P-C4' energy: -128.342 flat angles C4'-P-C4' energy: -146.265 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -160.877 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: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1858.765662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.765662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.765662 (E_RNA) where: Base-Base interactions energy: -1227.578 where: short stacking energy: -545.512 Base-Backbone interact. energy: 2.654 local terms energy: -633.841546 where: bonds (distance) C4'-P energy: -136.543 bonds (distance) P-C4' energy: -137.086 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -144.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1495.014544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.014544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.014544 (E_RNA) where: Base-Base interactions energy: -929.307 where: short stacking energy: -426.349 Base-Backbone interact. energy: 0.936 local terms energy: -566.643391 where: bonds (distance) C4'-P energy: -123.912 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -76.873 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: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1236.830411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.830411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.830411 (E_RNA) where: Base-Base interactions energy: -760.539 where: short stacking energy: -340.151 Base-Backbone interact. energy: -3.548 local terms energy: -472.743188 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -114.504 flat angles C4'-P-C4' energy: -138.625 flat angles P-C4'-P energy: -68.834 tors. eta vs tors. theta energy: -44.969 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: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -620.217846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.217846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.217846 (E_RNA) where: Base-Base interactions energy: -232.776 where: short stacking energy: -199.525 Base-Backbone interact. energy: -1.595 local terms energy: -385.846944 where: bonds (distance) C4'-P energy: -99.375 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -95.893 flat angles P-C4'-P energy: -55.205 tors. eta vs tors. theta energy: -5.816 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: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -727.693506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.693506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.693506 (E_RNA) where: Base-Base interactions energy: -343.128 where: short stacking energy: -191.015 Base-Backbone interact. energy: -0.841 local terms energy: -383.724102 where: bonds (distance) C4'-P energy: -131.279 bonds (distance) P-C4' energy: -120.128 flat angles C4'-P-C4' energy: -92.447 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: 36.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2637.961831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.961831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.961831 (E_RNA) where: Base-Base interactions energy: -1840.247 where: short stacking energy: -738.740 Base-Backbone interact. energy: -1.339 local terms energy: -796.375309 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -134.946 flat angles C4'-P-C4' energy: -175.294 flat angles P-C4'-P energy: -111.783 tors. eta vs tors. theta energy: -224.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2452.797133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.797133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.797133 (E_RNA) where: Base-Base interactions energy: -1679.218 where: short stacking energy: -746.940 Base-Backbone interact. energy: -0.349 local terms energy: -773.230853 where: bonds (distance) C4'-P energy: -135.901 bonds (distance) P-C4' energy: -141.985 flat angles C4'-P-C4' energy: -169.205 flat angles P-C4'-P energy: -101.179 tors. eta vs tors. theta energy: -224.961 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: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2366.830396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.830396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.830396 (E_RNA) where: Base-Base interactions energy: -1617.560 where: short stacking energy: -674.952 Base-Backbone interact. energy: -2.768 local terms energy: -746.502395 where: bonds (distance) C4'-P energy: -147.221 bonds (distance) P-C4' energy: -138.858 flat angles C4'-P-C4' energy: -171.281 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: -202.278 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: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2257.024187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.024187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.024187 (E_RNA) where: Base-Base interactions energy: -1526.744 where: short stacking energy: -628.530 Base-Backbone interact. energy: 1.601 local terms energy: -731.881215 where: bonds (distance) C4'-P energy: -121.486 bonds (distance) P-C4' energy: -135.573 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -206.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2068.121705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.121705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.121705 (E_RNA) where: Base-Base interactions energy: -1376.131 where: short stacking energy: -581.725 Base-Backbone interact. energy: -1.918 local terms energy: -690.073258 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -145.339 flat angles C4'-P-C4' energy: -157.423 flat angles P-C4'-P energy: -105.361 tors. eta vs tors. theta energy: -154.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1919.488589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.488589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.488589 (E_RNA) where: Base-Base interactions energy: -1279.496 where: short stacking energy: -544.898 Base-Backbone interact. energy: -1.593 local terms energy: -638.399428 where: bonds (distance) C4'-P energy: -124.651 bonds (distance) P-C4' energy: -134.395 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -152.210 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: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1470.049549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.049549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.049549 (E_RNA) where: Base-Base interactions energy: -892.244 where: short stacking energy: -387.589 Base-Backbone interact. energy: 0.029 local terms energy: -577.835018 where: bonds (distance) C4'-P energy: -138.203 bonds (distance) P-C4' energy: -131.088 flat angles C4'-P-C4' energy: -133.298 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -80.412 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: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1278.433004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.433004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.433004 (E_RNA) where: Base-Base interactions energy: -794.337 where: short stacking energy: -356.656 Base-Backbone interact. energy: 2.340 local terms energy: -486.436643 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -117.072 flat angles C4'-P-C4' energy: -129.091 flat angles P-C4'-P energy: -75.812 tors. eta vs tors. theta energy: -53.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -813.633399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.633399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.633399 (E_RNA) where: Base-Base interactions energy: -355.367 where: short stacking energy: -208.636 Base-Backbone interact. energy: 2.559 local terms energy: -460.825444 where: bonds (distance) C4'-P energy: -131.813 bonds (distance) P-C4' energy: -125.733 flat angles C4'-P-C4' energy: -123.781 flat angles P-C4'-P energy: -74.500 tors. eta vs tors. theta energy: -4.999 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: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -556.644596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.644596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.644596 (E_RNA) where: Base-Base interactions energy: -194.191 where: short stacking energy: -124.328 Base-Backbone interact. energy: 3.051 local terms energy: -365.503862 where: bonds (distance) C4'-P energy: -112.094 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -85.973 flat angles P-C4'-P energy: -67.619 tors. eta vs tors. theta energy: 33.498 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2638.342727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.342727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.342727 (E_RNA) where: Base-Base interactions energy: -1846.123 where: short stacking energy: -745.985 Base-Backbone interact. energy: -3.404 local terms energy: -788.815351 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -152.203 flat angles P-C4'-P energy: -116.925 tors. eta vs tors. theta energy: -223.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2439.921019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.921019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.921019 (E_RNA) where: Base-Base interactions energy: -1643.321 where: short stacking energy: -697.482 Base-Backbone interact. energy: -3.283 local terms energy: -793.317052 where: bonds (distance) C4'-P energy: -150.652 bonds (distance) P-C4' energy: -134.514 flat angles C4'-P-C4' energy: -173.798 flat angles P-C4'-P energy: -110.393 tors. eta vs tors. theta energy: -223.960 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: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2376.574061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.574061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.574061 (E_RNA) where: Base-Base interactions energy: -1633.673 where: short stacking energy: -665.124 Base-Backbone interact. energy: -0.260 local terms energy: -742.641086 where: bonds (distance) C4'-P energy: -158.689 bonds (distance) P-C4' energy: -148.996 flat angles C4'-P-C4' energy: -145.989 flat angles P-C4'-P energy: -92.648 tors. eta vs tors. theta energy: -196.320 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2301.918562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.918562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.918562 (E_RNA) where: Base-Base interactions energy: -1558.158 where: short stacking energy: -668.536 Base-Backbone interact. energy: -1.046 local terms energy: -742.715201 where: bonds (distance) C4'-P energy: -144.554 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -169.045 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -192.337 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: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2069.757600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.757600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.757600 (E_RNA) where: Base-Base interactions energy: -1441.369 where: short stacking energy: -579.326 Base-Backbone interact. energy: -3.022 local terms energy: -625.367208 where: bonds (distance) C4'-P energy: -110.232 bonds (distance) P-C4' energy: -142.433 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -93.744 tors. eta vs tors. theta energy: -136.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1895.845373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.845373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.845373 (E_RNA) where: Base-Base interactions energy: -1268.542 where: short stacking energy: -562.483 Base-Backbone interact. energy: -0.579 local terms energy: -626.723975 where: bonds (distance) C4'-P energy: -118.129 bonds (distance) P-C4' energy: -131.972 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -144.806 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: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1489.969072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.969072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.969072 (E_RNA) where: Base-Base interactions energy: -900.629 where: short stacking energy: -422.334 Base-Backbone interact. energy: 0.906 local terms energy: -590.246348 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -149.914 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -91.921 tors. eta vs tors. theta energy: -90.735 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: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1299.224211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.224211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.224211 (E_RNA) where: Base-Base interactions energy: -777.880 where: short stacking energy: -365.073 Base-Backbone interact. energy: 0.288 local terms energy: -521.632626 where: bonds (distance) C4'-P energy: -113.091 bonds (distance) P-C4' energy: -134.290 flat angles C4'-P-C4' energy: -113.283 flat angles P-C4'-P energy: -94.923 tors. eta vs tors. theta energy: -66.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -768.571775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.571775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.571775 (E_RNA) where: Base-Base interactions energy: -373.641 where: short stacking energy: -207.124 Base-Backbone interact. energy: -1.241 local terms energy: -393.690641 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -128.411 flat angles C4'-P-C4' energy: -124.808 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: 17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -596.699341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.699341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.699341 (E_RNA) where: Base-Base interactions energy: -223.273 where: short stacking energy: -154.655 Base-Backbone interact. energy: -2.518 local terms energy: -370.908920 where: bonds (distance) C4'-P energy: -111.330 bonds (distance) P-C4' energy: -129.654 flat angles C4'-P-C4' energy: -102.462 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: 33.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2639.000622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.000622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.000622 (E_RNA) where: Base-Base interactions energy: -1821.457 where: short stacking energy: -760.413 Base-Backbone interact. energy: 2.709 local terms energy: -820.253306 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -151.625 flat angles C4'-P-C4' energy: -176.117 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -227.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2424.327305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.327305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.327305 (E_RNA) where: Base-Base interactions energy: -1643.288 where: short stacking energy: -693.183 Base-Backbone interact. energy: -6.022 local terms energy: -775.017446 where: bonds (distance) C4'-P energy: -144.608 bonds (distance) P-C4' energy: -143.021 flat angles C4'-P-C4' energy: -167.334 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -208.898 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: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2375.193559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.193559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.193559 (E_RNA) where: Base-Base interactions energy: -1594.892 where: short stacking energy: -657.878 Base-Backbone interact. energy: -0.317 local terms energy: -779.984570 where: bonds (distance) C4'-P energy: -145.340 bonds (distance) P-C4' energy: -164.408 flat angles C4'-P-C4' energy: -163.689 flat angles P-C4'-P energy: -115.662 tors. eta vs tors. theta energy: -190.885 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: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2259.078565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.078565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.078565 (E_RNA) where: Base-Base interactions energy: -1551.716 where: short stacking energy: -655.303 Base-Backbone interact. energy: -2.022 local terms energy: -705.340593 where: bonds (distance) C4'-P energy: -108.785 bonds (distance) P-C4' energy: -129.518 flat angles C4'-P-C4' energy: -166.821 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -202.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2064.821142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.821142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.821142 (E_RNA) where: Base-Base interactions energy: -1386.700 where: short stacking energy: -599.871 Base-Backbone interact. energy: -0.242 local terms energy: -677.879200 where: bonds (distance) C4'-P energy: -139.368 bonds (distance) P-C4' energy: -121.748 flat angles C4'-P-C4' energy: -144.763 flat angles P-C4'-P energy: -97.866 tors. eta vs tors. theta energy: -174.134 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: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1887.319258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.319258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.319258 (E_RNA) where: Base-Base interactions energy: -1249.007 where: short stacking energy: -528.540 Base-Backbone interact. energy: -0.459 local terms energy: -637.853738 where: bonds (distance) C4'-P energy: -131.561 bonds (distance) P-C4' energy: -131.480 flat angles C4'-P-C4' energy: -134.771 flat angles P-C4'-P energy: -94.711 tors. eta vs tors. theta energy: -145.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1525.154146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.154146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.154146 (E_RNA) where: Base-Base interactions energy: -973.864 where: short stacking energy: -450.803 Base-Backbone interact. energy: -1.418 local terms energy: -549.871809 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -126.955 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -105.667 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: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1328.641363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.641363 (E_RNA) where: Base-Base interactions energy: -804.489 where: short stacking energy: -375.914 Base-Backbone interact. energy: 4.595 local terms energy: -528.747008 where: bonds (distance) C4'-P energy: -116.969 bonds (distance) P-C4' energy: -128.561 flat angles C4'-P-C4' energy: -147.446 flat angles P-C4'-P energy: -74.609 tors. eta vs tors. theta energy: -61.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -765.172981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.172981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.172981 (E_RNA) where: Base-Base interactions energy: -349.285 where: short stacking energy: -199.995 Base-Backbone interact. energy: -0.927 local terms energy: -414.961237 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -134.064 flat angles C4'-P-C4' energy: -94.624 flat angles P-C4'-P energy: -64.602 tors. eta vs tors. theta energy: 14.007 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: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -584.543327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.543327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.543327 (E_RNA) where: Base-Base interactions energy: -183.463 where: short stacking energy: -167.704 Base-Backbone interact. energy: 0.120 local terms energy: -401.200297 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -113.587 flat angles C4'-P-C4' energy: -134.166 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: 11.818 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2621.684993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.684993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.684993 (E_RNA) where: Base-Base interactions energy: -1804.291 where: short stacking energy: -735.269 Base-Backbone interact. energy: -3.571 local terms energy: -813.822678 where: bonds (distance) C4'-P energy: -147.243 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -163.019 flat angles P-C4'-P energy: -127.662 tors. eta vs tors. theta energy: -223.968 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: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2458.207744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.207744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.207744 (E_RNA) where: Base-Base interactions energy: -1626.189 where: short stacking energy: -704.632 Base-Backbone interact. energy: -4.572 local terms energy: -827.446165 where: bonds (distance) C4'-P energy: -151.399 bonds (distance) P-C4' energy: -157.728 flat angles C4'-P-C4' energy: -184.320 flat angles P-C4'-P energy: -118.884 tors. eta vs tors. theta energy: -215.115 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: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2331.227264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.227264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.227264 (E_RNA) where: Base-Base interactions energy: -1585.868 where: short stacking energy: -666.974 Base-Backbone interact. energy: -4.369 local terms energy: -740.990252 where: bonds (distance) C4'-P energy: -141.810 bonds (distance) P-C4' energy: -149.142 flat angles C4'-P-C4' energy: -161.146 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -190.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2263.336906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.336906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.336906 (E_RNA) where: Base-Base interactions energy: -1529.813 where: short stacking energy: -654.999 Base-Backbone interact. energy: -1.212 local terms energy: -732.311888 where: bonds (distance) C4'-P energy: -134.071 bonds (distance) P-C4' energy: -151.874 flat angles C4'-P-C4' energy: -161.392 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -203.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1996.844934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.844934 (E_RNA) where: Base-Base interactions energy: -1332.150 where: short stacking energy: -556.399 Base-Backbone interact. energy: 1.289 local terms energy: -665.983071 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -119.250 flat angles C4'-P-C4' energy: -150.791 flat angles P-C4'-P energy: -114.771 tors. eta vs tors. theta energy: -150.281 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: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1903.445860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.445860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.445860 (E_RNA) where: Base-Base interactions energy: -1231.480 where: short stacking energy: -550.114 Base-Backbone interact. energy: -4.372 local terms energy: -667.594281 where: bonds (distance) C4'-P energy: -140.850 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -148.258 flat angles P-C4'-P energy: -91.269 tors. eta vs tors. theta energy: -150.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1496.951014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.951014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.951014 (E_RNA) where: Base-Base interactions energy: -926.509 where: short stacking energy: -452.337 Base-Backbone interact. energy: 1.450 local terms energy: -571.892555 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -127.275 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -88.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1248.638914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.638914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.638914 (E_RNA) where: Base-Base interactions energy: -739.412 where: short stacking energy: -347.906 Base-Backbone interact. energy: -2.702 local terms energy: -506.524605 where: bonds (distance) C4'-P energy: -116.539 bonds (distance) P-C4' energy: -135.783 flat angles C4'-P-C4' energy: -124.959 flat angles P-C4'-P energy: -90.660 tors. eta vs tors. theta energy: -38.584 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -789.146465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.146465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.146465 (E_RNA) where: Base-Base interactions energy: -378.309 where: short stacking energy: -231.350 Base-Backbone interact. energy: 2.455 local terms energy: -413.292673 where: bonds (distance) C4'-P energy: -106.012 bonds (distance) P-C4' energy: -120.940 flat angles C4'-P-C4' energy: -118.945 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -540.949360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.949360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.949360 (E_RNA) where: Base-Base interactions energy: -187.727 where: short stacking energy: -144.813 Base-Backbone interact. energy: 1.359 local terms energy: -354.580996 where: bonds (distance) C4'-P energy: -113.164 bonds (distance) P-C4' energy: -126.241 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: 26.414 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2640.874378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.874378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.874378 (E_RNA) where: Base-Base interactions energy: -1828.594 where: short stacking energy: -745.231 Base-Backbone interact. energy: -1.260 local terms energy: -811.019920 where: bonds (distance) C4'-P energy: -153.563 bonds (distance) P-C4' energy: -148.598 flat angles C4'-P-C4' energy: -169.492 flat angles P-C4'-P energy: -116.964 tors. eta vs tors. theta energy: -222.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2469.613905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.613905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.613905 (E_RNA) where: Base-Base interactions energy: -1674.874 where: short stacking energy: -735.071 Base-Backbone interact. energy: -2.701 local terms energy: -792.038617 where: bonds (distance) C4'-P energy: -154.563 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -154.770 flat angles P-C4'-P energy: -109.735 tors. eta vs tors. theta energy: -231.587 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: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2379.031930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.031930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.031930 (E_RNA) where: Base-Base interactions energy: -1629.926 where: short stacking energy: -706.282 Base-Backbone interact. energy: -1.510 local terms energy: -747.595229 where: bonds (distance) C4'-P energy: -129.728 bonds (distance) P-C4' energy: -154.617 flat angles C4'-P-C4' energy: -162.510 flat angles P-C4'-P energy: -99.510 tors. eta vs tors. theta energy: -201.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2324.202554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.202554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.202554 (E_RNA) where: Base-Base interactions energy: -1576.797 where: short stacking energy: -671.880 Base-Backbone interact. energy: 1.215 local terms energy: -748.620084 where: bonds (distance) C4'-P energy: -136.957 bonds (distance) P-C4' energy: -149.466 flat angles C4'-P-C4' energy: -168.971 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -184.719 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: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2080.491361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.491361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.491361 (E_RNA) where: Base-Base interactions energy: -1388.365 where: short stacking energy: -582.845 Base-Backbone interact. energy: -3.647 local terms energy: -688.478930 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -156.221 flat angles P-C4'-P energy: -94.727 tors. eta vs tors. theta energy: -171.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1868.805427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.805427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.805427 (E_RNA) where: Base-Base interactions energy: -1209.774 where: short stacking energy: -515.480 Base-Backbone interact. energy: -1.496 local terms energy: -657.535426 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -138.733 flat angles C4'-P-C4' energy: -153.653 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -131.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1455.531613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.531613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.531613 (E_RNA) where: Base-Base interactions energy: -919.991 where: short stacking energy: -410.097 Base-Backbone interact. energy: -3.394 local terms energy: -532.146710 where: bonds (distance) C4'-P energy: -137.307 bonds (distance) P-C4' energy: -132.500 flat angles C4'-P-C4' energy: -123.773 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -70.808 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: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1276.301413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.301413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.301413 (E_RNA) where: Base-Base interactions energy: -750.770 where: short stacking energy: -354.655 Base-Backbone interact. energy: 3.252 local terms energy: -528.782740 where: bonds (distance) C4'-P energy: -122.267 bonds (distance) P-C4' energy: -124.461 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -72.526 tors. eta vs tors. theta energy: -79.936 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: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -766.026859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.026859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.026859 (E_RNA) where: Base-Base interactions energy: -362.156 where: short stacking energy: -222.395 Base-Backbone interact. energy: 3.871 local terms energy: -407.741865 where: bonds (distance) C4'-P energy: -124.353 bonds (distance) P-C4' energy: -120.036 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -76.379 tors. eta vs tors. theta energy: 7.278 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: 178 Temperature: 1.350000 Total energy: -567.145815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.145815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.145815 (E_RNA) where: Base-Base interactions energy: -197.484 where: short stacking energy: -150.779 Base-Backbone interact. energy: 0.878 local terms energy: -370.539818 where: bonds (distance) C4'-P energy: -115.622 bonds (distance) P-C4' energy: -131.554 flat angles C4'-P-C4' energy: -106.252 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: 45.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2624.511635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.511635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.511635 (E_RNA) where: Base-Base interactions energy: -1809.990 where: short stacking energy: -756.571 Base-Backbone interact. energy: 0.629 local terms energy: -815.150311 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -167.957 flat angles P-C4'-P energy: -105.942 tors. eta vs tors. theta energy: -239.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2437.748989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.748989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.748989 (E_RNA) where: Base-Base interactions energy: -1618.016 where: short stacking energy: -714.813 Base-Backbone interact. energy: -4.677 local terms energy: -815.055038 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -160.876 flat angles C4'-P-C4' energy: -174.904 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -219.679 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: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2343.637427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.637427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.637427 (E_RNA) where: Base-Base interactions energy: -1623.356 where: short stacking energy: -675.741 Base-Backbone interact. energy: -3.123 local terms energy: -717.158142 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -149.458 flat angles P-C4'-P energy: -96.861 tors. eta vs tors. theta energy: -196.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2341.856594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.856594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.856594 (E_RNA) where: Base-Base interactions energy: -1593.294 where: short stacking energy: -652.803 Base-Backbone interact. energy: -7.979 local terms energy: -740.583543 where: bonds (distance) C4'-P energy: -138.073 bonds (distance) P-C4' energy: -143.526 flat angles C4'-P-C4' energy: -156.571 flat angles P-C4'-P energy: -104.648 tors. eta vs tors. theta energy: -197.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2011.757069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.757069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.757069 (E_RNA) where: Base-Base interactions energy: -1338.356 where: short stacking energy: -590.163 Base-Backbone interact. energy: 1.843 local terms energy: -675.244472 where: bonds (distance) C4'-P energy: -135.399 bonds (distance) P-C4' energy: -137.672 flat angles C4'-P-C4' energy: -146.614 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -165.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1853.062650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.062650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.062650 (E_RNA) where: Base-Base interactions energy: -1215.581 where: short stacking energy: -535.830 Base-Backbone interact. energy: 4.206 local terms energy: -641.687458 where: bonds (distance) C4'-P energy: -134.694 bonds (distance) P-C4' energy: -137.332 flat angles C4'-P-C4' energy: -145.881 flat angles P-C4'-P energy: -91.903 tors. eta vs tors. theta energy: -131.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1487.305235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.305235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.305235 (E_RNA) where: Base-Base interactions energy: -920.041 where: short stacking energy: -415.332 Base-Backbone interact. energy: -3.311 local terms energy: -563.953638 where: bonds (distance) C4'-P energy: -137.766 bonds (distance) P-C4' energy: -126.640 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -94.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1350.190050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.190050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.190050 (E_RNA) where: Base-Base interactions energy: -808.300 where: short stacking energy: -360.634 Base-Backbone interact. energy: -2.156 local terms energy: -539.734300 where: bonds (distance) C4'-P energy: -135.154 bonds (distance) P-C4' energy: -127.505 flat angles C4'-P-C4' energy: -135.309 flat angles P-C4'-P energy: -72.337 tors. eta vs tors. theta energy: -69.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -681.653124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.653124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.653124 (E_RNA) where: Base-Base interactions energy: -289.258 where: short stacking energy: -182.554 Base-Backbone interact. energy: -0.112 local terms energy: -392.282564 where: bonds (distance) C4'-P energy: -121.802 bonds (distance) P-C4' energy: -142.018 flat angles C4'-P-C4' energy: -107.877 flat angles P-C4'-P energy: -42.512 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: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -545.023093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.023093 (E_RNA) where: Base-Base interactions energy: -168.295 where: short stacking energy: -114.796 Base-Backbone interact. energy: 1.033 local terms energy: -377.761068 where: bonds (distance) C4'-P energy: -114.695 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -84.852 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: 24.288 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: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2627.756842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.756842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.756842 (E_RNA) where: Base-Base interactions energy: -1785.623 where: short stacking energy: -754.872 Base-Backbone interact. energy: 2.006 local terms energy: -844.139901 where: bonds (distance) C4'-P energy: -147.294 bonds (distance) P-C4' energy: -165.649 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -107.989 tors. eta vs tors. theta energy: -239.597 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: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2442.379776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.379776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.379776 (E_RNA) where: Base-Base interactions energy: -1626.659 where: short stacking energy: -700.893 Base-Backbone interact. energy: -2.458 local terms energy: -813.262282 where: bonds (distance) C4'-P energy: -140.962 bonds (distance) P-C4' energy: -159.705 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -110.123 tors. eta vs tors. theta energy: -222.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2365.438065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.438065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.438065 (E_RNA) where: Base-Base interactions energy: -1641.607 where: short stacking energy: -687.512 Base-Backbone interact. energy: -3.175 local terms energy: -720.655594 where: bonds (distance) C4'-P energy: -133.330 bonds (distance) P-C4' energy: -132.799 flat angles C4'-P-C4' energy: -164.841 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: -203.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2266.182645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.182645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.182645 (E_RNA) where: Base-Base interactions energy: -1546.597 where: short stacking energy: -639.091 Base-Backbone interact. energy: -3.316 local terms energy: -716.269623 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -132.182 flat angles C4'-P-C4' energy: -167.285 flat angles P-C4'-P energy: -100.517 tors. eta vs tors. theta energy: -181.905 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: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1993.337477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.337477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.337477 (E_RNA) where: Base-Base interactions energy: -1327.090 where: short stacking energy: -574.865 Base-Backbone interact. energy: -2.495 local terms energy: -663.752247 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -144.850 flat angles C4'-P-C4' energy: -135.746 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -155.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1909.909654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.909654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.909654 (E_RNA) where: Base-Base interactions energy: -1242.802 where: short stacking energy: -537.759 Base-Backbone interact. energy: -0.553 local terms energy: -666.554154 where: bonds (distance) C4'-P energy: -122.007 bonds (distance) P-C4' energy: -139.001 flat angles C4'-P-C4' energy: -151.829 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -156.871 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: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1476.467429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.467429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.467429 (E_RNA) where: Base-Base interactions energy: -917.617 where: short stacking energy: -413.160 Base-Backbone interact. energy: 4.951 local terms energy: -563.801492 where: bonds (distance) C4'-P energy: -127.528 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -136.442 flat angles P-C4'-P energy: -88.884 tors. eta vs tors. theta energy: -82.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1282.509023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.509023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.509023 (E_RNA) where: Base-Base interactions energy: -765.178 where: short stacking energy: -371.427 Base-Backbone interact. energy: -3.641 local terms energy: -513.690443 where: bonds (distance) C4'-P energy: -107.702 bonds (distance) P-C4' energy: -132.955 flat angles C4'-P-C4' energy: -137.867 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -65.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -762.155468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.155468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.155468 (E_RNA) where: Base-Base interactions energy: -324.503 where: short stacking energy: -206.170 Base-Backbone interact. energy: 4.012 local terms energy: -441.664978 where: bonds (distance) C4'-P energy: -121.198 bonds (distance) P-C4' energy: -142.070 flat angles C4'-P-C4' energy: -118.606 flat angles P-C4'-P energy: -67.225 tors. eta vs tors. theta energy: 7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -585.975295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.975295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.975295 (E_RNA) where: Base-Base interactions energy: -214.895 where: short stacking energy: -144.509 Base-Backbone interact. energy: -0.930 local terms energy: -370.150479 where: bonds (distance) C4'-P energy: -132.715 bonds (distance) P-C4' energy: -125.910 flat angles C4'-P-C4' energy: -95.872 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: 31.012 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2598.826032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.826032 (E_RNA) where: Base-Base interactions energy: -1786.783 where: short stacking energy: -757.360 Base-Backbone interact. energy: -4.764 local terms energy: -807.278548 where: bonds (distance) C4'-P energy: -144.061 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -171.824 flat angles P-C4'-P energy: -102.286 tors. eta vs tors. theta energy: -230.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2481.946886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.946886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.946886 (E_RNA) where: Base-Base interactions energy: -1677.584 where: short stacking energy: -752.214 Base-Backbone interact. energy: -2.301 local terms energy: -802.061957 where: bonds (distance) C4'-P energy: -137.357 bonds (distance) P-C4' energy: -157.776 flat angles C4'-P-C4' energy: -155.653 flat angles P-C4'-P energy: -118.310 tors. eta vs tors. theta energy: -232.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2413.702554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.702554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.702554 (E_RNA) where: Base-Base interactions energy: -1658.999 where: short stacking energy: -684.041 Base-Backbone interact. energy: 2.957 local terms energy: -757.661076 where: bonds (distance) C4'-P energy: -143.294 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -160.463 flat angles P-C4'-P energy: -112.346 tors. eta vs tors. theta energy: -200.325 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: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2285.671735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.671735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.671735 (E_RNA) where: Base-Base interactions energy: -1544.701 where: short stacking energy: -640.306 Base-Backbone interact. energy: -1.449 local terms energy: -739.522059 where: bonds (distance) C4'-P energy: -149.262 bonds (distance) P-C4' energy: -141.586 flat angles C4'-P-C4' energy: -158.750 flat angles P-C4'-P energy: -108.657 tors. eta vs tors. theta energy: -181.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2057.008228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.008228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.008228 (E_RNA) where: Base-Base interactions energy: -1352.701 where: short stacking energy: -566.857 Base-Backbone interact. energy: -3.307 local terms energy: -701.001116 where: bonds (distance) C4'-P energy: -143.244 bonds (distance) P-C4' energy: -136.988 flat angles C4'-P-C4' energy: -156.285 flat angles P-C4'-P energy: -100.668 tors. eta vs tors. theta energy: -163.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1886.436336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.436336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.436336 (E_RNA) where: Base-Base interactions energy: -1259.824 where: short stacking energy: -522.509 Base-Backbone interact. energy: -2.902 local terms energy: -623.710214 where: bonds (distance) C4'-P energy: -124.177 bonds (distance) P-C4' energy: -131.729 flat angles C4'-P-C4' energy: -141.804 flat angles P-C4'-P energy: -96.534 tors. eta vs tors. theta energy: -129.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1480.897512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.897512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.897512 (E_RNA) where: Base-Base interactions energy: -922.922 where: short stacking energy: -431.142 Base-Backbone interact. energy: -2.362 local terms energy: -555.612735 where: bonds (distance) C4'-P energy: -108.690 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -90.715 tors. eta vs tors. theta energy: -84.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1157.568768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.568768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.568768 (E_RNA) where: Base-Base interactions energy: -705.683 where: short stacking energy: -360.991 Base-Backbone interact. energy: -0.745 local terms energy: -451.140411 where: bonds (distance) C4'-P energy: -106.118 bonds (distance) P-C4' energy: -116.598 flat angles C4'-P-C4' energy: -105.431 flat angles P-C4'-P energy: -71.368 tors. eta vs tors. theta energy: -51.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -729.475249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.475249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.475249 (E_RNA) where: Base-Base interactions energy: -326.763 where: short stacking energy: -195.362 Base-Backbone interact. energy: 2.399 local terms energy: -405.112139 where: bonds (distance) C4'-P energy: -123.273 bonds (distance) P-C4' energy: -131.235 flat angles C4'-P-C4' energy: -105.810 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: 11.117 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: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -553.246260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.246260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.246260 (E_RNA) where: Base-Base interactions energy: -191.205 where: short stacking energy: -145.167 Base-Backbone interact. energy: 3.748 local terms energy: -365.789383 where: bonds (distance) C4'-P energy: -133.407 bonds (distance) P-C4' energy: -132.479 flat angles C4'-P-C4' energy: -102.065 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: 61.242 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2566.753063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.753063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.753063 (E_RNA) where: Base-Base interactions energy: -1753.244 where: short stacking energy: -755.493 Base-Backbone interact. energy: 4.905 local terms energy: -818.413858 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -161.603 flat angles C4'-P-C4' energy: -162.354 flat angles P-C4'-P energy: -122.700 tors. eta vs tors. theta energy: -222.091 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: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2445.751634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.751634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.751634 (E_RNA) where: Base-Base interactions energy: -1651.289 where: short stacking energy: -719.924 Base-Backbone interact. energy: 0.458 local terms energy: -794.920323 where: bonds (distance) C4'-P energy: -149.479 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -165.874 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -224.377 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: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2391.828501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.828501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.828501 (E_RNA) where: Base-Base interactions energy: -1610.695 where: short stacking energy: -710.761 Base-Backbone interact. energy: -4.715 local terms energy: -776.418328 where: bonds (distance) C4'-P energy: -135.767 bonds (distance) P-C4' energy: -151.626 flat angles C4'-P-C4' energy: -159.643 flat angles P-C4'-P energy: -115.546 tors. eta vs tors. theta energy: -213.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2259.866319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.866319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.866319 (E_RNA) where: Base-Base interactions energy: -1540.862 where: short stacking energy: -635.599 Base-Backbone interact. energy: -2.738 local terms energy: -716.267073 where: bonds (distance) C4'-P energy: -132.644 bonds (distance) P-C4' energy: -145.751 flat angles C4'-P-C4' energy: -148.031 flat angles P-C4'-P energy: -108.646 tors. eta vs tors. theta energy: -181.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2017.914929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.914929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.914929 (E_RNA) where: Base-Base interactions energy: -1364.291 where: short stacking energy: -590.879 Base-Backbone interact. energy: -5.867 local terms energy: -647.755984 where: bonds (distance) C4'-P energy: -121.082 bonds (distance) P-C4' energy: -133.015 flat angles C4'-P-C4' energy: -145.497 flat angles P-C4'-P energy: -92.113 tors. eta vs tors. theta energy: -156.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1785.028318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.028318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.028318 (E_RNA) where: Base-Base interactions energy: -1168.359 where: short stacking energy: -508.769 Base-Backbone interact. energy: 1.342 local terms energy: -618.011187 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -119.204 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -84.524 tors. eta vs tors. theta energy: -130.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1481.993740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.993740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.993740 (E_RNA) where: Base-Base interactions energy: -912.974 where: short stacking energy: -377.112 Base-Backbone interact. energy: 4.023 local terms energy: -573.043312 where: bonds (distance) C4'-P energy: -141.394 bonds (distance) P-C4' energy: -146.891 flat angles C4'-P-C4' energy: -128.526 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -86.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1153.828579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.828579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.828579 (E_RNA) where: Base-Base interactions energy: -669.987 where: short stacking energy: -332.794 Base-Backbone interact. energy: 1.566 local terms energy: -485.408205 where: bonds (distance) C4'-P energy: -128.312 bonds (distance) P-C4' energy: -110.181 flat angles C4'-P-C4' energy: -107.030 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: -56.526 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: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -791.318383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.318383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.318383 (E_RNA) where: Base-Base interactions energy: -400.852 where: short stacking energy: -232.574 Base-Backbone interact. energy: 0.797 local terms energy: -391.262920 where: bonds (distance) C4'-P energy: -126.776 bonds (distance) P-C4' energy: -125.252 flat angles C4'-P-C4' energy: -108.222 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: 9.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -586.847082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.847082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.847082 (E_RNA) where: Base-Base interactions energy: -176.423 where: short stacking energy: -154.811 Base-Backbone interact. energy: 1.645 local terms energy: -412.069007 where: bonds (distance) C4'-P energy: -139.390 bonds (distance) P-C4' energy: -135.281 flat angles C4'-P-C4' energy: -106.106 flat angles P-C4'-P energy: -67.964 tors. eta vs tors. theta energy: 36.671 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: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2610.070173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.070173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.070173 (E_RNA) where: Base-Base interactions energy: -1785.988 where: short stacking energy: -750.076 Base-Backbone interact. energy: 1.101 local terms energy: -825.183413 where: bonds (distance) C4'-P energy: -154.189 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -172.271 flat angles P-C4'-P energy: -119.157 tors. eta vs tors. theta energy: -226.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2457.874446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.874446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.874446 (E_RNA) where: Base-Base interactions energy: -1635.310 where: short stacking energy: -735.076 Base-Backbone interact. energy: -3.638 local terms energy: -818.926118 where: bonds (distance) C4'-P energy: -132.681 bonds (distance) P-C4' energy: -165.776 flat angles C4'-P-C4' energy: -162.585 flat angles P-C4'-P energy: -122.476 tors. eta vs tors. theta energy: -235.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2383.142942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.142942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.142942 (E_RNA) where: Base-Base interactions energy: -1616.303 where: short stacking energy: -675.361 Base-Backbone interact. energy: -1.643 local terms energy: -765.197671 where: bonds (distance) C4'-P energy: -141.859 bonds (distance) P-C4' energy: -152.678 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -214.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2313.902959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.902959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.902959 (E_RNA) where: Base-Base interactions energy: -1556.533 where: short stacking energy: -674.611 Base-Backbone interact. energy: 0.368 local terms energy: -757.738670 where: bonds (distance) C4'-P energy: -137.727 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -178.767 flat angles P-C4'-P energy: -98.765 tors. eta vs tors. theta energy: -198.641 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: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1994.338789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.338789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.338789 (E_RNA) where: Base-Base interactions energy: -1343.275 where: short stacking energy: -582.596 Base-Backbone interact. energy: 2.557 local terms energy: -653.620280 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -132.608 flat angles C4'-P-C4' energy: -159.976 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -134.797 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: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1832.452636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.452636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.452636 (E_RNA) where: Base-Base interactions energy: -1192.637 where: short stacking energy: -536.097 Base-Backbone interact. energy: 0.208 local terms energy: -640.023439 where: bonds (distance) C4'-P energy: -135.137 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -150.666 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -138.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1494.291981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.291981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.291981 (E_RNA) where: Base-Base interactions energy: -920.225 where: short stacking energy: -435.809 Base-Backbone interact. energy: 1.586 local terms energy: -575.653194 where: bonds (distance) C4'-P energy: -128.675 bonds (distance) P-C4' energy: -125.874 flat angles C4'-P-C4' energy: -138.736 flat angles P-C4'-P energy: -85.383 tors. eta vs tors. theta energy: -96.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1189.082210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.082210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.082210 (E_RNA) where: Base-Base interactions energy: -689.200 where: short stacking energy: -318.960 Base-Backbone interact. energy: 3.105 local terms energy: -502.987156 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -121.793 flat angles C4'-P-C4' energy: -120.221 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -53.689 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -812.430311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.430311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.430311 (E_RNA) where: Base-Base interactions energy: -384.459 where: short stacking energy: -225.047 Base-Backbone interact. energy: 6.886 local terms energy: -434.857476 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -107.303 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -1.871 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -541.646501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.646501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.646501 (E_RNA) where: Base-Base interactions energy: -170.853 where: short stacking energy: -133.678 Base-Backbone interact. energy: -0.808 local terms energy: -369.984888 where: bonds (distance) C4'-P energy: -108.373 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -94.972 flat angles P-C4'-P energy: -55.135 tors. eta vs tors. theta energy: 31.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2612.239805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.239805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.239805 (E_RNA) where: Base-Base interactions energy: -1791.875 where: short stacking energy: -756.325 Base-Backbone interact. energy: -5.056 local terms energy: -815.308745 where: bonds (distance) C4'-P energy: -147.800 bonds (distance) P-C4' energy: -160.172 flat angles C4'-P-C4' energy: -153.371 flat angles P-C4'-P energy: -121.794 tors. eta vs tors. theta energy: -232.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2445.556045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.556045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.556045 (E_RNA) where: Base-Base interactions energy: -1622.494 where: short stacking energy: -707.022 Base-Backbone interact. energy: -2.000 local terms energy: -821.062839 where: bonds (distance) C4'-P energy: -141.942 bonds (distance) P-C4' energy: -157.228 flat angles C4'-P-C4' energy: -172.214 flat angles P-C4'-P energy: -126.836 tors. eta vs tors. theta energy: -222.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2373.716975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.716975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.716975 (E_RNA) where: Base-Base interactions energy: -1610.594 where: short stacking energy: -702.144 Base-Backbone interact. energy: -0.026 local terms energy: -763.096451 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -162.912 flat angles P-C4'-P energy: -108.124 tors. eta vs tors. theta energy: -214.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2338.027441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.027441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.027441 (E_RNA) where: Base-Base interactions energy: -1553.538 where: short stacking energy: -659.619 Base-Backbone interact. energy: -3.853 local terms energy: -780.636266 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -146.071 flat angles C4'-P-C4' energy: -166.041 flat angles P-C4'-P energy: -120.285 tors. eta vs tors. theta energy: -198.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1991.364696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.364696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.364696 (E_RNA) where: Base-Base interactions energy: -1329.696 where: short stacking energy: -547.040 Base-Backbone interact. energy: 2.917 local terms energy: -664.585753 where: bonds (distance) C4'-P energy: -150.940 bonds (distance) P-C4' energy: -138.714 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -96.650 tors. eta vs tors. theta energy: -153.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1882.285633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.285633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.285633 (E_RNA) where: Base-Base interactions energy: -1263.794 where: short stacking energy: -538.013 Base-Backbone interact. energy: -3.949 local terms energy: -614.542573 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -135.454 flat angles C4'-P-C4' energy: -143.021 flat angles P-C4'-P energy: -83.744 tors. eta vs tors. theta energy: -125.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1490.744027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.744027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.744027 (E_RNA) where: Base-Base interactions energy: -953.191 where: short stacking energy: -448.083 Base-Backbone interact. energy: 2.644 local terms energy: -540.196293 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -97.963 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: -91.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1195.995094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.995094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.995094 (E_RNA) where: Base-Base interactions energy: -684.366 where: short stacking energy: -308.287 Base-Backbone interact. energy: 5.000 local terms energy: -516.628933 where: bonds (distance) C4'-P energy: -124.807 bonds (distance) P-C4' energy: -128.815 flat angles C4'-P-C4' energy: -127.010 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -49.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -838.648117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.648117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.648117 (E_RNA) where: Base-Base interactions energy: -413.985 where: short stacking energy: -235.907 Base-Backbone interact. energy: -1.418 local terms energy: -423.245083 where: bonds (distance) C4'-P energy: -98.051 bonds (distance) P-C4' energy: -123.676 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -80.552 tors. eta vs tors. theta energy: -7.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -557.353830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.353830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.353830 (E_RNA) where: Base-Base interactions energy: -196.893 where: short stacking energy: -148.392 Base-Backbone interact. energy: 1.824 local terms energy: -362.284653 where: bonds (distance) C4'-P energy: -121.428 bonds (distance) P-C4' energy: -114.863 flat angles C4'-P-C4' energy: -99.335 flat angles P-C4'-P energy: -71.014 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: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2585.620369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.620369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.620369 (E_RNA) where: Base-Base interactions energy: -1765.845 where: short stacking energy: -740.731 Base-Backbone interact. energy: -2.214 local terms energy: -817.561554 where: bonds (distance) C4'-P energy: -156.476 bonds (distance) P-C4' energy: -159.917 flat angles C4'-P-C4' energy: -166.027 flat angles P-C4'-P energy: -116.399 tors. eta vs tors. theta energy: -218.742 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: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2459.285725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.285725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.285725 (E_RNA) where: Base-Base interactions energy: -1637.266 where: short stacking energy: -721.325 Base-Backbone interact. energy: -2.223 local terms energy: -819.797217 where: bonds (distance) C4'-P energy: -148.830 bonds (distance) P-C4' energy: -149.478 flat angles C4'-P-C4' energy: -175.066 flat angles P-C4'-P energy: -120.081 tors. eta vs tors. theta energy: -226.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2376.688565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.688565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.688565 (E_RNA) where: Base-Base interactions energy: -1611.265 where: short stacking energy: -692.269 Base-Backbone interact. energy: -5.388 local terms energy: -760.035564 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -142.773 flat angles C4'-P-C4' energy: -165.193 flat angles P-C4'-P energy: -101.433 tors. eta vs tors. theta energy: -204.866 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: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2333.554550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.554550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.554550 (E_RNA) where: Base-Base interactions energy: -1597.015 where: short stacking energy: -676.179 Base-Backbone interact. energy: -1.368 local terms energy: -735.170856 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -144.439 flat angles C4'-P-C4' energy: -170.893 flat angles P-C4'-P energy: -108.245 tors. eta vs tors. theta energy: -190.528 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: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2108.228946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.228946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.228946 (E_RNA) where: Base-Base interactions energy: -1428.375 where: short stacking energy: -650.583 Base-Backbone interact. energy: -0.524 local terms energy: -679.330098 where: bonds (distance) C4'-P energy: -126.368 bonds (distance) P-C4' energy: -111.695 flat angles C4'-P-C4' energy: -145.611 flat angles P-C4'-P energy: -91.833 tors. eta vs tors. theta energy: -203.823 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: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1864.659664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.659664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.659664 (E_RNA) where: Base-Base interactions energy: -1254.494 where: short stacking energy: -525.149 Base-Backbone interact. energy: -1.097 local terms energy: -609.068514 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -150.562 flat angles C4'-P-C4' energy: -124.381 flat angles P-C4'-P energy: -85.046 tors. eta vs tors. theta energy: -124.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1477.846978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.846978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.846978 (E_RNA) where: Base-Base interactions energy: -931.599 where: short stacking energy: -417.674 Base-Backbone interact. energy: -0.497 local terms energy: -545.751005 where: bonds (distance) C4'-P energy: -121.581 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -132.531 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: -95.820 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: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1172.976704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.976704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.976704 (E_RNA) where: Base-Base interactions energy: -668.766 where: short stacking energy: -343.883 Base-Backbone interact. energy: 2.751 local terms energy: -506.961706 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -114.306 flat angles P-C4'-P energy: -99.703 tors. eta vs tors. theta energy: -44.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -766.287512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.287512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.287512 (E_RNA) where: Base-Base interactions energy: -352.305 where: short stacking energy: -198.265 Base-Backbone interact. energy: -3.859 local terms energy: -410.122982 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -128.484 flat angles C4'-P-C4' energy: -95.459 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: 24.296 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: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -536.091517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.091517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.091517 (E_RNA) where: Base-Base interactions energy: -155.283 where: short stacking energy: -119.258 Base-Backbone interact. energy: 0.107 local terms energy: -380.915336 where: bonds (distance) C4'-P energy: -130.447 bonds (distance) P-C4' energy: -134.300 flat angles C4'-P-C4' energy: -99.963 flat angles P-C4'-P energy: -51.716 tors. eta vs tors. theta energy: 35.511 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2582.439724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.439724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.439724 (E_RNA) where: Base-Base interactions energy: -1777.444 where: short stacking energy: -771.905 Base-Backbone interact. energy: -3.918 local terms energy: -801.077699 where: bonds (distance) C4'-P energy: -136.607 bonds (distance) P-C4' energy: -130.998 flat angles C4'-P-C4' energy: -174.953 flat angles P-C4'-P energy: -126.873 tors. eta vs tors. theta energy: -231.647 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: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2491.015035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.015035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.015035 (E_RNA) where: Base-Base interactions energy: -1677.807 where: short stacking energy: -739.081 Base-Backbone interact. energy: -3.193 local terms energy: -810.014978 where: bonds (distance) C4'-P energy: -134.859 bonds (distance) P-C4' energy: -156.624 flat angles C4'-P-C4' energy: -168.617 flat angles P-C4'-P energy: -113.234 tors. eta vs tors. theta energy: -236.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2376.224959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.224959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.224959 (E_RNA) where: Base-Base interactions energy: -1631.702 where: short stacking energy: -692.749 Base-Backbone interact. energy: -2.636 local terms energy: -741.887518 where: bonds (distance) C4'-P energy: -144.364 bonds (distance) P-C4' energy: -137.431 flat angles C4'-P-C4' energy: -159.804 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -198.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2292.048398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.048398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.048398 (E_RNA) where: Base-Base interactions energy: -1562.666 where: short stacking energy: -663.620 Base-Backbone interact. energy: 2.272 local terms energy: -731.654504 where: bonds (distance) C4'-P energy: -152.290 bonds (distance) P-C4' energy: -134.508 flat angles C4'-P-C4' energy: -147.910 flat angles P-C4'-P energy: -97.896 tors. eta vs tors. theta energy: -199.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2142.279630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.279630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.279630 (E_RNA) where: Base-Base interactions energy: -1433.270 where: short stacking energy: -636.929 Base-Backbone interact. energy: 0.530 local terms energy: -709.539141 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -138.644 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -82.741 tors. eta vs tors. theta energy: -185.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1841.287160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.287160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.287160 (E_RNA) where: Base-Base interactions energy: -1204.280 where: short stacking energy: -527.765 Base-Backbone interact. energy: 0.566 local terms energy: -637.573052 where: bonds (distance) C4'-P energy: -135.123 bonds (distance) P-C4' energy: -131.467 flat angles C4'-P-C4' energy: -136.344 flat angles P-C4'-P energy: -94.252 tors. eta vs tors. theta energy: -140.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1484.955129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.955129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.955129 (E_RNA) where: Base-Base interactions energy: -918.728 where: short stacking energy: -417.214 Base-Backbone interact. energy: 1.485 local terms energy: -567.711450 where: bonds (distance) C4'-P energy: -120.870 bonds (distance) P-C4' energy: -144.772 flat angles C4'-P-C4' energy: -143.259 flat angles P-C4'-P energy: -79.314 tors. eta vs tors. theta energy: -79.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1207.570029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.570029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.570029 (E_RNA) where: Base-Base interactions energy: -699.088 where: short stacking energy: -328.139 Base-Backbone interact. energy: -1.590 local terms energy: -506.892745 where: bonds (distance) C4'-P energy: -118.369 bonds (distance) P-C4' energy: -134.627 flat angles C4'-P-C4' energy: -128.249 flat angles P-C4'-P energy: -63.030 tors. eta vs tors. theta energy: -62.617 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -792.301625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.301625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.301625 (E_RNA) where: Base-Base interactions energy: -361.155 where: short stacking energy: -187.714 Base-Backbone interact. energy: -1.505 local terms energy: -429.641312 where: bonds (distance) C4'-P energy: -125.745 bonds (distance) P-C4' energy: -139.797 flat angles C4'-P-C4' energy: -102.584 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: 3.195 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: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -548.994083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.994083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.994083 (E_RNA) where: Base-Base interactions energy: -189.227 where: short stacking energy: -151.886 Base-Backbone interact. energy: 4.802 local terms energy: -364.569288 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -90.999 flat angles P-C4'-P energy: -69.007 tors. eta vs tors. theta energy: 40.555 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: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2563.688037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.688037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.688037 (E_RNA) where: Base-Base interactions energy: -1737.502 where: short stacking energy: -737.141 Base-Backbone interact. energy: -3.670 local terms energy: -822.515921 where: bonds (distance) C4'-P energy: -149.624 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -179.151 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -228.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2445.788916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.788916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.788916 (E_RNA) where: Base-Base interactions energy: -1651.558 where: short stacking energy: -737.781 Base-Backbone interact. energy: -2.836 local terms energy: -791.394825 where: bonds (distance) C4'-P energy: -137.193 bonds (distance) P-C4' energy: -143.676 flat angles C4'-P-C4' energy: -178.247 flat angles P-C4'-P energy: -101.829 tors. eta vs tors. theta energy: -230.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2388.828968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.828968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.828968 (E_RNA) where: Base-Base interactions energy: -1650.066 where: short stacking energy: -668.744 Base-Backbone interact. energy: -5.460 local terms energy: -733.302739 where: bonds (distance) C4'-P energy: -131.407 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -165.297 flat angles P-C4'-P energy: -101.905 tors. eta vs tors. theta energy: -196.242 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: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2312.417307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.417307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.417307 (E_RNA) where: Base-Base interactions energy: -1584.184 where: short stacking energy: -671.205 Base-Backbone interact. energy: -0.282 local terms energy: -727.951704 where: bonds (distance) C4'-P energy: -127.132 bonds (distance) P-C4' energy: -147.630 flat angles C4'-P-C4' energy: -145.288 flat angles P-C4'-P energy: -115.725 tors. eta vs tors. theta energy: -192.178 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: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2156.440928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.440928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.440928 (E_RNA) where: Base-Base interactions energy: -1459.069 where: short stacking energy: -626.804 Base-Backbone interact. energy: 0.534 local terms energy: -697.904976 where: bonds (distance) C4'-P energy: -136.083 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -154.684 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -173.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1848.572998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.572998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.572998 (E_RNA) where: Base-Base interactions energy: -1202.451 where: short stacking energy: -501.539 Base-Backbone interact. energy: -3.322 local terms energy: -642.799988 where: bonds (distance) C4'-P energy: -139.291 bonds (distance) P-C4' energy: -122.104 flat angles C4'-P-C4' energy: -148.896 flat angles P-C4'-P energy: -94.876 tors. eta vs tors. theta energy: -137.634 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: 187 Temperature: 1.200000 Total energy: -1497.608026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.608026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.608026 (E_RNA) where: Base-Base interactions energy: -941.786 where: short stacking energy: -400.186 Base-Backbone interact. energy: -0.451 local terms energy: -555.370810 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -153.887 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -76.122 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: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1205.986667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.986667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.986667 (E_RNA) where: Base-Base interactions energy: -725.169 where: short stacking energy: -337.963 Base-Backbone interact. energy: 0.522 local terms energy: -481.339914 where: bonds (distance) C4'-P energy: -114.502 bonds (distance) P-C4' energy: -129.574 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -40.777 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -793.654486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.654486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.654486 (E_RNA) where: Base-Base interactions energy: -388.416 where: short stacking energy: -224.798 Base-Backbone interact. energy: -0.564 local terms energy: -404.675368 where: bonds (distance) C4'-P energy: -111.668 bonds (distance) P-C4' energy: -141.493 flat angles C4'-P-C4' energy: -94.225 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: 6.620 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: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -572.860173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.860173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.860173 (E_RNA) where: Base-Base interactions energy: -195.748 where: short stacking energy: -136.957 Base-Backbone interact. energy: -1.912 local terms energy: -375.199718 where: bonds (distance) C4'-P energy: -107.174 bonds (distance) P-C4' energy: -131.000 flat angles C4'-P-C4' energy: -94.178 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: 30.383 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: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2569.187898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.187898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.187898 (E_RNA) where: Base-Base interactions energy: -1755.135 where: short stacking energy: -731.319 Base-Backbone interact. energy: -1.788 local terms energy: -812.264456 where: bonds (distance) C4'-P energy: -157.167 bonds (distance) P-C4' energy: -150.500 flat angles C4'-P-C4' energy: -167.169 flat angles P-C4'-P energy: -112.847 tors. eta vs tors. theta energy: -224.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2470.410996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.410996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.410996 (E_RNA) where: Base-Base interactions energy: -1674.774 where: short stacking energy: -719.896 Base-Backbone interact. energy: -1.737 local terms energy: -793.899310 where: bonds (distance) C4'-P energy: -148.371 bonds (distance) P-C4' energy: -146.196 flat angles C4'-P-C4' energy: -170.413 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -222.373 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: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2427.806612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.806612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.806612 (E_RNA) where: Base-Base interactions energy: -1648.821 where: short stacking energy: -705.590 Base-Backbone interact. energy: -4.037 local terms energy: -774.949220 where: bonds (distance) C4'-P energy: -132.764 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -168.948 flat angles P-C4'-P energy: -116.177 tors. eta vs tors. theta energy: -206.776 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: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2331.474289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.474289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.474289 (E_RNA) where: Base-Base interactions energy: -1603.248 where: short stacking energy: -656.143 Base-Backbone interact. energy: -4.717 local terms energy: -723.509383 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -149.599 flat angles C4'-P-C4' energy: -147.320 flat angles P-C4'-P energy: -94.744 tors. eta vs tors. theta energy: -189.484 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: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2156.465197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.465197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.465197 (E_RNA) where: Base-Base interactions energy: -1462.439 where: short stacking energy: -624.545 Base-Backbone interact. energy: 0.553 local terms energy: -694.578935 where: bonds (distance) C4'-P energy: -121.173 bonds (distance) P-C4' energy: -122.300 flat angles C4'-P-C4' energy: -156.094 flat angles P-C4'-P energy: -109.183 tors. eta vs tors. theta energy: -185.829 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: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1884.855452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.855452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.855452 (E_RNA) where: Base-Base interactions energy: -1232.096 where: short stacking energy: -509.915 Base-Backbone interact. energy: -3.491 local terms energy: -649.267874 where: bonds (distance) C4'-P energy: -115.653 bonds (distance) P-C4' energy: -140.054 flat angles C4'-P-C4' energy: -154.037 flat angles P-C4'-P energy: -95.320 tors. eta vs tors. theta energy: -144.203 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: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1542.203512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.203512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.203512 (E_RNA) where: Base-Base interactions energy: -953.988 where: short stacking energy: -422.257 Base-Backbone interact. energy: 0.726 local terms energy: -588.942343 where: bonds (distance) C4'-P energy: -115.125 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -96.366 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: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1258.534665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.534665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.534665 (E_RNA) where: Base-Base interactions energy: -748.489 where: short stacking energy: -373.765 Base-Backbone interact. energy: 0.200 local terms energy: -510.245108 where: bonds (distance) C4'-P energy: -116.895 bonds (distance) P-C4' energy: -134.679 flat angles C4'-P-C4' energy: -133.084 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -858.184400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.184400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.184400 (E_RNA) where: Base-Base interactions energy: -445.317 where: short stacking energy: -209.279 Base-Backbone interact. energy: 3.505 local terms energy: -416.372843 where: bonds (distance) C4'-P energy: -124.879 bonds (distance) P-C4' energy: -130.100 flat angles C4'-P-C4' energy: -85.516 flat angles P-C4'-P energy: -61.835 tors. eta vs tors. theta energy: -14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -603.900248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.900248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.900248 (E_RNA) where: Base-Base interactions energy: -220.710 where: short stacking energy: -160.926 Base-Backbone interact. energy: 3.277 local terms energy: -386.467320 where: bonds (distance) C4'-P energy: -123.605 bonds (distance) P-C4' energy: -135.750 flat angles C4'-P-C4' energy: -113.215 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: 56.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2543.953254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.953254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.953254 (E_RNA) where: Base-Base interactions energy: -1751.383 where: short stacking energy: -758.993 Base-Backbone interact. energy: -4.832 local terms energy: -787.738369 where: bonds (distance) C4'-P energy: -151.218 bonds (distance) P-C4' energy: -152.214 flat angles C4'-P-C4' energy: -159.789 flat angles P-C4'-P energy: -103.934 tors. eta vs tors. theta energy: -220.583 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: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2484.288111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.288111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.288111 (E_RNA) where: Base-Base interactions energy: -1688.284 where: short stacking energy: -699.161 Base-Backbone interact. energy: -4.202 local terms energy: -791.801457 where: bonds (distance) C4'-P energy: -139.815 bonds (distance) P-C4' energy: -161.685 flat angles C4'-P-C4' energy: -165.960 flat angles P-C4'-P energy: -114.393 tors. eta vs tors. theta energy: -209.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2414.827627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.827627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.827627 (E_RNA) where: Base-Base interactions energy: -1635.823 where: short stacking energy: -715.844 Base-Backbone interact. energy: -3.796 local terms energy: -775.208550 where: bonds (distance) C4'-P energy: -136.755 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -157.609 flat angles P-C4'-P energy: -104.891 tors. eta vs tors. theta energy: -222.574 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: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2346.022978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.022978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.022978 (E_RNA) where: Base-Base interactions energy: -1614.754 where: short stacking energy: -651.243 Base-Backbone interact. energy: 0.184 local terms energy: -731.453209 where: bonds (distance) C4'-P energy: -143.522 bonds (distance) P-C4' energy: -133.693 flat angles C4'-P-C4' energy: -149.585 flat angles P-C4'-P energy: -112.476 tors. eta vs tors. theta energy: -192.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2120.256681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.256681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.256681 (E_RNA) where: Base-Base interactions energy: -1415.220 where: short stacking energy: -637.471 Base-Backbone interact. energy: -0.517 local terms energy: -704.519580 where: bonds (distance) C4'-P energy: -151.342 bonds (distance) P-C4' energy: -135.427 flat angles C4'-P-C4' energy: -142.934 flat angles P-C4'-P energy: -101.170 tors. eta vs tors. theta energy: -173.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1929.445673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.445673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.445673 (E_RNA) where: Base-Base interactions energy: -1254.355 where: short stacking energy: -539.154 Base-Backbone interact. energy: -0.916 local terms energy: -674.174391 where: bonds (distance) C4'-P energy: -141.671 bonds (distance) P-C4' energy: -131.573 flat angles C4'-P-C4' energy: -151.903 flat angles P-C4'-P energy: -96.561 tors. eta vs tors. theta energy: -152.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1509.571123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.571123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.571123 (E_RNA) where: Base-Base interactions energy: -929.687 where: short stacking energy: -422.448 Base-Backbone interact. energy: 0.768 local terms energy: -580.652178 where: bonds (distance) C4'-P energy: -138.291 bonds (distance) P-C4' energy: -133.471 flat angles C4'-P-C4' energy: -132.723 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -96.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1190.243984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.243984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.243984 (E_RNA) where: Base-Base interactions energy: -699.185 where: short stacking energy: -345.268 Base-Backbone interact. energy: 1.846 local terms energy: -492.905455 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -122.992 flat angles C4'-P-C4' energy: -119.343 flat angles P-C4'-P energy: -70.749 tors. eta vs tors. theta energy: -50.748 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -915.156082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.156082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.156082 (E_RNA) where: Base-Base interactions energy: -482.319 where: short stacking energy: -270.464 Base-Backbone interact. energy: 7.160 local terms energy: -439.997309 where: bonds (distance) C4'-P energy: -114.952 bonds (distance) P-C4' energy: -130.661 flat angles C4'-P-C4' energy: -125.898 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -15.451 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: 189 Temperature: 1.350000 Total energy: -566.890266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.890266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.890266 (E_RNA) where: Base-Base interactions energy: -208.608 where: short stacking energy: -141.548 Base-Backbone interact. energy: 4.290 local terms energy: -362.572865 where: bonds (distance) C4'-P energy: -123.622 bonds (distance) P-C4' energy: -127.994 flat angles C4'-P-C4' energy: -91.322 flat angles P-C4'-P energy: -52.731 tors. eta vs tors. theta energy: 33.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2566.771795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.771795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.771795 (E_RNA) where: Base-Base interactions energy: -1744.638 where: short stacking energy: -749.320 Base-Backbone interact. energy: -2.736 local terms energy: -819.397770 where: bonds (distance) C4'-P energy: -148.433 bonds (distance) P-C4' energy: -144.879 flat angles C4'-P-C4' energy: -177.259 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -238.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2484.489738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.489738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.489738 (E_RNA) where: Base-Base interactions energy: -1681.519 where: short stacking energy: -721.562 Base-Backbone interact. energy: -3.011 local terms energy: -799.960093 where: bonds (distance) C4'-P energy: -154.616 bonds (distance) P-C4' energy: -155.158 flat angles C4'-P-C4' energy: -162.846 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -212.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2359.545296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.545296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.545296 (E_RNA) where: Base-Base interactions energy: -1601.854 where: short stacking energy: -699.843 Base-Backbone interact. energy: -1.968 local terms energy: -755.722911 where: bonds (distance) C4'-P energy: -139.389 bonds (distance) P-C4' energy: -126.119 flat angles C4'-P-C4' energy: -154.423 flat angles P-C4'-P energy: -123.726 tors. eta vs tors. theta energy: -212.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2316.522550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.522550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.522550 (E_RNA) where: Base-Base interactions energy: -1597.071 where: short stacking energy: -659.379 Base-Backbone interact. energy: -0.967 local terms energy: -718.484733 where: bonds (distance) C4'-P energy: -135.745 bonds (distance) P-C4' energy: -149.999 flat angles C4'-P-C4' energy: -152.558 flat angles P-C4'-P energy: -86.551 tors. eta vs tors. theta energy: -193.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2096.972580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.972580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.972580 (E_RNA) where: Base-Base interactions energy: -1411.923 where: short stacking energy: -618.598 Base-Backbone interact. energy: -2.449 local terms energy: -682.600313 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -136.460 flat angles C4'-P-C4' energy: -142.688 flat angles P-C4'-P energy: -91.365 tors. eta vs tors. theta energy: -178.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1920.991264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.991264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.991264 (E_RNA) where: Base-Base interactions energy: -1259.711 where: short stacking energy: -533.554 Base-Backbone interact. energy: 2.217 local terms energy: -663.496657 where: bonds (distance) C4'-P energy: -135.990 bonds (distance) P-C4' energy: -139.821 flat angles C4'-P-C4' energy: -137.538 flat angles P-C4'-P energy: -105.634 tors. eta vs tors. theta energy: -144.514 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: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1482.690377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.690377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.690377 (E_RNA) where: Base-Base interactions energy: -958.083 where: short stacking energy: -413.968 Base-Backbone interact. energy: -4.315 local terms energy: -520.291672 where: bonds (distance) C4'-P energy: -127.493 bonds (distance) P-C4' energy: -138.865 flat angles C4'-P-C4' energy: -110.001 flat angles P-C4'-P energy: -65.240 tors. eta vs tors. theta energy: -78.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1201.628345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.628345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.628345 (E_RNA) where: Base-Base interactions energy: -709.309 where: short stacking energy: -366.740 Base-Backbone interact. energy: -0.694 local terms energy: -491.625578 where: bonds (distance) C4'-P energy: -138.952 bonds (distance) P-C4' energy: -122.674 flat angles C4'-P-C4' energy: -127.117 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -37.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -834.622062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.622062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.622062 (E_RNA) where: Base-Base interactions energy: -410.990 where: short stacking energy: -211.828 Base-Backbone interact. energy: -1.775 local terms energy: -421.857072 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -124.997 flat angles C4'-P-C4' energy: -123.080 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: 10.522 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -614.108508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.108508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.108508 (E_RNA) where: Base-Base interactions energy: -225.220 where: short stacking energy: -165.987 Base-Backbone interact. energy: 8.123 local terms energy: -397.010908 where: bonds (distance) C4'-P energy: -88.001 bonds (distance) P-C4' energy: -138.796 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: 7.914 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: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2593.075369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.075369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.075369 (E_RNA) where: Base-Base interactions energy: -1752.273 where: short stacking energy: -751.247 Base-Backbone interact. energy: -4.165 local terms energy: -836.637102 where: bonds (distance) C4'-P energy: -151.228 bonds (distance) P-C4' energy: -154.157 flat angles C4'-P-C4' energy: -178.212 flat angles P-C4'-P energy: -113.017 tors. eta vs tors. theta energy: -240.023 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: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2472.084929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.084929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.084929 (E_RNA) where: Base-Base interactions energy: -1697.749 where: short stacking energy: -740.041 Base-Backbone interact. energy: -3.030 local terms energy: -771.305823 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -141.149 flat angles C4'-P-C4' energy: -167.911 flat angles P-C4'-P energy: -124.618 tors. eta vs tors. theta energy: -202.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2360.431991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.431991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.431991 (E_RNA) where: Base-Base interactions energy: -1577.895 where: short stacking energy: -711.781 Base-Backbone interact. energy: 4.360 local terms energy: -786.896477 where: bonds (distance) C4'-P energy: -147.380 bonds (distance) P-C4' energy: -147.513 flat angles C4'-P-C4' energy: -169.013 flat angles P-C4'-P energy: -107.951 tors. eta vs tors. theta energy: -215.039 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: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2312.516604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.516604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.516604 (E_RNA) where: Base-Base interactions energy: -1600.328 where: short stacking energy: -657.726 Base-Backbone interact. energy: -0.795 local terms energy: -711.394187 where: bonds (distance) C4'-P energy: -137.577 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -167.225 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -194.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2148.267097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.267097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.267097 (E_RNA) where: Base-Base interactions energy: -1432.238 where: short stacking energy: -622.233 Base-Backbone interact. energy: -1.300 local terms energy: -714.729356 where: bonds (distance) C4'-P energy: -124.654 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -168.360 flat angles P-C4'-P energy: -102.279 tors. eta vs tors. theta energy: -185.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1886.292572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.292572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.292572 (E_RNA) where: Base-Base interactions energy: -1262.163 where: short stacking energy: -538.104 Base-Backbone interact. energy: 0.581 local terms energy: -624.709961 where: bonds (distance) C4'-P energy: -122.176 bonds (distance) P-C4' energy: -138.678 flat angles C4'-P-C4' energy: -144.726 flat angles P-C4'-P energy: -84.424 tors. eta vs tors. theta energy: -134.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1539.100832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.100832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.100832 (E_RNA) where: Base-Base interactions energy: -988.320 where: short stacking energy: -448.555 Base-Backbone interact. energy: -1.740 local terms energy: -549.041423 where: bonds (distance) C4'-P energy: -123.988 bonds (distance) P-C4' energy: -136.151 flat angles C4'-P-C4' energy: -128.314 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -103.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1246.261956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.261956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.261956 (E_RNA) where: Base-Base interactions energy: -752.449 where: short stacking energy: -334.571 Base-Backbone interact. energy: 3.512 local terms energy: -497.325599 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -106.719 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -67.302 tors. eta vs tors. theta energy: -56.467 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -863.059779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.059779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.059779 (E_RNA) where: Base-Base interactions energy: -436.634 where: short stacking energy: -250.658 Base-Backbone interact. energy: 3.846 local terms energy: -430.271870 where: bonds (distance) C4'-P energy: -127.781 bonds (distance) P-C4' energy: -129.518 flat angles C4'-P-C4' energy: -94.549 flat angles P-C4'-P energy: -59.600 tors. eta vs tors. theta energy: -18.825 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: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -660.766749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.766749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.766749 (E_RNA) where: Base-Base interactions energy: -277.708 where: short stacking energy: -163.827 Base-Backbone interact. energy: 1.807 local terms energy: -384.865333 where: bonds (distance) C4'-P energy: -124.746 bonds (distance) P-C4' energy: -133.085 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -59.682 tors. eta vs tors. theta energy: 30.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2550.681354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.681354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.681354 (E_RNA) where: Base-Base interactions energy: -1724.263 where: short stacking energy: -746.754 Base-Backbone interact. energy: -2.874 local terms energy: -823.544447 where: bonds (distance) C4'-P energy: -163.726 bonds (distance) P-C4' energy: -158.289 flat angles C4'-P-C4' energy: -170.998 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -219.671 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: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2464.867207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.867207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.867207 (E_RNA) where: Base-Base interactions energy: -1683.223 where: short stacking energy: -730.677 Base-Backbone interact. energy: -6.695 local terms energy: -774.949416 where: bonds (distance) C4'-P energy: -133.829 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -173.591 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -214.952 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: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2368.260002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.260002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.260002 (E_RNA) where: Base-Base interactions energy: -1556.918 where: short stacking energy: -697.621 Base-Backbone interact. energy: -3.502 local terms energy: -807.840090 where: bonds (distance) C4'-P energy: -143.497 bonds (distance) P-C4' energy: -156.359 flat angles C4'-P-C4' energy: -174.488 flat angles P-C4'-P energy: -111.849 tors. eta vs tors. theta energy: -221.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2314.065324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.065324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.065324 (E_RNA) where: Base-Base interactions energy: -1607.968 where: short stacking energy: -636.675 Base-Backbone interact. energy: -2.897 local terms energy: -703.200426 where: bonds (distance) C4'-P energy: -114.681 bonds (distance) P-C4' energy: -139.612 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -100.510 tors. eta vs tors. theta energy: -186.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2119.305381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.305381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.305381 (E_RNA) where: Base-Base interactions energy: -1409.510 where: short stacking energy: -592.684 Base-Backbone interact. energy: -4.254 local terms energy: -705.541923 where: bonds (distance) C4'-P energy: -145.687 bonds (distance) P-C4' energy: -119.590 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -112.169 tors. eta vs tors. theta energy: -178.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1862.597664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.597664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.597664 (E_RNA) where: Base-Base interactions energy: -1239.454 where: short stacking energy: -542.079 Base-Backbone interact. energy: -2.033 local terms energy: -621.110677 where: bonds (distance) C4'-P energy: -120.620 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -139.211 flat angles P-C4'-P energy: -86.154 tors. eta vs tors. theta energy: -147.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1561.732316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.732316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.732316 (E_RNA) where: Base-Base interactions energy: -975.909 where: short stacking energy: -455.899 Base-Backbone interact. energy: -1.132 local terms energy: -584.691872 where: bonds (distance) C4'-P energy: -126.578 bonds (distance) P-C4' energy: -127.165 flat angles C4'-P-C4' energy: -123.581 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -120.932 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: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1272.311812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.311812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.311812 (E_RNA) where: Base-Base interactions energy: -722.315 where: short stacking energy: -341.829 Base-Backbone interact. energy: 0.254 local terms energy: -550.250636 where: bonds (distance) C4'-P energy: -119.497 bonds (distance) P-C4' energy: -135.934 flat angles C4'-P-C4' energy: -145.008 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -70.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -865.969511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.969511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.969511 (E_RNA) where: Base-Base interactions energy: -431.262 where: short stacking energy: -231.901 Base-Backbone interact. energy: 9.748 local terms energy: -444.455604 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -120.317 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -2.377 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: 192 Temperature: 1.350000 Total energy: -660.092896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.092896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.092896 (E_RNA) where: Base-Base interactions energy: -283.268 where: short stacking energy: -158.273 Base-Backbone interact. energy: -3.818 local terms energy: -373.006766 where: bonds (distance) C4'-P energy: -108.229 bonds (distance) P-C4' energy: -132.563 flat angles C4'-P-C4' energy: -92.420 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: 22.337 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: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2578.422659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.422659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.422659 (E_RNA) where: Base-Base interactions energy: -1729.101 where: short stacking energy: -762.015 Base-Backbone interact. energy: -1.615 local terms energy: -847.707246 where: bonds (distance) C4'-P energy: -154.417 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -179.317 flat angles P-C4'-P energy: -126.671 tors. eta vs tors. theta energy: -232.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2465.258959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.258959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.258959 (E_RNA) where: Base-Base interactions energy: -1669.485 where: short stacking energy: -699.482 Base-Backbone interact. energy: -2.644 local terms energy: -793.130276 where: bonds (distance) C4'-P energy: -147.748 bonds (distance) P-C4' energy: -153.203 flat angles C4'-P-C4' energy: -167.339 flat angles P-C4'-P energy: -109.202 tors. eta vs tors. theta energy: -215.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2386.112716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.112716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.112716 (E_RNA) where: Base-Base interactions energy: -1610.524 where: short stacking energy: -697.517 Base-Backbone interact. energy: 0.311 local terms energy: -775.899248 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -150.691 flat angles C4'-P-C4' energy: -172.178 flat angles P-C4'-P energy: -88.792 tors. eta vs tors. theta energy: -225.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2354.816774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.816774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.816774 (E_RNA) where: Base-Base interactions energy: -1609.619 where: short stacking energy: -648.277 Base-Backbone interact. energy: 0.360 local terms energy: -745.557082 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -203.824 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: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2077.597626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.597626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.597626 (E_RNA) where: Base-Base interactions energy: -1378.261 where: short stacking energy: -577.551 Base-Backbone interact. energy: -4.195 local terms energy: -695.141123 where: bonds (distance) C4'-P energy: -135.931 bonds (distance) P-C4' energy: -136.040 flat angles C4'-P-C4' energy: -157.855 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -162.829 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: 6, replica: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1838.534884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.534884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.534884 (E_RNA) where: Base-Base interactions energy: -1207.189 where: short stacking energy: -508.372 Base-Backbone interact. energy: -0.875 local terms energy: -630.470766 where: bonds (distance) C4'-P energy: -131.652 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -94.005 tors. eta vs tors. theta energy: -139.010 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: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1495.894749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.894749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.894749 (E_RNA) where: Base-Base interactions energy: -942.474 where: short stacking energy: -422.671 Base-Backbone interact. energy: 2.700 local terms energy: -556.120499 where: bonds (distance) C4'-P energy: -134.347 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -138.727 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -92.124 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: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1263.756325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.756325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.756325 (E_RNA) where: Base-Base interactions energy: -723.291 where: short stacking energy: -366.120 Base-Backbone interact. energy: 1.148 local terms energy: -541.613674 where: bonds (distance) C4'-P energy: -118.844 bonds (distance) P-C4' energy: -133.128 flat angles C4'-P-C4' energy: -136.874 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -74.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -898.843923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.843923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.843923 (E_RNA) where: Base-Base interactions energy: -472.177 where: short stacking energy: -256.873 Base-Backbone interact. energy: -2.000 local terms energy: -424.667106 where: bonds (distance) C4'-P energy: -99.377 bonds (distance) P-C4' energy: -131.886 flat angles C4'-P-C4' energy: -113.783 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -650.229228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.229228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.229228 (E_RNA) where: Base-Base interactions energy: -300.685 where: short stacking energy: -170.522 Base-Backbone interact. energy: -2.737 local terms energy: -346.807517 where: bonds (distance) C4'-P energy: -108.828 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -92.895 flat angles P-C4'-P energy: -57.097 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: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2560.203583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.203583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.203583 (E_RNA) where: Base-Base interactions energy: -1736.907 where: short stacking energy: -740.295 Base-Backbone interact. energy: -0.677 local terms energy: -822.619900 where: bonds (distance) C4'-P energy: -143.702 bonds (distance) P-C4' energy: -160.758 flat angles C4'-P-C4' energy: -173.481 flat angles P-C4'-P energy: -112.768 tors. eta vs tors. theta energy: -231.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2474.637976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.637976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.637976 (E_RNA) where: Base-Base interactions energy: -1693.226 where: short stacking energy: -719.851 Base-Backbone interact. energy: -4.879 local terms energy: -776.533065 where: bonds (distance) C4'-P energy: -139.821 bonds (distance) P-C4' energy: -140.297 flat angles C4'-P-C4' energy: -175.171 flat angles P-C4'-P energy: -99.771 tors. eta vs tors. theta energy: -221.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2394.484937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.484937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.484937 (E_RNA) where: Base-Base interactions energy: -1572.243 where: short stacking energy: -710.835 Base-Backbone interact. energy: -2.494 local terms energy: -819.747706 where: bonds (distance) C4'-P energy: -150.693 bonds (distance) P-C4' energy: -133.170 flat angles C4'-P-C4' energy: -178.852 flat angles P-C4'-P energy: -133.168 tors. eta vs tors. theta energy: -223.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2329.037182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.037182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.037182 (E_RNA) where: Base-Base interactions energy: -1603.071 where: short stacking energy: -651.436 Base-Backbone interact. energy: 3.344 local terms energy: -729.310191 where: bonds (distance) C4'-P energy: -138.321 bonds (distance) P-C4' energy: -156.742 flat angles C4'-P-C4' energy: -148.481 flat angles P-C4'-P energy: -95.182 tors. eta vs tors. theta energy: -190.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2100.906507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.906507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.906507 (E_RNA) where: Base-Base interactions energy: -1424.131 where: short stacking energy: -601.224 Base-Backbone interact. energy: -1.936 local terms energy: -674.839705 where: bonds (distance) C4'-P energy: -140.130 bonds (distance) P-C4' energy: -126.877 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -90.653 tors. eta vs tors. theta energy: -177.913 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: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1863.165496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.165496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.165496 (E_RNA) where: Base-Base interactions energy: -1209.085 where: short stacking energy: -537.975 Base-Backbone interact. energy: -0.932 local terms energy: -653.148493 where: bonds (distance) C4'-P energy: -129.679 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -149.733 flat angles P-C4'-P energy: -90.446 tors. eta vs tors. theta energy: -142.521 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: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1518.324504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.324504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.324504 (E_RNA) where: Base-Base interactions energy: -968.991 where: short stacking energy: -452.822 Base-Backbone interact. energy: 2.053 local terms energy: -551.386104 where: bonds (distance) C4'-P energy: -117.120 bonds (distance) P-C4' energy: -124.354 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -95.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1220.935000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.935000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.935000 (E_RNA) where: Base-Base interactions energy: -734.139 where: short stacking energy: -330.761 Base-Backbone interact. energy: -2.038 local terms energy: -484.758948 where: bonds (distance) C4'-P energy: -107.718 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -117.515 flat angles P-C4'-P energy: -69.411 tors. eta vs tors. theta energy: -57.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -823.449042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.449042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.449042 (E_RNA) where: Base-Base interactions energy: -407.004 where: short stacking energy: -208.776 Base-Backbone interact. energy: -1.629 local terms energy: -414.816381 where: bonds (distance) C4'-P energy: -123.123 bonds (distance) P-C4' energy: -138.768 flat angles C4'-P-C4' energy: -102.026 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: 17.281 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: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -627.148113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.148113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.148113 (E_RNA) where: Base-Base interactions energy: -252.799 where: short stacking energy: -146.203 Base-Backbone interact. energy: 2.767 local terms energy: -377.115695 where: bonds (distance) C4'-P energy: -119.892 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -104.018 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: 26.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2615.405338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.405338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.405338 (E_RNA) where: Base-Base interactions energy: -1792.272 where: short stacking energy: -762.364 Base-Backbone interact. energy: -1.957 local terms energy: -821.176035 where: bonds (distance) C4'-P energy: -165.971 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -175.189 flat angles P-C4'-P energy: -103.456 tors. eta vs tors. theta energy: -224.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2474.226564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.226564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.226564 (E_RNA) where: Base-Base interactions energy: -1688.167 where: short stacking energy: -719.454 Base-Backbone interact. energy: -3.470 local terms energy: -782.589636 where: bonds (distance) C4'-P energy: -142.815 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -163.367 flat angles P-C4'-P energy: -101.946 tors. eta vs tors. theta energy: -220.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2397.994603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.994603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.994603 (E_RNA) where: Base-Base interactions energy: -1584.650 where: short stacking energy: -721.668 Base-Backbone interact. energy: -1.708 local terms energy: -811.636826 where: bonds (distance) C4'-P energy: -145.373 bonds (distance) P-C4' energy: -138.385 flat angles C4'-P-C4' energy: -164.081 flat angles P-C4'-P energy: -120.040 tors. eta vs tors. theta energy: -243.759 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: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2290.592477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.592477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.592477 (E_RNA) where: Base-Base interactions energy: -1567.531 where: short stacking energy: -647.977 Base-Backbone interact. energy: -4.868 local terms energy: -718.193719 where: bonds (distance) C4'-P energy: -138.526 bonds (distance) P-C4' energy: -138.688 flat angles C4'-P-C4' energy: -156.405 flat angles P-C4'-P energy: -97.138 tors. eta vs tors. theta energy: -187.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2088.051250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.051250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.051250 (E_RNA) where: Base-Base interactions energy: -1383.243 where: short stacking energy: -565.144 Base-Backbone interact. energy: 1.930 local terms energy: -706.738354 where: bonds (distance) C4'-P energy: -143.473 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -109.007 tors. eta vs tors. theta energy: -157.190 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1908.968030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.968030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.968030 (E_RNA) where: Base-Base interactions energy: -1231.268 where: short stacking energy: -530.461 Base-Backbone interact. energy: -1.047 local terms energy: -676.652863 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -156.505 flat angles P-C4'-P energy: -103.164 tors. eta vs tors. theta energy: -155.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1566.846804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.846804 (E_RNA) where: Base-Base interactions energy: -974.329 where: short stacking energy: -427.877 Base-Backbone interact. energy: -1.908 local terms energy: -590.609558 where: bonds (distance) C4'-P energy: -140.262 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -124.073 flat angles P-C4'-P energy: -66.907 tors. eta vs tors. theta energy: -108.877 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: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1223.704491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.704491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.704491 (E_RNA) where: Base-Base interactions energy: -716.233 where: short stacking energy: -329.960 Base-Backbone interact. energy: -3.665 local terms energy: -503.806585 where: bonds (distance) C4'-P energy: -124.194 bonds (distance) P-C4' energy: -136.181 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -78.160 tors. eta vs tors. theta energy: -59.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -860.767250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.767250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.767250 (E_RNA) where: Base-Base interactions energy: -418.457 where: short stacking energy: -243.519 Base-Backbone interact. energy: -2.009 local terms energy: -440.301275 where: bonds (distance) C4'-P energy: -121.419 bonds (distance) P-C4' energy: -122.941 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -59.278 tors. eta vs tors. theta energy: -30.699 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: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -625.548713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.548713 (E_RNA) where: Base-Base interactions energy: -228.661 where: short stacking energy: -145.985 Base-Backbone interact. energy: -0.509 local terms energy: -396.379320 where: bonds (distance) C4'-P energy: -117.114 bonds (distance) P-C4' energy: -133.555 flat angles C4'-P-C4' energy: -99.540 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: 15.560 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: 196 Temperature: 0.900000 Total energy: -2563.103021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.103021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.103021 (E_RNA) where: Base-Base interactions energy: -1750.012 where: short stacking energy: -755.376 Base-Backbone interact. energy: -2.041 local terms energy: -811.049780 where: bonds (distance) C4'-P energy: -149.371 bonds (distance) P-C4' energy: -152.915 flat angles C4'-P-C4' energy: -170.938 flat angles P-C4'-P energy: -107.916 tors. eta vs tors. theta energy: -229.909 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: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2489.548620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.548620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.548620 (E_RNA) where: Base-Base interactions energy: -1690.393 where: short stacking energy: -742.207 Base-Backbone interact. energy: -1.670 local terms energy: -797.486103 where: bonds (distance) C4'-P energy: -145.288 bonds (distance) P-C4' energy: -150.960 flat angles C4'-P-C4' energy: -163.468 flat angles P-C4'-P energy: -119.791 tors. eta vs tors. theta energy: -217.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2343.081446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.081446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.081446 (E_RNA) where: Base-Base interactions energy: -1599.854 where: short stacking energy: -656.504 Base-Backbone interact. energy: -3.396 local terms energy: -739.831590 where: bonds (distance) C4'-P energy: -150.048 bonds (distance) P-C4' energy: -132.470 flat angles C4'-P-C4' energy: -168.201 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -196.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2315.543224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.543224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.543224 (E_RNA) where: Base-Base interactions energy: -1538.031 where: short stacking energy: -672.588 Base-Backbone interact. energy: -2.808 local terms energy: -774.704995 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -161.271 flat angles P-C4'-P energy: -108.533 tors. eta vs tors. theta energy: -215.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2108.017677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.017677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.017677 (E_RNA) where: Base-Base interactions energy: -1399.464 where: short stacking energy: -597.324 Base-Backbone interact. energy: -1.345 local terms energy: -707.208616 where: bonds (distance) C4'-P energy: -140.246 bonds (distance) P-C4' energy: -146.977 flat angles C4'-P-C4' energy: -150.549 flat angles P-C4'-P energy: -85.405 tors. eta vs tors. theta energy: -184.031 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: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1905.994279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.994279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.994279 (E_RNA) where: Base-Base interactions energy: -1247.650 where: short stacking energy: -549.455 Base-Backbone interact. energy: -1.910 local terms energy: -656.434533 where: bonds (distance) C4'-P energy: -128.153 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -146.419 flat angles P-C4'-P energy: -99.646 tors. eta vs tors. theta energy: -147.559 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: 196 Temperature: 1.200000 Total energy: -1539.990568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.990568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.990568 (E_RNA) where: Base-Base interactions energy: -1010.122 where: short stacking energy: -445.324 Base-Backbone interact. energy: 1.139 local terms energy: -531.008241 where: bonds (distance) C4'-P energy: -105.571 bonds (distance) P-C4' energy: -115.861 flat angles C4'-P-C4' energy: -128.193 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -101.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1195.561119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.561119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.561119 (E_RNA) where: Base-Base interactions energy: -707.234 where: short stacking energy: -328.983 Base-Backbone interact. energy: 1.491 local terms energy: -489.818674 where: bonds (distance) C4'-P energy: -115.681 bonds (distance) P-C4' energy: -114.689 flat angles C4'-P-C4' energy: -135.630 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -44.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -768.415868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.415868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.415868 (E_RNA) where: Base-Base interactions energy: -366.799 where: short stacking energy: -199.931 Base-Backbone interact. energy: -1.702 local terms energy: -399.915408 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -115.654 flat angles P-C4'-P energy: -67.109 tors. eta vs tors. theta energy: 13.918 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: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -592.580164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.580164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.580164 (E_RNA) where: Base-Base interactions energy: -234.978 where: short stacking energy: -148.864 Base-Backbone interact. energy: 0.053 local terms energy: -357.654854 where: bonds (distance) C4'-P energy: -106.685 bonds (distance) P-C4' energy: -126.081 flat angles C4'-P-C4' energy: -94.836 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: 24.765 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: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2571.232638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.232638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.232638 (E_RNA) where: Base-Base interactions energy: -1771.446 where: short stacking energy: -745.484 Base-Backbone interact. energy: 1.583 local terms energy: -801.369011 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -172.197 flat angles P-C4'-P energy: -106.935 tors. eta vs tors. theta energy: -225.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2484.836515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.836515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.836515 (E_RNA) where: Base-Base interactions energy: -1708.255 where: short stacking energy: -729.434 Base-Backbone interact. energy: -3.540 local terms energy: -773.041362 where: bonds (distance) C4'-P energy: -145.559 bonds (distance) P-C4' energy: -145.828 flat angles C4'-P-C4' energy: -166.076 flat angles P-C4'-P energy: -98.119 tors. eta vs tors. theta energy: -217.459 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: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2402.063665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.063665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.063665 (E_RNA) where: Base-Base interactions energy: -1627.984 where: short stacking energy: -669.619 Base-Backbone interact. energy: -3.511 local terms energy: -770.569513 where: bonds (distance) C4'-P energy: -157.240 bonds (distance) P-C4' energy: -143.660 flat angles C4'-P-C4' energy: -160.209 flat angles P-C4'-P energy: -108.251 tors. eta vs tors. theta energy: -201.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2311.383388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.383388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.383388 (E_RNA) where: Base-Base interactions energy: -1544.128 where: short stacking energy: -698.905 Base-Backbone interact. energy: -0.410 local terms energy: -766.845572 where: bonds (distance) C4'-P energy: -145.430 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -160.325 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -223.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2120.331104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.331104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.331104 (E_RNA) where: Base-Base interactions energy: -1425.115 where: short stacking energy: -620.191 Base-Backbone interact. energy: -1.224 local terms energy: -693.991505 where: bonds (distance) C4'-P energy: -136.443 bonds (distance) P-C4' energy: -136.120 flat angles C4'-P-C4' energy: -142.782 flat angles P-C4'-P energy: -101.543 tors. eta vs tors. theta energy: -177.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1884.543801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.543801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.543801 (E_RNA) where: Base-Base interactions energy: -1253.796 where: short stacking energy: -539.663 Base-Backbone interact. energy: -0.813 local terms energy: -629.934615 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -146.256 flat angles P-C4'-P energy: -82.686 tors. eta vs tors. theta energy: -141.010 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: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1619.971491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.971491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.971491 (E_RNA) where: Base-Base interactions energy: -1000.048 where: short stacking energy: -452.247 Base-Backbone interact. energy: -1.007 local terms energy: -618.917131 where: bonds (distance) C4'-P energy: -125.345 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -146.529 flat angles P-C4'-P energy: -79.890 tors. eta vs tors. theta energy: -117.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1221.253026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.253026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.253026 (E_RNA) where: Base-Base interactions energy: -736.170 where: short stacking energy: -354.301 Base-Backbone interact. energy: 5.106 local terms energy: -490.188541 where: bonds (distance) C4'-P energy: -110.657 bonds (distance) P-C4' energy: -125.621 flat angles C4'-P-C4' energy: -117.110 flat angles P-C4'-P energy: -92.697 tors. eta vs tors. theta energy: -44.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -747.307983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.307983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.307983 (E_RNA) where: Base-Base interactions energy: -319.174 where: short stacking energy: -197.033 Base-Backbone interact. energy: 0.458 local terms energy: -428.592785 where: bonds (distance) C4'-P energy: -130.052 bonds (distance) P-C4' energy: -136.270 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -71.819 tors. eta vs tors. theta energy: 22.773 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: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -619.365564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.365564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.365564 (E_RNA) where: Base-Base interactions energy: -254.307 where: short stacking energy: -181.240 Base-Backbone interact. energy: 1.514 local terms energy: -366.572636 where: bonds (distance) C4'-P energy: -135.921 bonds (distance) P-C4' energy: -129.466 flat angles C4'-P-C4' energy: -81.346 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: 34.145 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: 198 Temperature: 0.900000 Total energy: -2570.295227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.295227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.295227 (E_RNA) where: Base-Base interactions energy: -1751.502 where: short stacking energy: -730.376 Base-Backbone interact. energy: -1.133 local terms energy: -817.660481 where: bonds (distance) C4'-P energy: -154.544 bonds (distance) P-C4' energy: -171.385 flat angles C4'-P-C4' energy: -171.330 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -223.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2502.076964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.076964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.076964 (E_RNA) where: Base-Base interactions energy: -1701.694 where: short stacking energy: -719.430 Base-Backbone interact. energy: 2.559 local terms energy: -802.941949 where: bonds (distance) C4'-P energy: -149.541 bonds (distance) P-C4' energy: -148.892 flat angles C4'-P-C4' energy: -169.542 flat angles P-C4'-P energy: -115.915 tors. eta vs tors. theta energy: -219.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2394.043264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.043264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.043264 (E_RNA) where: Base-Base interactions energy: -1636.877 where: short stacking energy: -658.219 Base-Backbone interact. energy: -0.207 local terms energy: -756.959818 where: bonds (distance) C4'-P energy: -146.907 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -149.461 flat angles P-C4'-P energy: -110.703 tors. eta vs tors. theta energy: -210.663 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2342.378728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.378728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.378728 (E_RNA) where: Base-Base interactions energy: -1575.764 where: short stacking energy: -672.259 Base-Backbone interact. energy: -3.054 local terms energy: -763.560309 where: bonds (distance) C4'-P energy: -131.926 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -160.712 flat angles P-C4'-P energy: -103.797 tors. eta vs tors. theta energy: -230.351 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: 198 Temperature: 1.100000 Total energy: -2147.513537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.513537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.513537 (E_RNA) where: Base-Base interactions energy: -1439.436 where: short stacking energy: -622.317 Base-Backbone interact. energy: -2.542 local terms energy: -705.535307 where: bonds (distance) C4'-P energy: -131.986 bonds (distance) P-C4' energy: -133.934 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -97.230 tors. eta vs tors. theta energy: -194.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1888.555258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.555258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.555258 (E_RNA) where: Base-Base interactions energy: -1273.724 where: short stacking energy: -541.180 Base-Backbone interact. energy: -2.933 local terms energy: -611.898149 where: bonds (distance) C4'-P energy: -123.830 bonds (distance) P-C4' energy: -112.633 flat angles C4'-P-C4' energy: -136.185 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -150.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1556.545079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.545079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.545079 (E_RNA) where: Base-Base interactions energy: -984.644 where: short stacking energy: -414.408 Base-Backbone interact. energy: 1.554 local terms energy: -573.455505 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -138.934 flat angles C4'-P-C4' energy: -148.241 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -95.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1212.522358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.522358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.522358 (E_RNA) where: Base-Base interactions energy: -704.165 where: short stacking energy: -331.740 Base-Backbone interact. energy: -2.934 local terms energy: -505.423242 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -128.299 flat angles C4'-P-C4' energy: -135.850 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -61.522 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: 198 Temperature: 1.300000 Total energy: -704.712631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.712631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.712631 (E_RNA) where: Base-Base interactions energy: -316.643 where: short stacking energy: -205.387 Base-Backbone interact. energy: -2.345 local terms energy: -385.725103 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -134.110 flat angles C4'-P-C4' energy: -123.559 flat angles P-C4'-P energy: -37.460 tors. eta vs tors. theta energy: 23.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -772.144064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.144064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.144064 (E_RNA) where: Base-Base interactions energy: -401.167 where: short stacking energy: -206.268 Base-Backbone interact. energy: -3.963 local terms energy: -367.014410 where: bonds (distance) C4'-P energy: -117.385 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: 16.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2552.303564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.303564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.303564 (E_RNA) where: Base-Base interactions energy: -1748.002 where: short stacking energy: -720.376 Base-Backbone interact. energy: -4.798 local terms energy: -799.503245 where: bonds (distance) C4'-P energy: -155.053 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -185.045 flat angles P-C4'-P energy: -108.968 tors. eta vs tors. theta energy: -210.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2480.198095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.198095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.198095 (E_RNA) where: Base-Base interactions energy: -1712.786 where: short stacking energy: -742.345 Base-Backbone interact. energy: 3.850 local terms energy: -771.261979 where: bonds (distance) C4'-P energy: -140.240 bonds (distance) P-C4' energy: -150.553 flat angles C4'-P-C4' energy: -162.129 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -224.413 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: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2428.020527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.020527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.020527 (E_RNA) where: Base-Base interactions energy: -1659.342 where: short stacking energy: -688.319 Base-Backbone interact. energy: -0.719 local terms energy: -767.959520 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -166.093 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -109.246 tors. eta vs tors. theta energy: -194.092 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: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2321.581815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.581815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.581815 (E_RNA) where: Base-Base interactions energy: -1564.068 where: short stacking energy: -691.098 Base-Backbone interact. energy: -0.696 local terms energy: -756.818084 where: bonds (distance) C4'-P energy: -141.230 bonds (distance) P-C4' energy: -132.584 flat angles C4'-P-C4' energy: -157.663 flat angles P-C4'-P energy: -107.073 tors. eta vs tors. theta energy: -218.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2111.786964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.786964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.786964 (E_RNA) where: Base-Base interactions energy: -1416.419 where: short stacking energy: -629.452 Base-Backbone interact. energy: 2.924 local terms energy: -698.291953 where: bonds (distance) C4'-P energy: -135.010 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -147.151 flat angles P-C4'-P energy: -82.821 tors. eta vs tors. theta energy: -193.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1905.572830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.572830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.572830 (E_RNA) where: Base-Base interactions energy: -1245.779 where: short stacking energy: -568.859 Base-Backbone interact. energy: 1.368 local terms energy: -661.162366 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -129.843 flat angles C4'-P-C4' energy: -143.996 flat angles P-C4'-P energy: -107.066 tors. eta vs tors. theta energy: -153.504 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: 199 Temperature: 1.200000 Total energy: -1589.771518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.771518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.771518 (E_RNA) where: Base-Base interactions energy: -994.878 where: short stacking energy: -443.119 Base-Backbone interact. energy: -0.546 local terms energy: -594.347506 where: bonds (distance) C4'-P energy: -111.432 bonds (distance) P-C4' energy: -141.479 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -85.719 tors. eta vs tors. theta energy: -109.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1268.654783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.654783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.654783 (E_RNA) where: Base-Base interactions energy: -754.697 where: short stacking energy: -364.777 Base-Backbone interact. energy: 1.071 local terms energy: -515.028878 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -122.484 flat angles C4'-P-C4' energy: -126.450 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -73.933 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: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -724.197226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.197226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.197226 (E_RNA) where: Base-Base interactions energy: -333.171 where: short stacking energy: -203.831 Base-Backbone interact. energy: 2.181 local terms energy: -393.206685 where: bonds (distance) C4'-P energy: -92.196 bonds (distance) P-C4' energy: -135.011 flat angles C4'-P-C4' energy: -106.712 flat angles P-C4'-P energy: -70.465 tors. eta vs tors. theta energy: 11.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -712.123589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.123589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.123589 (E_RNA) where: Base-Base interactions energy: -354.007 where: short stacking energy: -218.061 Base-Backbone interact. energy: -2.932 local terms energy: -355.185516 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -129.269 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: 18.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2577.258029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.258029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.258029 (E_RNA) where: Base-Base interactions energy: -1751.512 where: short stacking energy: -753.132 Base-Backbone interact. energy: -2.136 local terms energy: -823.610646 where: bonds (distance) C4'-P energy: -154.150 bonds (distance) P-C4' energy: -148.928 flat angles C4'-P-C4' energy: -180.229 flat angles P-C4'-P energy: -113.742 tors. eta vs tors. theta energy: -226.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2503.106564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.106564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.106564 (E_RNA) where: Base-Base interactions energy: -1722.629 where: short stacking energy: -727.091 Base-Backbone interact. energy: -1.773 local terms energy: -778.705125 where: bonds (distance) C4'-P energy: -139.751 bonds (distance) P-C4' energy: -148.617 flat angles C4'-P-C4' energy: -168.530 flat angles P-C4'-P energy: -103.532 tors. eta vs tors. theta energy: -218.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2404.519545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.519545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.519545 (E_RNA) where: Base-Base interactions energy: -1673.675 where: short stacking energy: -702.057 Base-Backbone interact. energy: -4.980 local terms energy: -725.864301 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -138.170 flat angles C4'-P-C4' energy: -163.174 flat angles P-C4'-P energy: -101.574 tors. eta vs tors. theta energy: -191.852 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: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2290.456672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.456672 (E_RNA) where: Base-Base interactions energy: -1541.600 where: short stacking energy: -651.452 Base-Backbone interact. energy: -3.066 local terms energy: -745.790546 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -133.698 flat angles C4'-P-C4' energy: -150.372 flat angles P-C4'-P energy: -113.610 tors. eta vs tors. theta energy: -210.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2177.318188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.318188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.318188 (E_RNA) where: Base-Base interactions energy: -1494.150 where: short stacking energy: -622.037 Base-Backbone interact. energy: -3.215 local terms energy: -679.953337 where: bonds (distance) C4'-P energy: -130.334 bonds (distance) P-C4' energy: -133.181 flat angles C4'-P-C4' energy: -153.649 flat angles P-C4'-P energy: -80.744 tors. eta vs tors. theta energy: -182.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1867.020142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.020142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.020142 (E_RNA) where: Base-Base interactions energy: -1229.329 where: short stacking energy: -529.975 Base-Backbone interact. energy: -0.816 local terms energy: -636.875344 where: bonds (distance) C4'-P energy: -117.760 bonds (distance) P-C4' energy: -131.396 flat angles C4'-P-C4' energy: -147.142 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -153.749 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: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1614.171256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.171256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.171256 (E_RNA) where: Base-Base interactions energy: -1025.771 where: short stacking energy: -463.149 Base-Backbone interact. energy: -2.848 local terms energy: -585.552376 where: bonds (distance) C4'-P energy: -126.227 bonds (distance) P-C4' energy: -130.671 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -85.870 tors. eta vs tors. theta energy: -112.967 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: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1244.138470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.138470 (E_RNA) where: Base-Base interactions energy: -725.225 where: short stacking energy: -322.154 Base-Backbone interact. energy: 0.940 local terms energy: -519.853251 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -138.881 flat angles P-C4'-P energy: -75.523 tors. eta vs tors. theta energy: -42.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -747.013149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.013149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.013149 (E_RNA) where: Base-Base interactions energy: -329.918 where: short stacking energy: -197.767 Base-Backbone interact. energy: -0.299 local terms energy: -416.796320 where: bonds (distance) C4'-P energy: -108.717 bonds (distance) P-C4' energy: -130.075 flat angles C4'-P-C4' energy: -116.760 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: 20.344 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: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -659.020508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.020508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.020508 (E_RNA) where: Base-Base interactions energy: -260.755 where: short stacking energy: -173.416 Base-Backbone interact. energy: 5.278 local terms energy: -403.543516 where: bonds (distance) C4'-P energy: -136.809 bonds (distance) P-C4' energy: -116.526 flat angles C4'-P-C4' energy: -113.836 flat angles P-C4'-P energy: -63.917 tors. eta vs tors. theta energy: 27.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2612.639138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.639138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.639138 (E_RNA) where: Base-Base interactions energy: -1764.763 where: short stacking energy: -755.403 Base-Backbone interact. energy: -1.408 local terms energy: -846.468030 where: bonds (distance) C4'-P energy: -166.070 bonds (distance) P-C4' energy: -142.767 flat angles C4'-P-C4' energy: -174.644 flat angles P-C4'-P energy: -124.010 tors. eta vs tors. theta energy: -238.977 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: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2492.855331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.855331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.855331 (E_RNA) where: Base-Base interactions energy: -1685.431 where: short stacking energy: -734.553 Base-Backbone interact. energy: -2.213 local terms energy: -805.211038 where: bonds (distance) C4'-P energy: -148.352 bonds (distance) P-C4' energy: -150.541 flat angles C4'-P-C4' energy: -177.432 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -220.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2353.457231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.457231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.457231 (E_RNA) where: Base-Base interactions energy: -1610.830 where: short stacking energy: -639.208 Base-Backbone interact. energy: -1.036 local terms energy: -741.591478 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -157.177 flat angles C4'-P-C4' energy: -156.821 flat angles P-C4'-P energy: -109.742 tors. eta vs tors. theta energy: -196.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2269.454132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.454132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.454132 (E_RNA) where: Base-Base interactions energy: -1523.779 where: short stacking energy: -673.861 Base-Backbone interact. energy: -1.191 local terms energy: -744.483689 where: bonds (distance) C4'-P energy: -143.608 bonds (distance) P-C4' energy: -136.928 flat angles C4'-P-C4' energy: -153.869 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -214.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2194.617580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.617580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.617580 (E_RNA) where: Base-Base interactions energy: -1479.325 where: short stacking energy: -625.537 Base-Backbone interact. energy: -3.328 local terms energy: -711.964161 where: bonds (distance) C4'-P energy: -148.014 bonds (distance) P-C4' energy: -127.834 flat angles C4'-P-C4' energy: -154.502 flat angles P-C4'-P energy: -87.363 tors. eta vs tors. theta energy: -194.250 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: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1835.049626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.049626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.049626 (E_RNA) where: Base-Base interactions energy: -1196.574 where: short stacking energy: -515.141 Base-Backbone interact. energy: -1.942 local terms energy: -636.533588 where: bonds (distance) C4'-P energy: -125.643 bonds (distance) P-C4' energy: -144.974 flat angles C4'-P-C4' energy: -143.127 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -136.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1551.525813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.525813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.525813 (E_RNA) where: Base-Base interactions energy: -952.823 where: short stacking energy: -456.206 Base-Backbone interact. energy: -3.301 local terms energy: -595.402226 where: bonds (distance) C4'-P energy: -125.574 bonds (distance) P-C4' energy: -125.333 flat angles C4'-P-C4' energy: -150.331 flat angles P-C4'-P energy: -82.555 tors. eta vs tors. theta energy: -111.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1140.248369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.248369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.248369 (E_RNA) where: Base-Base interactions energy: -641.139 where: short stacking energy: -319.203 Base-Backbone interact. energy: 5.305 local terms energy: -504.415128 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -127.882 flat angles C4'-P-C4' energy: -130.668 flat angles P-C4'-P energy: -75.441 tors. eta vs tors. theta energy: -45.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -899.156794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.156794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.156794 (E_RNA) where: Base-Base interactions energy: -437.285 where: short stacking energy: -258.679 Base-Backbone interact. energy: -2.904 local terms energy: -458.967585 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -127.147 flat angles C4'-P-C4' energy: -111.066 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -19.078 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: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -539.658516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.658516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.658516 (E_RNA) where: Base-Base interactions energy: -154.411 where: short stacking energy: -125.762 Base-Backbone interact. energy: -0.713 local terms energy: -384.533714 where: bonds (distance) C4'-P energy: -135.837 bonds (distance) P-C4' energy: -129.283 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: 44.663 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: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2593.331914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.331914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.331914 (E_RNA) where: Base-Base interactions energy: -1769.904 where: short stacking energy: -759.161 Base-Backbone interact. energy: -5.885 local terms energy: -817.543060 where: bonds (distance) C4'-P energy: -152.415 bonds (distance) P-C4' energy: -146.644 flat angles C4'-P-C4' energy: -174.441 flat angles P-C4'-P energy: -106.458 tors. eta vs tors. theta energy: -237.585 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: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2509.012811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.012811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.012811 (E_RNA) where: Base-Base interactions energy: -1712.471 where: short stacking energy: -728.607 Base-Backbone interact. energy: -5.631 local terms energy: -790.911141 where: bonds (distance) C4'-P energy: -142.391 bonds (distance) P-C4' energy: -141.334 flat angles C4'-P-C4' energy: -168.619 flat angles P-C4'-P energy: -116.359 tors. eta vs tors. theta energy: -222.208 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2406.647346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.647346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.647346 (E_RNA) where: Base-Base interactions energy: -1656.561 where: short stacking energy: -694.066 Base-Backbone interact. energy: -3.744 local terms energy: -746.342030 where: bonds (distance) C4'-P energy: -133.220 bonds (distance) P-C4' energy: -147.962 flat angles C4'-P-C4' energy: -170.156 flat angles P-C4'-P energy: -98.495 tors. eta vs tors. theta energy: -196.509 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: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2312.191477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.191477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.191477 (E_RNA) where: Base-Base interactions energy: -1540.324 where: short stacking energy: -681.343 Base-Backbone interact. energy: -1.733 local terms energy: -770.134241 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -153.015 flat angles C4'-P-C4' energy: -170.179 flat angles P-C4'-P energy: -94.011 tors. eta vs tors. theta energy: -211.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2137.550821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.550821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.550821 (E_RNA) where: Base-Base interactions energy: -1468.239 where: short stacking energy: -614.321 Base-Backbone interact. energy: -3.495 local terms energy: -665.816990 where: bonds (distance) C4'-P energy: -129.762 bonds (distance) P-C4' energy: -132.911 flat angles C4'-P-C4' energy: -134.784 flat angles P-C4'-P energy: -100.924 tors. eta vs tors. theta energy: -167.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1873.922429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.922429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.922429 (E_RNA) where: Base-Base interactions energy: -1231.826 where: short stacking energy: -557.405 Base-Backbone interact. energy: -3.016 local terms energy: -639.080416 where: bonds (distance) C4'-P energy: -121.137 bonds (distance) P-C4' energy: -124.286 flat angles C4'-P-C4' energy: -142.894 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -148.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1475.693782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.693782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.693782 (E_RNA) where: Base-Base interactions energy: -926.750 where: short stacking energy: -420.781 Base-Backbone interact. energy: -2.388 local terms energy: -546.555377 where: bonds (distance) C4'-P energy: -127.432 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -79.908 tors. eta vs tors. theta energy: -81.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1146.094211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.094211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.094211 (E_RNA) where: Base-Base interactions energy: -654.029 where: short stacking energy: -333.527 Base-Backbone interact. energy: 4.020 local terms energy: -496.086100 where: bonds (distance) C4'-P energy: -123.521 bonds (distance) P-C4' energy: -126.243 flat angles C4'-P-C4' energy: -139.894 flat angles P-C4'-P energy: -58.831 tors. eta vs tors. theta energy: -47.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -830.892204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.892204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.892204 (E_RNA) where: Base-Base interactions energy: -397.014 where: short stacking energy: -245.400 Base-Backbone interact. energy: 9.602 local terms energy: -443.480077 where: bonds (distance) C4'-P energy: -123.666 bonds (distance) P-C4' energy: -126.235 flat angles C4'-P-C4' energy: -117.018 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -572.296146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.296146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.296146 (E_RNA) where: Base-Base interactions energy: -192.598 where: short stacking energy: -124.565 Base-Backbone interact. energy: -2.742 local terms energy: -376.956439 where: bonds (distance) C4'-P energy: -127.055 bonds (distance) P-C4' energy: -121.030 flat angles C4'-P-C4' energy: -102.426 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: 19.912 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: 203 Temperature: 0.900000 Total energy: -2577.006017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.006017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.006017 (E_RNA) where: Base-Base interactions energy: -1759.174 where: short stacking energy: -778.935 Base-Backbone interact. energy: -0.959 local terms energy: -816.872571 where: bonds (distance) C4'-P energy: -148.575 bonds (distance) P-C4' energy: -142.405 flat angles C4'-P-C4' energy: -182.713 flat angles P-C4'-P energy: -104.515 tors. eta vs tors. theta energy: -238.664 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: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2527.214289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.214289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.214289 (E_RNA) where: Base-Base interactions energy: -1704.354 where: short stacking energy: -725.695 Base-Backbone interact. energy: -0.479 local terms energy: -822.381414 where: bonds (distance) C4'-P energy: -163.784 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -166.498 flat angles P-C4'-P energy: -112.308 tors. eta vs tors. theta energy: -225.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2372.223969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.223969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.223969 (E_RNA) where: Base-Base interactions energy: -1648.421 where: short stacking energy: -698.166 Base-Backbone interact. energy: -3.042 local terms energy: -720.760731 where: bonds (distance) C4'-P energy: -124.413 bonds (distance) P-C4' energy: -131.702 flat angles C4'-P-C4' energy: -159.013 flat angles P-C4'-P energy: -109.181 tors. eta vs tors. theta energy: -196.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2298.932698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.932698 (E_RNA) where: Base-Base interactions energy: -1552.389 where: short stacking energy: -681.188 Base-Backbone interact. energy: 0.548 local terms energy: -747.091686 where: bonds (distance) C4'-P energy: -132.570 bonds (distance) P-C4' energy: -142.475 flat angles C4'-P-C4' energy: -162.312 flat angles P-C4'-P energy: -107.574 tors. eta vs tors. theta energy: -202.160 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: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2147.068253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.068253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.068253 (E_RNA) where: Base-Base interactions energy: -1445.982 where: short stacking energy: -606.194 Base-Backbone interact. energy: 1.794 local terms energy: -702.880394 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -151.916 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -95.519 tors. eta vs tors. theta energy: -171.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1895.171072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.171072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.171072 (E_RNA) where: Base-Base interactions energy: -1242.810 where: short stacking energy: -532.254 Base-Backbone interact. energy: -1.533 local terms energy: -650.828470 where: bonds (distance) C4'-P energy: -141.503 bonds (distance) P-C4' energy: -125.499 flat angles C4'-P-C4' energy: -154.536 flat angles P-C4'-P energy: -90.514 tors. eta vs tors. theta energy: -138.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1571.996933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.996933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.996933 (E_RNA) where: Base-Base interactions energy: -977.576 where: short stacking energy: -459.075 Base-Backbone interact. energy: -2.889 local terms energy: -591.531370 where: bonds (distance) C4'-P energy: -122.599 bonds (distance) P-C4' energy: -125.364 flat angles C4'-P-C4' energy: -132.313 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -123.702 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: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1208.938341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.938341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.938341 (E_RNA) where: Base-Base interactions energy: -717.691 where: short stacking energy: -366.426 Base-Backbone interact. energy: 3.137 local terms energy: -494.383805 where: bonds (distance) C4'-P energy: -113.277 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -127.432 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -70.585 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: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -816.864796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.864796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.864796 (E_RNA) where: Base-Base interactions energy: -371.429 where: short stacking energy: -222.509 Base-Backbone interact. energy: 3.071 local terms energy: -448.506631 where: bonds (distance) C4'-P energy: -116.335 bonds (distance) P-C4' energy: -138.545 flat angles C4'-P-C4' energy: -129.596 flat angles P-C4'-P energy: -79.912 tors. eta vs tors. theta energy: 15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -590.905915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.905915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.905915 (E_RNA) where: Base-Base interactions energy: -213.670 where: short stacking energy: -139.408 Base-Backbone interact. energy: -3.533 local terms energy: -373.703265 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -124.685 flat angles C4'-P-C4' energy: -96.469 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: 22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2566.041704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.041704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.041704 (E_RNA) where: Base-Base interactions energy: -1735.349 where: short stacking energy: -749.439 Base-Backbone interact. energy: -3.211 local terms energy: -827.482149 where: bonds (distance) C4'-P energy: -147.727 bonds (distance) P-C4' energy: -165.359 flat angles C4'-P-C4' energy: -168.973 flat angles P-C4'-P energy: -116.859 tors. eta vs tors. theta energy: -228.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2522.626754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.626754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.626754 (E_RNA) where: Base-Base interactions energy: -1698.134 where: short stacking energy: -723.461 Base-Backbone interact. energy: -1.646 local terms energy: -822.847302 where: bonds (distance) C4'-P energy: -144.592 bonds (distance) P-C4' energy: -161.076 flat angles C4'-P-C4' energy: -173.065 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -231.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2373.193734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.193734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.193734 (E_RNA) where: Base-Base interactions energy: -1640.762 where: short stacking energy: -671.937 Base-Backbone interact. energy: -3.158 local terms energy: -729.274324 where: bonds (distance) C4'-P energy: -150.342 bonds (distance) P-C4' energy: -123.542 flat angles C4'-P-C4' energy: -164.111 flat angles P-C4'-P energy: -93.591 tors. eta vs tors. theta energy: -197.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2246.751904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.751904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.751904 (E_RNA) where: Base-Base interactions energy: -1520.030 where: short stacking energy: -623.792 Base-Backbone interact. energy: 1.960 local terms energy: -728.681203 where: bonds (distance) C4'-P energy: -144.764 bonds (distance) P-C4' energy: -148.222 flat angles C4'-P-C4' energy: -152.889 flat angles P-C4'-P energy: -86.458 tors. eta vs tors. theta energy: -196.348 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: 204 Temperature: 1.100000 Total energy: -2163.088384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.088384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.088384 (E_RNA) where: Base-Base interactions energy: -1482.255 where: short stacking energy: -628.757 Base-Backbone interact. energy: -0.153 local terms energy: -680.679980 where: bonds (distance) C4'-P energy: -137.902 bonds (distance) P-C4' energy: -130.558 flat angles C4'-P-C4' energy: -149.234 flat angles P-C4'-P energy: -95.120 tors. eta vs tors. theta energy: -167.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1927.285639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.285639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.285639 (E_RNA) where: Base-Base interactions energy: -1263.402 where: short stacking energy: -566.760 Base-Backbone interact. energy: -1.592 local terms energy: -662.291251 where: bonds (distance) C4'-P energy: -129.886 bonds (distance) P-C4' energy: -137.390 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -154.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1603.115067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.115067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.115067 (E_RNA) where: Base-Base interactions energy: -1025.105 where: short stacking energy: -459.757 Base-Backbone interact. energy: -1.142 local terms energy: -576.867992 where: bonds (distance) C4'-P energy: -118.531 bonds (distance) P-C4' energy: -133.948 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -85.363 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: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1241.363468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.363468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.363468 (E_RNA) where: Base-Base interactions energy: -718.320 where: short stacking energy: -356.193 Base-Backbone interact. energy: -1.456 local terms energy: -521.587364 where: bonds (distance) C4'-P energy: -137.237 bonds (distance) P-C4' energy: -123.560 flat angles C4'-P-C4' energy: -104.536 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -74.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -809.358672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.358672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.358672 (E_RNA) where: Base-Base interactions energy: -380.758 where: short stacking energy: -244.462 Base-Backbone interact. energy: -2.910 local terms energy: -425.691080 where: bonds (distance) C4'-P energy: -111.247 bonds (distance) P-C4' energy: -125.476 flat angles C4'-P-C4' energy: -121.624 flat angles P-C4'-P energy: -73.219 tors. eta vs tors. theta energy: 5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -560.173358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.173358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.173358 (E_RNA) where: Base-Base interactions energy: -192.897 where: short stacking energy: -150.135 Base-Backbone interact. energy: -1.390 local terms energy: -365.887050 where: bonds (distance) C4'-P energy: -119.674 bonds (distance) P-C4' energy: -122.380 flat angles C4'-P-C4' energy: -100.600 flat angles P-C4'-P energy: -56.345 tors. eta vs tors. theta energy: 33.112 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: 205 Temperature: 0.900000 Total energy: -2582.898227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.898227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.898227 (E_RNA) where: Base-Base interactions energy: -1748.540 where: short stacking energy: -744.382 Base-Backbone interact. energy: 1.572 local terms energy: -835.930489 where: bonds (distance) C4'-P energy: -140.732 bonds (distance) P-C4' energy: -164.566 flat angles C4'-P-C4' energy: -175.976 flat angles P-C4'-P energy: -128.728 tors. eta vs tors. theta energy: -225.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2518.854501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.854501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.854501 (E_RNA) where: Base-Base interactions energy: -1696.318 where: short stacking energy: -725.279 Base-Backbone interact. energy: -1.957 local terms energy: -820.579685 where: bonds (distance) C4'-P energy: -149.672 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -169.844 flat angles P-C4'-P energy: -121.737 tors. eta vs tors. theta energy: -226.980 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: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2360.571883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.571883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.571883 (E_RNA) where: Base-Base interactions energy: -1592.709 where: short stacking energy: -651.603 Base-Backbone interact. energy: -3.221 local terms energy: -764.641611 where: bonds (distance) C4'-P energy: -147.476 bonds (distance) P-C4' energy: -151.215 flat angles C4'-P-C4' energy: -170.197 flat angles P-C4'-P energy: -101.717 tors. eta vs tors. theta energy: -194.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2226.961715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.961715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.961715 (E_RNA) where: Base-Base interactions energy: -1497.096 where: short stacking energy: -668.763 Base-Backbone interact. energy: 2.691 local terms energy: -732.556787 where: bonds (distance) C4'-P energy: -125.663 bonds (distance) P-C4' energy: -145.385 flat angles C4'-P-C4' energy: -156.515 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -204.641 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: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2191.049628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.049628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.049628 (E_RNA) where: Base-Base interactions energy: -1504.603 where: short stacking energy: -627.605 Base-Backbone interact. energy: -0.165 local terms energy: -686.281596 where: bonds (distance) C4'-P energy: -114.117 bonds (distance) P-C4' energy: -134.613 flat angles C4'-P-C4' energy: -147.715 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -190.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1921.499580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.499580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.499580 (E_RNA) where: Base-Base interactions energy: -1294.968 where: short stacking energy: -559.096 Base-Backbone interact. energy: -2.550 local terms energy: -623.982054 where: bonds (distance) C4'-P energy: -122.734 bonds (distance) P-C4' energy: -119.696 flat angles C4'-P-C4' energy: -148.639 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -150.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1621.657648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.657648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.657648 (E_RNA) where: Base-Base interactions energy: -1047.479 where: short stacking energy: -459.206 Base-Backbone interact. energy: -0.148 local terms energy: -574.030627 where: bonds (distance) C4'-P energy: -137.994 bonds (distance) P-C4' energy: -126.315 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -113.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1278.566932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.566932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.566932 (E_RNA) where: Base-Base interactions energy: -759.479 where: short stacking energy: -367.382 Base-Backbone interact. energy: -1.790 local terms energy: -517.298746 where: bonds (distance) C4'-P energy: -116.393 bonds (distance) P-C4' energy: -130.114 flat angles C4'-P-C4' energy: -128.733 flat angles P-C4'-P energy: -81.119 tors. eta vs tors. theta energy: -60.939 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -786.529879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.529879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.529879 (E_RNA) where: Base-Base interactions energy: -394.968 where: short stacking energy: -185.398 Base-Backbone interact. energy: 3.498 local terms energy: -395.059702 where: bonds (distance) C4'-P energy: -113.954 bonds (distance) P-C4' energy: -123.577 flat angles C4'-P-C4' energy: -107.382 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: 12.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -556.245369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.245369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.245369 (E_RNA) where: Base-Base interactions energy: -203.461 where: short stacking energy: -135.418 Base-Backbone interact. energy: 23.869 local terms energy: -376.653326 where: bonds (distance) C4'-P energy: -108.022 bonds (distance) P-C4' energy: -123.109 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -87.806 tors. eta vs tors. theta energy: 31.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2624.285494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.285494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.285494 (E_RNA) where: Base-Base interactions energy: -1800.437 where: short stacking energy: -750.561 Base-Backbone interact. energy: -1.189 local terms energy: -822.659147 where: bonds (distance) C4'-P energy: -141.980 bonds (distance) P-C4' energy: -141.511 flat angles C4'-P-C4' energy: -173.079 flat angles P-C4'-P energy: -132.700 tors. eta vs tors. theta energy: -233.389 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: 206 Temperature: 0.950000 Total energy: -2514.078706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.078706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.078706 (E_RNA) where: Base-Base interactions energy: -1728.864 where: short stacking energy: -746.391 Base-Backbone interact. energy: -2.407 local terms energy: -782.807640 where: bonds (distance) C4'-P energy: -148.553 bonds (distance) P-C4' energy: -135.906 flat angles C4'-P-C4' energy: -173.906 flat angles P-C4'-P energy: -100.054 tors. eta vs tors. theta energy: -224.388 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: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2359.630114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.630114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.630114 (E_RNA) where: Base-Base interactions energy: -1643.366 where: short stacking energy: -677.338 Base-Backbone interact. energy: 2.797 local terms energy: -719.060591 where: bonds (distance) C4'-P energy: -143.436 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -96.153 tors. eta vs tors. theta energy: -191.607 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: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2200.539275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.539275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.539275 (E_RNA) where: Base-Base interactions energy: -1460.957 where: short stacking energy: -631.215 Base-Backbone interact. energy: -2.727 local terms energy: -736.855273 where: bonds (distance) C4'-P energy: -121.975 bonds (distance) P-C4' energy: -136.943 flat angles C4'-P-C4' energy: -157.283 flat angles P-C4'-P energy: -118.058 tors. eta vs tors. theta energy: -202.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2216.632798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.632798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.632798 (E_RNA) where: Base-Base interactions energy: -1495.389 where: short stacking energy: -611.265 Base-Backbone interact. energy: 1.797 local terms energy: -723.040412 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -154.422 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -182.481 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: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1956.717960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.717960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.717960 (E_RNA) where: Base-Base interactions energy: -1280.748 where: short stacking energy: -560.375 Base-Backbone interact. energy: -1.779 local terms energy: -674.191210 where: bonds (distance) C4'-P energy: -123.201 bonds (distance) P-C4' energy: -149.016 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -94.542 tors. eta vs tors. theta energy: -155.978 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: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1609.907727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.907727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.907727 (E_RNA) where: Base-Base interactions energy: -1042.087 where: short stacking energy: -450.489 Base-Backbone interact. energy: -6.250 local terms energy: -561.570521 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -124.704 flat angles C4'-P-C4' energy: -140.583 flat angles P-C4'-P energy: -67.175 tors. eta vs tors. theta energy: -106.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1312.628527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.628527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.628527 (E_RNA) where: Base-Base interactions energy: -807.383 where: short stacking energy: -365.879 Base-Backbone interact. energy: -4.893 local terms energy: -500.352215 where: bonds (distance) C4'-P energy: -122.947 bonds (distance) P-C4' energy: -127.677 flat angles C4'-P-C4' energy: -101.840 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -70.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -801.958468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.958468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.958468 (E_RNA) where: Base-Base interactions energy: -416.237 where: short stacking energy: -206.239 Base-Backbone interact. energy: 1.993 local terms energy: -387.714519 where: bonds (distance) C4'-P energy: -107.952 bonds (distance) P-C4' energy: -123.838 flat angles C4'-P-C4' energy: -120.626 flat angles P-C4'-P energy: -56.245 tors. eta vs tors. theta energy: 20.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -631.664730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.664730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.664730 (E_RNA) where: Base-Base interactions energy: -265.367 where: short stacking energy: -156.736 Base-Backbone interact. energy: 0.810 local terms energy: -367.107477 where: bonds (distance) C4'-P energy: -130.994 bonds (distance) P-C4' energy: -141.657 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: 42.693 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: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2634.750444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.750444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.750444 (E_RNA) where: Base-Base interactions energy: -1794.613 where: short stacking energy: -787.538 Base-Backbone interact. energy: -1.848 local terms energy: -838.290108 where: bonds (distance) C4'-P energy: -157.677 bonds (distance) P-C4' energy: -161.084 flat angles C4'-P-C4' energy: -170.544 flat angles P-C4'-P energy: -105.733 tors. eta vs tors. theta energy: -243.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2512.440957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.440957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.440957 (E_RNA) where: Base-Base interactions energy: -1715.826 where: short stacking energy: -742.883 Base-Backbone interact. energy: -1.321 local terms energy: -795.294011 where: bonds (distance) C4'-P energy: -134.341 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -183.473 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -226.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2395.692983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.692983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.692983 (E_RNA) where: Base-Base interactions energy: -1639.037 where: short stacking energy: -672.108 Base-Backbone interact. energy: -5.771 local terms energy: -750.885230 where: bonds (distance) C4'-P energy: -140.853 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -162.593 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -200.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2263.581080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.581080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.581080 (E_RNA) where: Base-Base interactions energy: -1547.212 where: short stacking energy: -627.331 Base-Backbone interact. energy: 1.104 local terms energy: -717.472820 where: bonds (distance) C4'-P energy: -134.424 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -160.744 flat angles P-C4'-P energy: -100.248 tors. eta vs tors. theta energy: -189.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2136.268168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.268168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.268168 (E_RNA) where: Base-Base interactions energy: -1451.385 where: short stacking energy: -622.831 Base-Backbone interact. energy: 2.647 local terms energy: -687.530247 where: bonds (distance) C4'-P energy: -140.714 bonds (distance) P-C4' energy: -111.936 flat angles C4'-P-C4' energy: -164.176 flat angles P-C4'-P energy: -93.688 tors. eta vs tors. theta energy: -177.016 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: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1921.349002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.349002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.349002 (E_RNA) where: Base-Base interactions energy: -1229.703 where: short stacking energy: -546.376 Base-Backbone interact. energy: -1.388 local terms energy: -690.258675 where: bonds (distance) C4'-P energy: -147.029 bonds (distance) P-C4' energy: -142.181 flat angles C4'-P-C4' energy: -145.047 flat angles P-C4'-P energy: -101.361 tors. eta vs tors. theta energy: -154.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1643.059230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.059230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.059230 (E_RNA) where: Base-Base interactions energy: -1055.754 where: short stacking energy: -451.386 Base-Backbone interact. energy: -0.441 local terms energy: -586.865021 where: bonds (distance) C4'-P energy: -137.592 bonds (distance) P-C4' energy: -133.072 flat angles C4'-P-C4' energy: -136.884 flat angles P-C4'-P energy: -89.602 tors. eta vs tors. theta energy: -89.715 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: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1237.575345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.575345 (E_RNA) where: Base-Base interactions energy: -762.708 where: short stacking energy: -358.376 Base-Backbone interact. energy: -0.643 local terms energy: -474.224309 where: bonds (distance) C4'-P energy: -116.419 bonds (distance) P-C4' energy: -115.876 flat angles C4'-P-C4' energy: -127.436 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -55.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -828.372230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.372230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.372230 (E_RNA) where: Base-Base interactions energy: -429.660 where: short stacking energy: -234.461 Base-Backbone interact. energy: 0.506 local terms energy: -399.217883 where: bonds (distance) C4'-P energy: -118.373 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -59.875 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -618.568712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.568712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.568712 (E_RNA) where: Base-Base interactions energy: -249.333 where: short stacking energy: -173.884 Base-Backbone interact. energy: -0.128 local terms energy: -369.108236 where: bonds (distance) C4'-P energy: -128.444 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -97.526 flat angles P-C4'-P energy: -55.556 tors. eta vs tors. theta energy: 42.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2581.209063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.209063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.209063 (E_RNA) where: Base-Base interactions energy: -1754.086 where: short stacking energy: -779.410 Base-Backbone interact. energy: 0.025 local terms energy: -827.148377 where: bonds (distance) C4'-P energy: -138.832 bonds (distance) P-C4' energy: -153.373 flat angles C4'-P-C4' energy: -179.166 flat angles P-C4'-P energy: -116.138 tors. eta vs tors. theta energy: -239.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2539.980363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.980363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.980363 (E_RNA) where: Base-Base interactions energy: -1733.974 where: short stacking energy: -709.053 Base-Backbone interact. energy: -3.725 local terms energy: -802.281624 where: bonds (distance) C4'-P energy: -152.260 bonds (distance) P-C4' energy: -152.062 flat angles C4'-P-C4' energy: -169.280 flat angles P-C4'-P energy: -112.854 tors. eta vs tors. theta energy: -215.825 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: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2345.989743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.989743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.989743 (E_RNA) where: Base-Base interactions energy: -1611.984 where: short stacking energy: -653.040 Base-Backbone interact. energy: -3.171 local terms energy: -730.834794 where: bonds (distance) C4'-P energy: -132.528 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -174.267 flat angles P-C4'-P energy: -100.527 tors. eta vs tors. theta energy: -185.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2259.856289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.856289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.856289 (E_RNA) where: Base-Base interactions energy: -1512.421 where: short stacking energy: -653.947 Base-Backbone interact. energy: -1.009 local terms energy: -746.426238 where: bonds (distance) C4'-P energy: -137.258 bonds (distance) P-C4' energy: -142.372 flat angles C4'-P-C4' energy: -164.300 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -198.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2095.798807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.798807 (E_RNA) where: Base-Base interactions energy: -1399.333 where: short stacking energy: -601.623 Base-Backbone interact. energy: -1.422 local terms energy: -695.044124 where: bonds (distance) C4'-P energy: -129.415 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -138.997 flat angles P-C4'-P energy: -94.024 tors. eta vs tors. theta energy: -184.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1862.611657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.611657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.611657 (E_RNA) where: Base-Base interactions energy: -1212.788 where: short stacking energy: -545.063 Base-Backbone interact. energy: -0.435 local terms energy: -649.388110 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -136.778 flat angles C4'-P-C4' energy: -142.338 flat angles P-C4'-P energy: -93.637 tors. eta vs tors. theta energy: -139.208 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: 208 Temperature: 1.200000 Total energy: -1576.289789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.289789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.289789 (E_RNA) where: Base-Base interactions energy: -981.567 where: short stacking energy: -437.188 Base-Backbone interact. energy: 2.398 local terms energy: -597.121235 where: bonds (distance) C4'-P energy: -133.590 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -144.840 flat angles P-C4'-P energy: -84.637 tors. eta vs tors. theta energy: -96.854 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: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1273.603122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.603122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.603122 (E_RNA) where: Base-Base interactions energy: -782.464 where: short stacking energy: -355.632 Base-Backbone interact. energy: 0.286 local terms energy: -491.425038 where: bonds (distance) C4'-P energy: -126.156 bonds (distance) P-C4' energy: -124.822 flat angles C4'-P-C4' energy: -117.218 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -58.752 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -843.640639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.640639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.640639 (E_RNA) where: Base-Base interactions energy: -428.579 where: short stacking energy: -225.931 Base-Backbone interact. energy: 1.938 local terms energy: -416.999741 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -128.542 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -6.050 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: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -674.032759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.032759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.032759 (E_RNA) where: Base-Base interactions energy: -280.686 where: short stacking energy: -180.282 Base-Backbone interact. energy: 3.250 local terms energy: -396.596924 where: bonds (distance) C4'-P energy: -116.225 bonds (distance) P-C4' energy: -118.483 flat angles C4'-P-C4' energy: -113.161 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: 11.842 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: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2578.852452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.852452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.852452 (E_RNA) where: Base-Base interactions energy: -1764.020 where: short stacking energy: -744.472 Base-Backbone interact. energy: -1.653 local terms energy: -813.179136 where: bonds (distance) C4'-P energy: -153.910 bonds (distance) P-C4' energy: -155.846 flat angles C4'-P-C4' energy: -168.676 flat angles P-C4'-P energy: -105.695 tors. eta vs tors. theta energy: -229.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2552.454193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.454193 (E_RNA) where: Base-Base interactions energy: -1741.708 where: short stacking energy: -737.785 Base-Backbone interact. energy: 0.649 local terms energy: -811.395430 where: bonds (distance) C4'-P energy: -161.585 bonds (distance) P-C4' energy: -148.721 flat angles C4'-P-C4' energy: -169.068 flat angles P-C4'-P energy: -115.338 tors. eta vs tors. theta energy: -216.684 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: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2355.884277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.884277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.884277 (E_RNA) where: Base-Base interactions energy: -1590.779 where: short stacking energy: -648.022 Base-Backbone interact. energy: -3.042 local terms energy: -762.063617 where: bonds (distance) C4'-P energy: -145.166 bonds (distance) P-C4' energy: -160.226 flat angles C4'-P-C4' energy: -170.930 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -198.404 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: 209 Temperature: 1.050000 Total energy: -2297.488941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.488941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.488941 (E_RNA) where: Base-Base interactions energy: -1565.837 where: short stacking energy: -674.310 Base-Backbone interact. energy: 0.683 local terms energy: -732.334871 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -137.385 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -204.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2106.790125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.790125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.790125 (E_RNA) where: Base-Base interactions energy: -1401.175 where: short stacking energy: -590.975 Base-Backbone interact. energy: -0.787 local terms energy: -704.828713 where: bonds (distance) C4'-P energy: -145.890 bonds (distance) P-C4' energy: -148.745 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -99.572 tors. eta vs tors. theta energy: -169.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1901.705559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.705559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.705559 (E_RNA) where: Base-Base interactions energy: -1261.192 where: short stacking energy: -557.375 Base-Backbone interact. energy: -2.258 local terms energy: -638.255333 where: bonds (distance) C4'-P energy: -109.709 bonds (distance) P-C4' energy: -112.501 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -159.685 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: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1554.746402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.746402 (E_RNA) where: Base-Base interactions energy: -989.344 where: short stacking energy: -434.487 Base-Backbone interact. energy: -0.151 local terms energy: -565.251490 where: bonds (distance) C4'-P energy: -126.735 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -75.360 tors. eta vs tors. theta energy: -95.043 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: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1320.694557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.694557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.694557 (E_RNA) where: Base-Base interactions energy: -781.371 where: short stacking energy: -357.349 Base-Backbone interact. energy: -5.049 local terms energy: -534.275057 where: bonds (distance) C4'-P energy: -131.202 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -138.430 flat angles P-C4'-P energy: -65.160 tors. eta vs tors. theta energy: -73.598 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -877.281879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.281879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.281879 (E_RNA) where: Base-Base interactions energy: -433.755 where: short stacking energy: -232.788 Base-Backbone interact. energy: -2.205 local terms energy: -441.321928 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -125.391 flat angles C4'-P-C4' energy: -102.266 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -6.698 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: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -659.464166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.464166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.464166 (E_RNA) where: Base-Base interactions energy: -299.686 where: short stacking energy: -211.624 Base-Backbone interact. energy: 5.998 local terms energy: -365.776784 where: bonds (distance) C4'-P energy: -115.534 bonds (distance) P-C4' energy: -118.919 flat angles C4'-P-C4' energy: -107.389 flat angles P-C4'-P energy: -45.638 tors. eta vs tors. theta energy: 21.704 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: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2590.303006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.303006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.303006 (E_RNA) where: Base-Base interactions energy: -1762.000 where: short stacking energy: -725.206 Base-Backbone interact. energy: -4.128 local terms energy: -824.174285 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -178.370 flat angles P-C4'-P energy: -109.671 tors. eta vs tors. theta energy: -212.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2553.822589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.822589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.822589 (E_RNA) where: Base-Base interactions energy: -1735.896 where: short stacking energy: -747.222 Base-Backbone interact. energy: 3.254 local terms energy: -821.180054 where: bonds (distance) C4'-P energy: -161.608 bonds (distance) P-C4' energy: -159.191 flat angles C4'-P-C4' energy: -165.416 flat angles P-C4'-P energy: -101.926 tors. eta vs tors. theta energy: -233.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2372.197916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.197916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.197916 (E_RNA) where: Base-Base interactions energy: -1635.273 where: short stacking energy: -673.640 Base-Backbone interact. energy: 1.265 local terms energy: -738.190049 where: bonds (distance) C4'-P energy: -143.298 bonds (distance) P-C4' energy: -143.404 flat angles C4'-P-C4' energy: -167.219 flat angles P-C4'-P energy: -96.795 tors. eta vs tors. theta energy: -187.475 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: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2272.235111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.235111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.235111 (E_RNA) where: Base-Base interactions energy: -1531.888 where: short stacking energy: -652.086 Base-Backbone interact. energy: 1.619 local terms energy: -741.965750 where: bonds (distance) C4'-P energy: -125.084 bonds (distance) P-C4' energy: -150.091 flat angles C4'-P-C4' energy: -167.928 flat angles P-C4'-P energy: -97.727 tors. eta vs tors. theta energy: -201.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2241.634205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.634205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.634205 (E_RNA) where: Base-Base interactions energy: -1503.092 where: short stacking energy: -667.365 Base-Backbone interact. energy: -5.143 local terms energy: -733.399829 where: bonds (distance) C4'-P energy: -122.902 bonds (distance) P-C4' energy: -151.501 flat angles C4'-P-C4' energy: -147.556 flat angles P-C4'-P energy: -104.021 tors. eta vs tors. theta energy: -207.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1867.214540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.214540 (E_RNA) where: Base-Base interactions energy: -1236.276 where: short stacking energy: -542.915 Base-Backbone interact. energy: 0.087 local terms energy: -631.026153 where: bonds (distance) C4'-P energy: -129.189 bonds (distance) P-C4' energy: -128.041 flat angles C4'-P-C4' energy: -144.525 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -137.449 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: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1561.007213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.007213 (E_RNA) where: Base-Base interactions energy: -995.688 where: short stacking energy: -441.800 Base-Backbone interact. energy: 10.244 local terms energy: -575.563040 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -150.556 flat angles C4'-P-C4' energy: -130.127 flat angles P-C4'-P energy: -73.068 tors. eta vs tors. theta energy: -103.654 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: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1240.725782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.725782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.725782 (E_RNA) where: Base-Base interactions energy: -731.864 where: short stacking energy: -330.945 Base-Backbone interact. energy: -3.241 local terms energy: -505.620704 where: bonds (distance) C4'-P energy: -108.395 bonds (distance) P-C4' energy: -128.970 flat angles C4'-P-C4' energy: -133.350 flat angles P-C4'-P energy: -71.358 tors. eta vs tors. theta energy: -63.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -846.924662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.924662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.924662 (E_RNA) where: Base-Base interactions energy: -429.050 where: short stacking energy: -236.371 Base-Backbone interact. energy: -1.885 local terms energy: -415.989430 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -67.421 tors. eta vs tors. theta energy: 9.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -662.720433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.720433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.720433 (E_RNA) where: Base-Base interactions energy: -285.009 where: short stacking energy: -177.620 Base-Backbone interact. energy: 1.223 local terms energy: -378.934059 where: bonds (distance) C4'-P energy: -127.962 bonds (distance) P-C4' energy: -127.429 flat angles C4'-P-C4' energy: -86.541 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: 26.532 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: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2569.040040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.040040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.040040 (E_RNA) where: Base-Base interactions energy: -1753.834 where: short stacking energy: -742.114 Base-Backbone interact. energy: -1.774 local terms energy: -813.432198 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -154.943 flat angles C4'-P-C4' energy: -167.343 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -233.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2532.702727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.702727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.702727 (E_RNA) where: Base-Base interactions energy: -1712.658 where: short stacking energy: -719.748 Base-Backbone interact. energy: -0.575 local terms energy: -819.469759 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -151.751 flat angles C4'-P-C4' energy: -181.496 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -226.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2358.982552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.982552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.982552 (E_RNA) where: Base-Base interactions energy: -1624.512 where: short stacking energy: -642.419 Base-Backbone interact. energy: -1.509 local terms energy: -732.961557 where: bonds (distance) C4'-P energy: -134.385 bonds (distance) P-C4' energy: -148.954 flat angles C4'-P-C4' energy: -163.091 flat angles P-C4'-P energy: -101.760 tors. eta vs tors. theta energy: -184.773 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: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2305.044900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.044900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.044900 (E_RNA) where: Base-Base interactions energy: -1553.056 where: short stacking energy: -673.104 Base-Backbone interact. energy: -0.477 local terms energy: -751.511826 where: bonds (distance) C4'-P energy: -129.946 bonds (distance) P-C4' energy: -149.493 flat angles C4'-P-C4' energy: -158.725 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -214.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2232.131675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.131675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.131675 (E_RNA) where: Base-Base interactions energy: -1506.579 where: short stacking energy: -638.685 Base-Backbone interact. energy: -2.196 local terms energy: -723.356819 where: bonds (distance) C4'-P energy: -148.519 bonds (distance) P-C4' energy: -137.919 flat angles C4'-P-C4' energy: -148.917 flat angles P-C4'-P energy: -109.022 tors. eta vs tors. theta energy: -178.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1907.160892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.160892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.160892 (E_RNA) where: Base-Base interactions energy: -1255.697 where: short stacking energy: -543.126 Base-Backbone interact. energy: -4.321 local terms energy: -647.142829 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -113.870 flat angles C4'-P-C4' energy: -159.641 flat angles P-C4'-P energy: -92.521 tors. eta vs tors. theta energy: -142.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1520.494234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.494234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.494234 (E_RNA) where: Base-Base interactions energy: -972.944 where: short stacking energy: -421.230 Base-Backbone interact. energy: -1.742 local terms energy: -545.808090 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -136.545 flat angles C4'-P-C4' energy: -127.586 flat angles P-C4'-P energy: -65.621 tors. eta vs tors. theta energy: -95.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1239.662850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.662850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.662850 (E_RNA) where: Base-Base interactions energy: -731.968 where: short stacking energy: -363.670 Base-Backbone interact. energy: -0.352 local terms energy: -507.342933 where: bonds (distance) C4'-P energy: -127.693 bonds (distance) P-C4' energy: -126.088 flat angles C4'-P-C4' energy: -124.948 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -57.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -830.035717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.035717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.035717 (E_RNA) where: Base-Base interactions energy: -415.306 where: short stacking energy: -214.765 Base-Backbone interact. energy: -3.661 local terms energy: -411.069216 where: bonds (distance) C4'-P energy: -126.235 bonds (distance) P-C4' energy: -124.558 flat angles C4'-P-C4' energy: -125.341 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: 21.186 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: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -651.129894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.129894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.129894 (E_RNA) where: Base-Base interactions energy: -265.880 where: short stacking energy: -145.836 Base-Backbone interact. energy: -2.759 local terms energy: -382.491752 where: bonds (distance) C4'-P energy: -98.660 bonds (distance) P-C4' energy: -128.609 flat angles C4'-P-C4' energy: -109.235 flat angles P-C4'-P energy: -63.945 tors. eta vs tors. theta energy: 17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2580.229712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.229712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.229712 (E_RNA) where: Base-Base interactions energy: -1754.568 where: short stacking energy: -739.951 Base-Backbone interact. energy: -2.714 local terms energy: -822.947332 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -149.519 flat angles C4'-P-C4' energy: -166.891 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -235.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2512.098247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.098247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.098247 (E_RNA) where: Base-Base interactions energy: -1705.230 where: short stacking energy: -753.468 Base-Backbone interact. energy: -1.862 local terms energy: -805.006605 where: bonds (distance) C4'-P energy: -148.223 bonds (distance) P-C4' energy: -137.777 flat angles C4'-P-C4' energy: -172.223 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -235.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2385.128469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.128469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.128469 (E_RNA) where: Base-Base interactions energy: -1637.866 where: short stacking energy: -667.495 Base-Backbone interact. energy: -4.315 local terms energy: -742.947473 where: bonds (distance) C4'-P energy: -135.323 bonds (distance) P-C4' energy: -142.479 flat angles C4'-P-C4' energy: -161.715 flat angles P-C4'-P energy: -106.068 tors. eta vs tors. theta energy: -197.363 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: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2293.096242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.096242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.096242 (E_RNA) where: Base-Base interactions energy: -1535.943 where: short stacking energy: -675.617 Base-Backbone interact. energy: -2.839 local terms energy: -754.314264 where: bonds (distance) C4'-P energy: -138.455 bonds (distance) P-C4' energy: -147.528 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -108.064 tors. eta vs tors. theta energy: -208.053 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: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2206.102553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.102553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.102553 (E_RNA) where: Base-Base interactions energy: -1488.626 where: short stacking energy: -626.703 Base-Backbone interact. energy: -0.865 local terms energy: -716.612126 where: bonds (distance) C4'-P energy: -138.366 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -155.699 flat angles P-C4'-P energy: -83.674 tors. eta vs tors. theta energy: -197.162 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: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1902.019511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.019511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.019511 (E_RNA) where: Base-Base interactions energy: -1233.329 where: short stacking energy: -513.061 Base-Backbone interact. energy: -2.820 local terms energy: -665.870902 where: bonds (distance) C4'-P energy: -126.431 bonds (distance) P-C4' energy: -149.281 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -150.675 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: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1524.327343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.327343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.327343 (E_RNA) where: Base-Base interactions energy: -942.189 where: short stacking energy: -391.194 Base-Backbone interact. energy: 0.277 local terms energy: -582.415671 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -135.249 flat angles C4'-P-C4' energy: -127.417 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -82.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1244.747865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.747865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.747865 (E_RNA) where: Base-Base interactions energy: -754.916 where: short stacking energy: -365.864 Base-Backbone interact. energy: 1.227 local terms energy: -491.058562 where: bonds (distance) C4'-P energy: -118.829 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -114.446 flat angles P-C4'-P energy: -59.066 tors. eta vs tors. theta energy: -53.252 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -802.729172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.729172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.729172 (E_RNA) where: Base-Base interactions energy: -379.481 where: short stacking energy: -228.584 Base-Backbone interact. energy: -3.896 local terms energy: -419.352433 where: bonds (distance) C4'-P energy: -120.954 bonds (distance) P-C4' energy: -135.694 flat angles C4'-P-C4' energy: -106.828 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -632.780572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.780572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.780572 (E_RNA) where: Base-Base interactions energy: -252.203 where: short stacking energy: -157.959 Base-Backbone interact. energy: 5.125 local terms energy: -385.702344 where: bonds (distance) C4'-P energy: -110.531 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -98.072 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: 6.463 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: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2546.031443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.031443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.031443 (E_RNA) where: Base-Base interactions energy: -1713.361 where: short stacking energy: -720.459 Base-Backbone interact. energy: -1.907 local terms energy: -830.762944 where: bonds (distance) C4'-P energy: -154.084 bonds (distance) P-C4' energy: -156.542 flat angles C4'-P-C4' energy: -178.968 flat angles P-C4'-P energy: -125.008 tors. eta vs tors. theta energy: -216.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2521.192703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.192703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.192703 (E_RNA) where: Base-Base interactions energy: -1704.631 where: short stacking energy: -708.976 Base-Backbone interact. energy: -2.795 local terms energy: -813.767421 where: bonds (distance) C4'-P energy: -149.226 bonds (distance) P-C4' energy: -153.970 flat angles C4'-P-C4' energy: -167.216 flat angles P-C4'-P energy: -117.249 tors. eta vs tors. theta energy: -226.106 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: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2372.854499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.854499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.854499 (E_RNA) where: Base-Base interactions energy: -1635.182 where: short stacking energy: -662.225 Base-Backbone interact. energy: -5.730 local terms energy: -731.941744 where: bonds (distance) C4'-P energy: -139.261 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -99.698 tors. eta vs tors. theta energy: -206.086 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: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2304.137837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.137837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.137837 (E_RNA) where: Base-Base interactions energy: -1542.800 where: short stacking energy: -661.211 Base-Backbone interact. energy: -0.778 local terms energy: -760.559748 where: bonds (distance) C4'-P energy: -140.434 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -152.563 flat angles P-C4'-P energy: -108.955 tors. eta vs tors. theta energy: -214.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2206.246560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.246560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.246560 (E_RNA) where: Base-Base interactions energy: -1488.183 where: short stacking energy: -646.438 Base-Backbone interact. energy: -1.397 local terms energy: -716.666369 where: bonds (distance) C4'-P energy: -147.806 bonds (distance) P-C4' energy: -142.181 flat angles C4'-P-C4' energy: -158.107 flat angles P-C4'-P energy: -80.655 tors. eta vs tors. theta energy: -187.917 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: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1899.253743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.253743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.253743 (E_RNA) where: Base-Base interactions energy: -1228.743 where: short stacking energy: -547.607 Base-Backbone interact. energy: 0.909 local terms energy: -671.420000 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -136.052 flat angles C4'-P-C4' energy: -145.542 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -157.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1566.644244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.644244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.644244 (E_RNA) where: Base-Base interactions energy: -1001.422 where: short stacking energy: -434.590 Base-Backbone interact. energy: 2.376 local terms energy: -567.597872 where: bonds (distance) C4'-P energy: -123.139 bonds (distance) P-C4' energy: -129.248 flat angles C4'-P-C4' energy: -137.262 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -99.410 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: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1226.338348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.338348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.338348 (E_RNA) where: Base-Base interactions energy: -717.378 where: short stacking energy: -343.722 Base-Backbone interact. energy: -4.121 local terms energy: -504.839729 where: bonds (distance) C4'-P energy: -116.331 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -108.087 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -56.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -782.186403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.186403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.186403 (E_RNA) where: Base-Base interactions energy: -365.353 where: short stacking energy: -194.376 Base-Backbone interact. energy: 3.544 local terms energy: -420.377023 where: bonds (distance) C4'-P energy: -122.478 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -107.207 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: 13.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -604.773998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.773998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.773998 (E_RNA) where: Base-Base interactions energy: -237.914 where: short stacking energy: -140.214 Base-Backbone interact. energy: -1.288 local terms energy: -365.571578 where: bonds (distance) C4'-P energy: -115.032 bonds (distance) P-C4' energy: -129.182 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -56.885 tors. eta vs tors. theta energy: 31.975 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: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2556.335928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.335928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.335928 (E_RNA) where: Base-Base interactions energy: -1738.329 where: short stacking energy: -761.195 Base-Backbone interact. energy: 1.103 local terms energy: -819.109691 where: bonds (distance) C4'-P energy: -145.190 bonds (distance) P-C4' energy: -159.573 flat angles C4'-P-C4' energy: -167.003 flat angles P-C4'-P energy: -124.366 tors. eta vs tors. theta energy: -222.977 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2552.942861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.942861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.942861 (E_RNA) where: Base-Base interactions energy: -1758.423 where: short stacking energy: -738.805 Base-Backbone interact. energy: -3.126 local terms energy: -791.394461 where: bonds (distance) C4'-P energy: -136.204 bonds (distance) P-C4' energy: -128.334 flat angles C4'-P-C4' energy: -180.590 flat angles P-C4'-P energy: -106.323 tors. eta vs tors. theta energy: -239.944 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: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2390.835779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.835779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.835779 (E_RNA) where: Base-Base interactions energy: -1642.631 where: short stacking energy: -668.035 Base-Backbone interact. energy: 2.650 local terms energy: -750.855471 where: bonds (distance) C4'-P energy: -156.281 bonds (distance) P-C4' energy: -150.362 flat angles C4'-P-C4' energy: -161.451 flat angles P-C4'-P energy: -91.803 tors. eta vs tors. theta energy: -190.959 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: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2311.661893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.661893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.661893 (E_RNA) where: Base-Base interactions energy: -1544.885 where: short stacking energy: -658.282 Base-Backbone interact. energy: -4.615 local terms energy: -762.162192 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -153.276 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -211.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2209.503108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.503108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.503108 (E_RNA) where: Base-Base interactions energy: -1489.004 where: short stacking energy: -639.719 Base-Backbone interact. energy: -3.216 local terms energy: -717.283342 where: bonds (distance) C4'-P energy: -133.771 bonds (distance) P-C4' energy: -141.577 flat angles C4'-P-C4' energy: -150.491 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -194.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1862.314597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.314597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.314597 (E_RNA) where: Base-Base interactions energy: -1221.223 where: short stacking energy: -508.668 Base-Backbone interact. energy: 2.541 local terms energy: -643.633223 where: bonds (distance) C4'-P energy: -130.427 bonds (distance) P-C4' energy: -147.216 flat angles C4'-P-C4' energy: -150.957 flat angles P-C4'-P energy: -95.518 tors. eta vs tors. theta energy: -119.516 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: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1599.255673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.255673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.255673 (E_RNA) where: Base-Base interactions energy: -1060.990 where: short stacking energy: -460.913 Base-Backbone interact. energy: 2.414 local terms energy: -540.679201 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -124.088 flat angles C4'-P-C4' energy: -125.650 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -97.640 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: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1295.895682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.895682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.895682 (E_RNA) where: Base-Base interactions energy: -815.189 where: short stacking energy: -371.399 Base-Backbone interact. energy: -0.779 local terms energy: -479.927442 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -111.519 flat angles C4'-P-C4' energy: -128.547 flat angles P-C4'-P energy: -75.308 tors. eta vs tors. theta energy: -60.978 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -857.581680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.581680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.581680 (E_RNA) where: Base-Base interactions energy: -416.936 where: short stacking energy: -239.066 Base-Backbone interact. energy: -1.387 local terms energy: -439.258513 where: bonds (distance) C4'-P energy: -111.098 bonds (distance) P-C4' energy: -125.759 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -623.671536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.671536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.671536 (E_RNA) where: Base-Base interactions energy: -267.811 where: short stacking energy: -159.964 Base-Backbone interact. energy: -7.380 local terms energy: -348.480477 where: bonds (distance) C4'-P energy: -108.777 bonds (distance) P-C4' energy: -120.698 flat angles C4'-P-C4' energy: -99.194 flat angles P-C4'-P energy: -58.959 tors. eta vs tors. theta energy: 39.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2524.513977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.513977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.513977 (E_RNA) where: Base-Base interactions energy: -1705.132 where: short stacking energy: -722.653 Base-Backbone interact. energy: -2.432 local terms energy: -816.949931 where: bonds (distance) C4'-P energy: -147.653 bonds (distance) P-C4' energy: -150.949 flat angles C4'-P-C4' energy: -169.592 flat angles P-C4'-P energy: -126.852 tors. eta vs tors. theta energy: -221.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2564.176907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.176907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.176907 (E_RNA) where: Base-Base interactions energy: -1743.920 where: short stacking energy: -733.097 Base-Backbone interact. energy: 0.900 local terms energy: -821.156228 where: bonds (distance) C4'-P energy: -157.170 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -176.613 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -223.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2385.542165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.542165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.542165 (E_RNA) where: Base-Base interactions energy: -1662.299 where: short stacking energy: -651.665 Base-Backbone interact. energy: 2.163 local terms energy: -725.405964 where: bonds (distance) C4'-P energy: -127.620 bonds (distance) P-C4' energy: -144.987 flat angles C4'-P-C4' energy: -155.316 flat angles P-C4'-P energy: -98.589 tors. eta vs tors. theta energy: -198.894 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: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2301.200880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.200880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.200880 (E_RNA) where: Base-Base interactions energy: -1556.555 where: short stacking energy: -663.299 Base-Backbone interact. energy: 7.267 local terms energy: -751.912150 where: bonds (distance) C4'-P energy: -147.003 bonds (distance) P-C4' energy: -129.435 flat angles C4'-P-C4' energy: -156.389 flat angles P-C4'-P energy: -113.594 tors. eta vs tors. theta energy: -205.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2228.807809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.807809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.807809 (E_RNA) where: Base-Base interactions energy: -1494.178 where: short stacking energy: -648.670 Base-Backbone interact. energy: -4.332 local terms energy: -730.297982 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -134.534 flat angles C4'-P-C4' energy: -155.280 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -196.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1863.519943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.519943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.519943 (E_RNA) where: Base-Base interactions energy: -1220.553 where: short stacking energy: -510.774 Base-Backbone interact. energy: 0.125 local terms energy: -643.091639 where: bonds (distance) C4'-P energy: -140.920 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -147.158 flat angles P-C4'-P energy: -98.838 tors. eta vs tors. theta energy: -133.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1581.861074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.861074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.861074 (E_RNA) where: Base-Base interactions energy: -1021.744 where: short stacking energy: -422.987 Base-Backbone interact. energy: 2.314 local terms energy: -562.430583 where: bonds (distance) C4'-P energy: -113.018 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -139.922 flat angles P-C4'-P energy: -79.845 tors. eta vs tors. theta energy: -112.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1352.898953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.898953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.898953 (E_RNA) where: Base-Base interactions energy: -819.115 where: short stacking energy: -401.436 Base-Backbone interact. energy: -0.164 local terms energy: -533.620891 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -128.968 flat angles C4'-P-C4' energy: -138.981 flat angles P-C4'-P energy: -64.885 tors. eta vs tors. theta energy: -82.751 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: 215 Temperature: 1.300000 Total energy: -806.737037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.737037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.737037 (E_RNA) where: Base-Base interactions energy: -394.734 where: short stacking energy: -249.234 Base-Backbone interact. energy: 2.069 local terms energy: -414.072444 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -120.048 flat angles C4'-P-C4' energy: -95.139 flat angles P-C4'-P energy: -69.917 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: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -637.414775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.414775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.414775 (E_RNA) where: Base-Base interactions energy: -289.206 where: short stacking energy: -201.282 Base-Backbone interact. energy: 8.001 local terms energy: -356.209055 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -89.726 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: 7.841 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: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2557.846197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.846197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.846197 (E_RNA) where: Base-Base interactions energy: -1728.239 where: short stacking energy: -753.610 Base-Backbone interact. energy: 2.028 local terms energy: -831.634823 where: bonds (distance) C4'-P energy: -166.365 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -168.647 flat angles P-C4'-P energy: -124.898 tors. eta vs tors. theta energy: -222.423 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: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2467.154141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.154141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.154141 (E_RNA) where: Base-Base interactions energy: -1679.109 where: short stacking energy: -724.739 Base-Backbone interact. energy: 0.360 local terms energy: -788.405178 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -149.117 flat angles C4'-P-C4' energy: -174.459 flat angles P-C4'-P energy: -119.229 tors. eta vs tors. theta energy: -204.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2423.902892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.902892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.902892 (E_RNA) where: Base-Base interactions energy: -1678.636 where: short stacking energy: -690.526 Base-Backbone interact. energy: -1.440 local terms energy: -743.827498 where: bonds (distance) C4'-P energy: -138.769 bonds (distance) P-C4' energy: -148.307 flat angles C4'-P-C4' energy: -159.656 flat angles P-C4'-P energy: -88.857 tors. eta vs tors. theta energy: -208.238 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: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2299.095087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.095087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.095087 (E_RNA) where: Base-Base interactions energy: -1547.807 where: short stacking energy: -637.671 Base-Backbone interact. energy: -1.764 local terms energy: -749.524243 where: bonds (distance) C4'-P energy: -148.130 bonds (distance) P-C4' energy: -134.971 flat angles C4'-P-C4' energy: -156.296 flat angles P-C4'-P energy: -111.505 tors. eta vs tors. theta energy: -198.623 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: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2185.620685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.620685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.620685 (E_RNA) where: Base-Base interactions energy: -1474.880 where: short stacking energy: -620.440 Base-Backbone interact. energy: -2.816 local terms energy: -707.924741 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -149.598 flat angles C4'-P-C4' energy: -160.668 flat angles P-C4'-P energy: -90.781 tors. eta vs tors. theta energy: -184.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1919.761641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.761641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.761641 (E_RNA) where: Base-Base interactions energy: -1264.071 where: short stacking energy: -534.888 Base-Backbone interact. energy: -0.633 local terms energy: -655.058520 where: bonds (distance) C4'-P energy: -135.115 bonds (distance) P-C4' energy: -144.428 flat angles C4'-P-C4' energy: -138.521 flat angles P-C4'-P energy: -84.811 tors. eta vs tors. theta energy: -152.184 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: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1532.643238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.643238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.643238 (E_RNA) where: Base-Base interactions energy: -960.417 where: short stacking energy: -428.564 Base-Backbone interact. energy: -1.394 local terms energy: -570.832637 where: bonds (distance) C4'-P energy: -129.871 bonds (distance) P-C4' energy: -125.942 flat angles C4'-P-C4' energy: -140.542 flat angles P-C4'-P energy: -74.622 tors. eta vs tors. theta energy: -99.855 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: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1287.963254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.963254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.963254 (E_RNA) where: Base-Base interactions energy: -742.611 where: short stacking energy: -386.235 Base-Backbone interact. energy: -1.065 local terms energy: -544.287245 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -127.235 flat angles C4'-P-C4' energy: -140.823 flat angles P-C4'-P energy: -78.704 tors. eta vs tors. theta energy: -75.019 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: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -848.329759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.329759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.329759 (E_RNA) where: Base-Base interactions energy: -432.139 where: short stacking energy: -239.672 Base-Backbone interact. energy: -0.164 local terms energy: -416.027046 where: bonds (distance) C4'-P energy: -117.833 bonds (distance) P-C4' energy: -130.003 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -53.017 tors. eta vs tors. theta energy: -6.829 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -596.493673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.493673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.493673 (E_RNA) where: Base-Base interactions energy: -246.872 where: short stacking energy: -177.852 Base-Backbone interact. energy: -0.440 local terms energy: -349.182012 where: bonds (distance) C4'-P energy: -110.913 bonds (distance) P-C4' energy: -97.403 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: 19.849 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: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2556.172928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.172928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.172928 (E_RNA) where: Base-Base interactions energy: -1738.665 where: short stacking energy: -737.302 Base-Backbone interact. energy: -1.623 local terms energy: -815.885308 where: bonds (distance) C4'-P energy: -157.520 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -175.957 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -217.298 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: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2493.673720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.673720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.673720 (E_RNA) where: Base-Base interactions energy: -1681.330 where: short stacking energy: -731.273 Base-Backbone interact. energy: -0.654 local terms energy: -811.688918 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -173.272 flat angles P-C4'-P energy: -108.250 tors. eta vs tors. theta energy: -222.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2401.864983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.864983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.864983 (E_RNA) where: Base-Base interactions energy: -1669.770 where: short stacking energy: -665.636 Base-Backbone interact. energy: -4.812 local terms energy: -727.283242 where: bonds (distance) C4'-P energy: -125.225 bonds (distance) P-C4' energy: -147.109 flat angles C4'-P-C4' energy: -158.281 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -199.147 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: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2307.596982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.596982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.596982 (E_RNA) where: Base-Base interactions energy: -1573.363 where: short stacking energy: -660.399 Base-Backbone interact. energy: 0.158 local terms energy: -734.392278 where: bonds (distance) C4'-P energy: -129.447 bonds (distance) P-C4' energy: -136.324 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -104.070 tors. eta vs tors. theta energy: -208.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2191.434109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.434109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.434109 (E_RNA) where: Base-Base interactions energy: -1465.549 where: short stacking energy: -640.076 Base-Backbone interact. energy: -0.738 local terms energy: -725.146690 where: bonds (distance) C4'-P energy: -140.559 bonds (distance) P-C4' energy: -147.080 flat angles C4'-P-C4' energy: -151.506 flat angles P-C4'-P energy: -105.882 tors. eta vs tors. theta energy: -180.119 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: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1836.941253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.941253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.941253 (E_RNA) where: Base-Base interactions energy: -1220.230 where: short stacking energy: -526.255 Base-Backbone interact. energy: -1.768 local terms energy: -614.943651 where: bonds (distance) C4'-P energy: -122.283 bonds (distance) P-C4' energy: -123.291 flat angles C4'-P-C4' energy: -146.241 flat angles P-C4'-P energy: -85.704 tors. eta vs tors. theta energy: -137.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1618.286842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.286842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.286842 (E_RNA) where: Base-Base interactions energy: -1042.207 where: short stacking energy: -442.972 Base-Backbone interact. energy: 0.800 local terms energy: -576.879473 where: bonds (distance) C4'-P energy: -130.935 bonds (distance) P-C4' energy: -124.373 flat angles C4'-P-C4' energy: -135.674 flat angles P-C4'-P energy: -77.345 tors. eta vs tors. theta energy: -108.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1219.987478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.987478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.987478 (E_RNA) where: Base-Base interactions energy: -744.313 where: short stacking energy: -357.900 Base-Backbone interact. energy: -1.809 local terms energy: -473.866282 where: bonds (distance) C4'-P energy: -115.310 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -106.635 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -46.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -839.467963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.467963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.467963 (E_RNA) where: Base-Base interactions energy: -391.547 where: short stacking energy: -248.152 Base-Backbone interact. energy: 3.210 local terms energy: -451.130963 where: bonds (distance) C4'-P energy: -124.312 bonds (distance) P-C4' energy: -140.443 flat angles C4'-P-C4' energy: -110.340 flat angles P-C4'-P energy: -64.624 tors. eta vs tors. theta energy: -11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -641.277332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.277332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.277332 (E_RNA) where: Base-Base interactions energy: -272.684 where: short stacking energy: -193.351 Base-Backbone interact. energy: 1.770 local terms energy: -370.362388 where: bonds (distance) C4'-P energy: -128.593 bonds (distance) P-C4' energy: -107.375 flat angles C4'-P-C4' energy: -95.377 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: 5.378 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: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2601.655125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.655125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.655125 (E_RNA) where: Base-Base interactions energy: -1761.190 where: short stacking energy: -750.658 Base-Backbone interact. energy: 0.325 local terms energy: -840.790348 where: bonds (distance) C4'-P energy: -151.483 bonds (distance) P-C4' energy: -157.227 flat angles C4'-P-C4' energy: -177.275 flat angles P-C4'-P energy: -116.610 tors. eta vs tors. theta energy: -238.195 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: 2, replica: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2480.627237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.627237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.627237 (E_RNA) where: Base-Base interactions energy: -1686.659 where: short stacking energy: -730.369 Base-Backbone interact. energy: -1.810 local terms energy: -792.158477 where: bonds (distance) C4'-P energy: -142.065 bonds (distance) P-C4' energy: -138.844 flat angles C4'-P-C4' energy: -178.107 flat angles P-C4'-P energy: -118.723 tors. eta vs tors. theta energy: -214.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2364.007845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.007845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.007845 (E_RNA) where: Base-Base interactions energy: -1640.977 where: short stacking energy: -681.038 Base-Backbone interact. energy: 2.392 local terms energy: -725.422333 where: bonds (distance) C4'-P energy: -131.690 bonds (distance) P-C4' energy: -140.166 flat angles C4'-P-C4' energy: -167.700 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -197.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2314.863800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.863800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.863800 (E_RNA) where: Base-Base interactions energy: -1585.141 where: short stacking energy: -694.348 Base-Backbone interact. energy: -1.967 local terms energy: -727.756114 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -141.148 flat angles C4'-P-C4' energy: -157.468 flat angles P-C4'-P energy: -79.196 tors. eta vs tors. theta energy: -218.714 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: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2220.152460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.152460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.152460 (E_RNA) where: Base-Base interactions energy: -1510.449 where: short stacking energy: -638.237 Base-Backbone interact. energy: -3.007 local terms energy: -706.696028 where: bonds (distance) C4'-P energy: -145.866 bonds (distance) P-C4' energy: -140.085 flat angles C4'-P-C4' energy: -146.030 flat angles P-C4'-P energy: -91.388 tors. eta vs tors. theta energy: -183.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1874.864588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.864588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.864588 (E_RNA) where: Base-Base interactions energy: -1190.944 where: short stacking energy: -510.890 Base-Backbone interact. energy: 1.755 local terms energy: -685.676165 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -134.967 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -151.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1547.877685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.877685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.877685 (E_RNA) where: Base-Base interactions energy: -995.193 where: short stacking energy: -421.664 Base-Backbone interact. energy: -1.464 local terms energy: -551.220841 where: bonds (distance) C4'-P energy: -122.983 bonds (distance) P-C4' energy: -126.082 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -95.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1204.873271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.873271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.873271 (E_RNA) where: Base-Base interactions energy: -700.520 where: short stacking energy: -362.691 Base-Backbone interact. energy: 3.573 local terms energy: -507.926435 where: bonds (distance) C4'-P energy: -108.762 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -83.372 tors. eta vs tors. theta energy: -50.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -874.581298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.581298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.581298 (E_RNA) where: Base-Base interactions energy: -417.636 where: short stacking energy: -226.400 Base-Backbone interact. energy: 4.384 local terms energy: -461.329378 where: bonds (distance) C4'-P energy: -119.713 bonds (distance) P-C4' energy: -137.025 flat angles C4'-P-C4' energy: -117.752 flat angles P-C4'-P energy: -76.423 tors. eta vs tors. theta energy: -10.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -600.285710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.285710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.285710 (E_RNA) where: Base-Base interactions energy: -204.215 where: short stacking energy: -146.597 Base-Backbone interact. energy: -1.480 local terms energy: -394.590026 where: bonds (distance) C4'-P energy: -119.045 bonds (distance) P-C4' energy: -138.922 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: 22.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2581.204082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.204082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.204082 (E_RNA) where: Base-Base interactions energy: -1744.587 where: short stacking energy: -748.368 Base-Backbone interact. energy: -2.981 local terms energy: -833.636286 where: bonds (distance) C4'-P energy: -155.442 bonds (distance) P-C4' energy: -150.780 flat angles C4'-P-C4' energy: -181.278 flat angles P-C4'-P energy: -107.641 tors. eta vs tors. theta energy: -238.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2480.291879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.291879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.291879 (E_RNA) where: Base-Base interactions energy: -1674.486 where: short stacking energy: -700.681 Base-Backbone interact. energy: -1.838 local terms energy: -803.968332 where: bonds (distance) C4'-P energy: -145.401 bonds (distance) P-C4' energy: -158.040 flat angles C4'-P-C4' energy: -177.889 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -218.744 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2380.433146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.433146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.433146 (E_RNA) where: Base-Base interactions energy: -1658.958 where: short stacking energy: -669.564 Base-Backbone interact. energy: -2.454 local terms energy: -719.021853 where: bonds (distance) C4'-P energy: -132.454 bonds (distance) P-C4' energy: -115.995 flat angles C4'-P-C4' energy: -168.664 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -196.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2259.171266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.171266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.171266 (E_RNA) where: Base-Base interactions energy: -1533.810 where: short stacking energy: -634.175 Base-Backbone interact. energy: -3.346 local terms energy: -722.015284 where: bonds (distance) C4'-P energy: -128.165 bonds (distance) P-C4' energy: -133.997 flat angles C4'-P-C4' energy: -151.253 flat angles P-C4'-P energy: -119.536 tors. eta vs tors. theta energy: -189.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2215.333047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.333047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.333047 (E_RNA) where: Base-Base interactions energy: -1478.443 where: short stacking energy: -636.488 Base-Backbone interact. energy: -0.237 local terms energy: -736.653318 where: bonds (distance) C4'-P energy: -125.524 bonds (distance) P-C4' energy: -133.709 flat angles C4'-P-C4' energy: -162.670 flat angles P-C4'-P energy: -103.612 tors. eta vs tors. theta energy: -211.139 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: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1839.578901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.578901 (E_RNA) where: Base-Base interactions energy: -1184.939 where: short stacking energy: -511.891 Base-Backbone interact. energy: -3.541 local terms energy: -651.098463 where: bonds (distance) C4'-P energy: -130.994 bonds (distance) P-C4' energy: -140.941 flat angles C4'-P-C4' energy: -136.952 flat angles P-C4'-P energy: -104.359 tors. eta vs tors. theta energy: -137.852 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: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1586.262800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.262800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.262800 (E_RNA) where: Base-Base interactions energy: -1008.361 where: short stacking energy: -433.511 Base-Backbone interact. energy: -4.436 local terms energy: -573.465467 where: bonds (distance) C4'-P energy: -142.401 bonds (distance) P-C4' energy: -124.263 flat angles C4'-P-C4' energy: -143.775 flat angles P-C4'-P energy: -65.811 tors. eta vs tors. theta energy: -97.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1192.682496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.682496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.682496 (E_RNA) where: Base-Base interactions energy: -721.958 where: short stacking energy: -334.753 Base-Backbone interact. energy: 0.323 local terms energy: -471.046839 where: bonds (distance) C4'-P energy: -121.311 bonds (distance) P-C4' energy: -120.179 flat angles C4'-P-C4' energy: -116.864 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -51.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -873.352230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.352230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.352230 (E_RNA) where: Base-Base interactions energy: -447.007 where: short stacking energy: -261.870 Base-Backbone interact. energy: 1.401 local terms energy: -427.746255 where: bonds (distance) C4'-P energy: -120.335 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -127.594 flat angles P-C4'-P energy: -56.289 tors. eta vs tors. theta energy: 5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -632.155563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.155563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.155563 (E_RNA) where: Base-Base interactions energy: -260.761 where: short stacking energy: -164.818 Base-Backbone interact. energy: 2.410 local terms energy: -373.805386 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -125.401 flat angles C4'-P-C4' energy: -80.742 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: 26.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2625.704775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.704775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.704775 (E_RNA) where: Base-Base interactions energy: -1801.559 where: short stacking energy: -792.547 Base-Backbone interact. energy: -2.488 local terms energy: -821.657424 where: bonds (distance) C4'-P energy: -142.201 bonds (distance) P-C4' energy: -156.392 flat angles C4'-P-C4' energy: -174.743 flat angles P-C4'-P energy: -108.834 tors. eta vs tors. theta energy: -239.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2514.917741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.917741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.917741 (E_RNA) where: Base-Base interactions energy: -1706.334 where: short stacking energy: -711.568 Base-Backbone interact. energy: 0.049 local terms energy: -808.633546 where: bonds (distance) C4'-P energy: -155.462 bonds (distance) P-C4' energy: -143.431 flat angles C4'-P-C4' energy: -185.675 flat angles P-C4'-P energy: -105.804 tors. eta vs tors. theta energy: -218.261 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: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2411.241197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.241197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.241197 (E_RNA) where: Base-Base interactions energy: -1677.139 where: short stacking energy: -683.877 Base-Backbone interact. energy: -3.509 local terms energy: -730.593544 where: bonds (distance) C4'-P energy: -137.216 bonds (distance) P-C4' energy: -128.483 flat angles C4'-P-C4' energy: -162.420 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -208.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2282.860017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.860017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.860017 (E_RNA) where: Base-Base interactions energy: -1559.924 where: short stacking energy: -657.220 Base-Backbone interact. energy: -1.019 local terms energy: -721.917670 where: bonds (distance) C4'-P energy: -132.407 bonds (distance) P-C4' energy: -134.449 flat angles C4'-P-C4' energy: -166.522 flat angles P-C4'-P energy: -98.847 tors. eta vs tors. theta energy: -189.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2159.377573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.377573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.377573 (E_RNA) where: Base-Base interactions energy: -1463.912 where: short stacking energy: -613.105 Base-Backbone interact. energy: 0.576 local terms energy: -696.041650 where: bonds (distance) C4'-P energy: -113.035 bonds (distance) P-C4' energy: -138.870 flat angles C4'-P-C4' energy: -156.787 flat angles P-C4'-P energy: -102.653 tors. eta vs tors. theta energy: -184.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1882.000721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.000721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.000721 (E_RNA) where: Base-Base interactions energy: -1244.123 where: short stacking energy: -524.555 Base-Backbone interact. energy: 0.917 local terms energy: -638.794029 where: bonds (distance) C4'-P energy: -136.597 bonds (distance) P-C4' energy: -116.532 flat angles C4'-P-C4' energy: -145.803 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -148.659 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: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1458.029456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.029456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.029456 (E_RNA) where: Base-Base interactions energy: -918.588 where: short stacking energy: -404.011 Base-Backbone interact. energy: 2.281 local terms energy: -541.722256 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -136.701 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -70.287 tors. eta vs tors. theta energy: -79.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1203.964046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.964046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.964046 (E_RNA) where: Base-Base interactions energy: -713.179 where: short stacking energy: -322.907 Base-Backbone interact. energy: 1.499 local terms energy: -492.283735 where: bonds (distance) C4'-P energy: -123.545 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -117.482 flat angles P-C4'-P energy: -81.667 tors. eta vs tors. theta energy: -55.626 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -877.797547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.797547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.797547 (E_RNA) where: Base-Base interactions energy: -469.699 where: short stacking energy: -264.635 Base-Backbone interact. energy: 8.857 local terms energy: -416.955634 where: bonds (distance) C4'-P energy: -105.211 bonds (distance) P-C4' energy: -127.902 flat angles C4'-P-C4' energy: -87.729 flat angles P-C4'-P energy: -86.163 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -614.370957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.370957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.370957 (E_RNA) where: Base-Base interactions energy: -234.410 where: short stacking energy: -160.364 Base-Backbone interact. energy: 1.589 local terms energy: -381.549910 where: bonds (distance) C4'-P energy: -104.267 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -113.639 flat angles P-C4'-P energy: -48.673 tors. eta vs tors. theta energy: 23.725 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2588.762520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.762520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.762520 (E_RNA) where: Base-Base interactions energy: -1740.807 where: short stacking energy: -736.929 Base-Backbone interact. energy: 1.139 local terms energy: -849.094180 where: bonds (distance) C4'-P energy: -160.202 bonds (distance) P-C4' energy: -155.330 flat angles C4'-P-C4' energy: -177.633 flat angles P-C4'-P energy: -113.296 tors. eta vs tors. theta energy: -242.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2509.967510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.967510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.967510 (E_RNA) where: Base-Base interactions energy: -1742.281 where: short stacking energy: -736.752 Base-Backbone interact. energy: -2.556 local terms energy: -765.131146 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -169.629 flat angles P-C4'-P energy: -108.635 tors. eta vs tors. theta energy: -217.970 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2414.814477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.814477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.814477 (E_RNA) where: Base-Base interactions energy: -1650.937 where: short stacking energy: -665.810 Base-Backbone interact. energy: -3.033 local terms energy: -760.844532 where: bonds (distance) C4'-P energy: -144.545 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -165.637 flat angles P-C4'-P energy: -106.925 tors. eta vs tors. theta energy: -201.013 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: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2286.994528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.994528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.994528 (E_RNA) where: Base-Base interactions energy: -1556.016 where: short stacking energy: -611.001 Base-Backbone interact. energy: -2.471 local terms energy: -728.506803 where: bonds (distance) C4'-P energy: -135.794 bonds (distance) P-C4' energy: -151.695 flat angles C4'-P-C4' energy: -152.730 flat angles P-C4'-P energy: -108.440 tors. eta vs tors. theta energy: -179.848 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: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2187.505583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.505583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.505583 (E_RNA) where: Base-Base interactions energy: -1472.459 where: short stacking energy: -640.782 Base-Backbone interact. energy: 0.344 local terms energy: -715.390577 where: bonds (distance) C4'-P energy: -104.419 bonds (distance) P-C4' energy: -149.800 flat angles C4'-P-C4' energy: -164.796 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -202.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1872.017623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.017623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.017623 (E_RNA) where: Base-Base interactions energy: -1265.064 where: short stacking energy: -550.454 Base-Backbone interact. energy: 1.577 local terms energy: -608.530816 where: bonds (distance) C4'-P energy: -130.451 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -89.919 tors. eta vs tors. theta energy: -130.678 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: 221 Temperature: 1.200000 Total energy: -1479.939176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.939176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.939176 (E_RNA) where: Base-Base interactions energy: -953.114 where: short stacking energy: -408.498 Base-Backbone interact. energy: 2.137 local terms energy: -528.962595 where: bonds (distance) C4'-P energy: -116.777 bonds (distance) P-C4' energy: -127.945 flat angles C4'-P-C4' energy: -133.054 flat angles P-C4'-P energy: -72.623 tors. eta vs tors. theta energy: -78.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1174.780411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.780411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.780411 (E_RNA) where: Base-Base interactions energy: -641.574 where: short stacking energy: -310.388 Base-Backbone interact. energy: -2.155 local terms energy: -531.051430 where: bonds (distance) C4'-P energy: -129.722 bonds (distance) P-C4' energy: -132.337 flat angles C4'-P-C4' energy: -121.591 flat angles P-C4'-P energy: -93.219 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: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -849.255801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.255801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.255801 (E_RNA) where: Base-Base interactions energy: -441.354 where: short stacking energy: -246.044 Base-Backbone interact. energy: -0.069 local terms energy: -407.832021 where: bonds (distance) C4'-P energy: -109.958 bonds (distance) P-C4' energy: -117.658 flat angles C4'-P-C4' energy: -118.729 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -10.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -561.618409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.618409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.618409 (E_RNA) where: Base-Base interactions energy: -210.828 where: short stacking energy: -169.352 Base-Backbone interact. energy: 0.258 local terms energy: -351.048124 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -116.670 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: 37.055 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: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2605.464164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.464164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.464164 (E_RNA) where: Base-Base interactions energy: -1771.273 where: short stacking energy: -745.926 Base-Backbone interact. energy: -0.425 local terms energy: -833.766098 where: bonds (distance) C4'-P energy: -151.331 bonds (distance) P-C4' energy: -156.128 flat angles C4'-P-C4' energy: -181.367 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -228.622 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: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2516.240833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.240833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.240833 (E_RNA) where: Base-Base interactions energy: -1697.912 where: short stacking energy: -729.602 Base-Backbone interact. energy: -1.788 local terms energy: -816.540585 where: bonds (distance) C4'-P energy: -164.447 bonds (distance) P-C4' energy: -145.548 flat angles C4'-P-C4' energy: -169.534 flat angles P-C4'-P energy: -117.754 tors. eta vs tors. theta energy: -219.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2382.571404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.571404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.571404 (E_RNA) where: Base-Base interactions energy: -1625.700 where: short stacking energy: -678.587 Base-Backbone interact. energy: -4.660 local terms energy: -752.211391 where: bonds (distance) C4'-P energy: -137.282 bonds (distance) P-C4' energy: -147.309 flat angles C4'-P-C4' energy: -167.145 flat angles P-C4'-P energy: -105.246 tors. eta vs tors. theta energy: -195.229 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: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2294.144052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.144052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.144052 (E_RNA) where: Base-Base interactions energy: -1557.696 where: short stacking energy: -660.552 Base-Backbone interact. energy: -1.182 local terms energy: -735.265481 where: bonds (distance) C4'-P energy: -142.945 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -194.029 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: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2184.080183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.080183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.080183 (E_RNA) where: Base-Base interactions energy: -1430.440 where: short stacking energy: -636.996 Base-Backbone interact. energy: -4.215 local terms energy: -749.425764 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -157.748 flat angles C4'-P-C4' energy: -167.941 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -187.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1833.557178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.557178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.557178 (E_RNA) where: Base-Base interactions energy: -1208.612 where: short stacking energy: -534.163 Base-Backbone interact. energy: -1.409 local terms energy: -623.536013 where: bonds (distance) C4'-P energy: -140.486 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -134.249 flat angles P-C4'-P energy: -97.048 tors. eta vs tors. theta energy: -137.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1544.171874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.171874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.171874 (E_RNA) where: Base-Base interactions energy: -970.067 where: short stacking energy: -425.566 Base-Backbone interact. energy: 6.269 local terms energy: -580.373575 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -132.864 flat angles C4'-P-C4' energy: -127.866 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: -89.914 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1213.914878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.914878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.914878 (E_RNA) where: Base-Base interactions energy: -705.204 where: short stacking energy: -317.385 Base-Backbone interact. energy: -1.616 local terms energy: -507.095250 where: bonds (distance) C4'-P energy: -127.795 bonds (distance) P-C4' energy: -126.963 flat angles C4'-P-C4' energy: -128.639 flat angles P-C4'-P energy: -81.401 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: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -979.821849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.821849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.821849 (E_RNA) where: Base-Base interactions energy: -527.357 where: short stacking energy: -267.559 Base-Backbone interact. energy: 2.443 local terms energy: -454.907216 where: bonds (distance) C4'-P energy: -130.642 bonds (distance) P-C4' energy: -116.365 flat angles C4'-P-C4' energy: -126.447 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -20.136 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: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -577.040118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.040118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.040118 (E_RNA) where: Base-Base interactions energy: -187.248 where: short stacking energy: -154.280 Base-Backbone interact. energy: -0.340 local terms energy: -389.452009 where: bonds (distance) C4'-P energy: -122.671 bonds (distance) P-C4' energy: -129.716 flat angles C4'-P-C4' energy: -116.031 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: 35.846 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: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2605.781151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.781151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.781151 (E_RNA) where: Base-Base interactions energy: -1762.131 where: short stacking energy: -748.413 Base-Backbone interact. energy: -2.406 local terms energy: -841.244786 where: bonds (distance) C4'-P energy: -158.463 bonds (distance) P-C4' energy: -171.978 flat angles C4'-P-C4' energy: -172.054 flat angles P-C4'-P energy: -116.060 tors. eta vs tors. theta energy: -222.690 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: 223 Temperature: 0.950000 Total energy: -2487.810313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.810313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.810313 (E_RNA) where: Base-Base interactions energy: -1701.595 where: short stacking energy: -739.395 Base-Backbone interact. energy: -1.808 local terms energy: -784.407515 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -145.382 flat angles C4'-P-C4' energy: -173.225 flat angles P-C4'-P energy: -106.002 tors. eta vs tors. theta energy: -221.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2405.154636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.154636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.154636 (E_RNA) where: Base-Base interactions energy: -1670.937 where: short stacking energy: -669.670 Base-Backbone interact. energy: -1.320 local terms energy: -732.897514 where: bonds (distance) C4'-P energy: -138.839 bonds (distance) P-C4' energy: -141.907 flat angles C4'-P-C4' energy: -165.787 flat angles P-C4'-P energy: -99.368 tors. eta vs tors. theta energy: -186.996 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: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2340.085558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.085558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.085558 (E_RNA) where: Base-Base interactions energy: -1609.235 where: short stacking energy: -678.503 Base-Backbone interact. energy: -1.738 local terms energy: -729.113290 where: bonds (distance) C4'-P energy: -141.661 bonds (distance) P-C4' energy: -127.837 flat angles C4'-P-C4' energy: -148.885 flat angles P-C4'-P energy: -108.612 tors. eta vs tors. theta energy: -202.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2169.037933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.037933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.037933 (E_RNA) where: Base-Base interactions energy: -1463.201 where: short stacking energy: -656.051 Base-Backbone interact. energy: -3.435 local terms energy: -702.401849 where: bonds (distance) C4'-P energy: -129.526 bonds (distance) P-C4' energy: -125.142 flat angles C4'-P-C4' energy: -153.449 flat angles P-C4'-P energy: -90.251 tors. eta vs tors. theta energy: -204.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1900.913864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.913864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.913864 (E_RNA) where: Base-Base interactions energy: -1240.609 where: short stacking energy: -542.791 Base-Backbone interact. energy: 0.993 local terms energy: -661.297458 where: bonds (distance) C4'-P energy: -141.947 bonds (distance) P-C4' energy: -122.811 flat angles C4'-P-C4' energy: -165.989 flat angles P-C4'-P energy: -91.033 tors. eta vs tors. theta energy: -139.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1483.389380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.389380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.389380 (E_RNA) where: Base-Base interactions energy: -942.695 where: short stacking energy: -452.073 Base-Backbone interact. energy: -0.845 local terms energy: -539.849168 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -125.572 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -88.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1181.289758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.289758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.289758 (E_RNA) where: Base-Base interactions energy: -681.164 where: short stacking energy: -370.188 Base-Backbone interact. energy: 5.438 local terms energy: -505.563054 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -143.692 flat angles C4'-P-C4' energy: -113.378 flat angles P-C4'-P energy: -82.960 tors. eta vs tors. theta energy: -65.964 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: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -899.336687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.336687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.336687 (E_RNA) where: Base-Base interactions energy: -451.270 where: short stacking energy: -240.438 Base-Backbone interact. energy: 3.471 local terms energy: -451.537598 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -120.865 flat angles C4'-P-C4' energy: -117.872 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: -13.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -584.550743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.550743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.550743 (E_RNA) where: Base-Base interactions energy: -206.857 where: short stacking energy: -146.041 Base-Backbone interact. energy: -2.359 local terms energy: -375.335161 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -97.737 flat angles P-C4'-P energy: -55.821 tors. eta vs tors. theta energy: 20.228 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: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2593.394137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.394137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.394137 (E_RNA) where: Base-Base interactions energy: -1776.612 where: short stacking energy: -768.845 Base-Backbone interact. energy: -2.564 local terms energy: -814.218008 where: bonds (distance) C4'-P energy: -138.605 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -177.202 flat angles P-C4'-P energy: -108.637 tors. eta vs tors. theta energy: -242.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2532.936715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.936715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.936715 (E_RNA) where: Base-Base interactions energy: -1741.693 where: short stacking energy: -736.635 Base-Backbone interact. energy: -2.466 local terms energy: -788.777264 where: bonds (distance) C4'-P energy: -143.888 bonds (distance) P-C4' energy: -130.488 flat angles C4'-P-C4' energy: -179.833 flat angles P-C4'-P energy: -109.386 tors. eta vs tors. theta energy: -225.181 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: 3, replica: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2387.022897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.022897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.022897 (E_RNA) where: Base-Base interactions energy: -1642.152 where: short stacking energy: -662.661 Base-Backbone interact. energy: -4.893 local terms energy: -739.977639 where: bonds (distance) C4'-P energy: -136.672 bonds (distance) P-C4' energy: -141.109 flat angles C4'-P-C4' energy: -162.204 flat angles P-C4'-P energy: -94.538 tors. eta vs tors. theta energy: -205.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2330.657524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.657524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.657524 (E_RNA) where: Base-Base interactions energy: -1601.191 where: short stacking energy: -664.266 Base-Backbone interact. energy: -2.812 local terms energy: -726.654714 where: bonds (distance) C4'-P energy: -135.113 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -156.688 flat angles P-C4'-P energy: -97.694 tors. eta vs tors. theta energy: -204.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2178.912316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.912316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.912316 (E_RNA) where: Base-Base interactions energy: -1482.123 where: short stacking energy: -633.320 Base-Backbone interact. energy: -3.388 local terms energy: -693.401352 where: bonds (distance) C4'-P energy: -135.121 bonds (distance) P-C4' energy: -126.951 flat angles C4'-P-C4' energy: -147.371 flat angles P-C4'-P energy: -96.332 tors. eta vs tors. theta energy: -187.625 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: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1837.716199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.716199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.716199 (E_RNA) where: Base-Base interactions energy: -1208.062 where: short stacking energy: -504.847 Base-Backbone interact. energy: -1.613 local terms energy: -628.041085 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -139.158 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -97.770 tors. eta vs tors. theta energy: -129.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1514.316637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.316637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.316637 (E_RNA) where: Base-Base interactions energy: -966.060 where: short stacking energy: -456.723 Base-Backbone interact. energy: -1.983 local terms energy: -546.273234 where: bonds (distance) C4'-P energy: -101.781 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -119.004 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -103.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1162.114299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.114299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.114299 (E_RNA) where: Base-Base interactions energy: -712.399 where: short stacking energy: -336.000 Base-Backbone interact. energy: 6.574 local terms energy: -456.289288 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -127.303 flat angles C4'-P-C4' energy: -118.940 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: -48.360 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -919.928063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.928063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.928063 (E_RNA) where: Base-Base interactions energy: -478.817 where: short stacking energy: -263.105 Base-Backbone interact. energy: -2.098 local terms energy: -439.012959 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -121.284 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -4.312 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: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -604.428527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.428527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.428527 (E_RNA) where: Base-Base interactions energy: -223.501 where: short stacking energy: -162.060 Base-Backbone interact. energy: -0.764 local terms energy: -380.163142 where: bonds (distance) C4'-P energy: -102.720 bonds (distance) P-C4' energy: -116.970 flat angles C4'-P-C4' energy: -129.055 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: 24.069 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2611.903281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.903281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.903281 (E_RNA) where: Base-Base interactions energy: -1760.923 where: short stacking energy: -746.988 Base-Backbone interact. energy: -1.242 local terms energy: -849.738867 where: bonds (distance) C4'-P energy: -150.691 bonds (distance) P-C4' energy: -162.005 flat angles C4'-P-C4' energy: -177.094 flat angles P-C4'-P energy: -129.184 tors. eta vs tors. theta energy: -230.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2501.345427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.345427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.345427 (E_RNA) where: Base-Base interactions energy: -1688.275 where: short stacking energy: -748.025 Base-Backbone interact. energy: -1.112 local terms energy: -811.958142 where: bonds (distance) C4'-P energy: -140.965 bonds (distance) P-C4' energy: -151.227 flat angles C4'-P-C4' energy: -180.590 flat angles P-C4'-P energy: -115.468 tors. eta vs tors. theta energy: -223.709 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: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2403.154518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.154518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.154518 (E_RNA) where: Base-Base interactions energy: -1642.417 where: short stacking energy: -641.891 Base-Backbone interact. energy: -2.834 local terms energy: -757.903893 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -165.457 flat angles C4'-P-C4' energy: -162.125 flat angles P-C4'-P energy: -95.253 tors. eta vs tors. theta energy: -192.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2357.350792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.350792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.350792 (E_RNA) where: Base-Base interactions energy: -1605.326 where: short stacking energy: -672.641 Base-Backbone interact. energy: -2.701 local terms energy: -749.323868 where: bonds (distance) C4'-P energy: -132.631 bonds (distance) P-C4' energy: -146.879 flat angles C4'-P-C4' energy: -159.316 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -204.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2138.515564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.515564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.515564 (E_RNA) where: Base-Base interactions energy: -1449.119 where: short stacking energy: -621.716 Base-Backbone interact. energy: 6.811 local terms energy: -696.207142 where: bonds (distance) C4'-P energy: -125.950 bonds (distance) P-C4' energy: -140.195 flat angles C4'-P-C4' energy: -153.839 flat angles P-C4'-P energy: -91.684 tors. eta vs tors. theta energy: -184.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1843.684672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.684672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.684672 (E_RNA) where: Base-Base interactions energy: -1199.343 where: short stacking energy: -522.403 Base-Backbone interact. energy: -2.972 local terms energy: -641.370472 where: bonds (distance) C4'-P energy: -128.319 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -145.256 flat angles P-C4'-P energy: -86.165 tors. eta vs tors. theta energy: -143.980 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: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1532.419796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.419796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.419796 (E_RNA) where: Base-Base interactions energy: -974.672 where: short stacking energy: -450.575 Base-Backbone interact. energy: -2.385 local terms energy: -555.363566 where: bonds (distance) C4'-P energy: -146.194 bonds (distance) P-C4' energy: -120.279 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -91.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1183.638640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.638640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.638640 (E_RNA) where: Base-Base interactions energy: -691.223 where: short stacking energy: -341.203 Base-Backbone interact. energy: 2.938 local terms energy: -495.353204 where: bonds (distance) C4'-P energy: -140.674 bonds (distance) P-C4' energy: -122.604 flat angles C4'-P-C4' energy: -113.187 flat angles P-C4'-P energy: -58.285 tors. eta vs tors. theta energy: -60.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -928.439274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.439274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.439274 (E_RNA) where: Base-Base interactions energy: -492.647 where: short stacking energy: -263.130 Base-Backbone interact. energy: 2.035 local terms energy: -437.828164 where: bonds (distance) C4'-P energy: -120.234 bonds (distance) P-C4' energy: -108.304 flat angles C4'-P-C4' energy: -131.437 flat angles P-C4'-P energy: -73.324 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: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -600.415464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.415464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.415464 (E_RNA) where: Base-Base interactions energy: -210.200 where: short stacking energy: -158.526 Base-Backbone interact. energy: 2.490 local terms energy: -392.705173 where: bonds (distance) C4'-P energy: -119.566 bonds (distance) P-C4' energy: -117.718 flat angles C4'-P-C4' energy: -102.870 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: 17.350 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: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2583.501063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.501063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.501063 (E_RNA) where: Base-Base interactions energy: -1755.473 where: short stacking energy: -748.142 Base-Backbone interact. energy: -3.480 local terms energy: -824.547413 where: bonds (distance) C4'-P energy: -162.927 bonds (distance) P-C4' energy: -149.908 flat angles C4'-P-C4' energy: -166.849 flat angles P-C4'-P energy: -112.845 tors. eta vs tors. theta energy: -232.019 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: 226 Temperature: 0.950000 Total energy: -2498.710788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.710788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.710788 (E_RNA) where: Base-Base interactions energy: -1676.863 where: short stacking energy: -703.314 Base-Backbone interact. energy: -0.220 local terms energy: -821.628097 where: bonds (distance) C4'-P energy: -149.119 bonds (distance) P-C4' energy: -158.927 flat angles C4'-P-C4' energy: -176.584 flat angles P-C4'-P energy: -113.239 tors. eta vs tors. theta energy: -223.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2372.339724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.339724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.339724 (E_RNA) where: Base-Base interactions energy: -1616.685 where: short stacking energy: -656.986 Base-Backbone interact. energy: 0.599 local terms energy: -756.252905 where: bonds (distance) C4'-P energy: -134.082 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -108.673 tors. eta vs tors. theta energy: -199.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2344.249356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.249356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.249356 (E_RNA) where: Base-Base interactions energy: -1617.005 where: short stacking energy: -645.287 Base-Backbone interact. energy: -3.526 local terms energy: -723.718653 where: bonds (distance) C4'-P energy: -134.060 bonds (distance) P-C4' energy: -140.800 flat angles C4'-P-C4' energy: -156.036 flat angles P-C4'-P energy: -108.543 tors. eta vs tors. theta energy: -184.280 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2114.492423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.492423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.492423 (E_RNA) where: Base-Base interactions energy: -1401.343 where: short stacking energy: -623.947 Base-Backbone interact. energy: -4.059 local terms energy: -709.090348 where: bonds (distance) C4'-P energy: -132.335 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -155.868 flat angles P-C4'-P energy: -97.305 tors. eta vs tors. theta energy: -189.765 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: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1868.551224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.551224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.551224 (E_RNA) where: Base-Base interactions energy: -1245.338 where: short stacking energy: -564.893 Base-Backbone interact. energy: -0.604 local terms energy: -622.609046 where: bonds (distance) C4'-P energy: -121.043 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -143.986 flat angles P-C4'-P energy: -76.587 tors. eta vs tors. theta energy: -141.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1509.782871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.782871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.782871 (E_RNA) where: Base-Base interactions energy: -922.129 where: short stacking energy: -443.444 Base-Backbone interact. energy: -0.014 local terms energy: -587.640000 where: bonds (distance) C4'-P energy: -129.588 bonds (distance) P-C4' energy: -120.164 flat angles C4'-P-C4' energy: -143.880 flat angles P-C4'-P energy: -90.452 tors. eta vs tors. theta energy: -103.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1176.636421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.636421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.636421 (E_RNA) where: Base-Base interactions energy: -678.669 where: short stacking energy: -359.877 Base-Backbone interact. energy: -2.347 local terms energy: -495.620951 where: bonds (distance) C4'-P energy: -116.443 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -115.010 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: -61.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -926.503397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.503397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.503397 (E_RNA) where: Base-Base interactions energy: -474.045 where: short stacking energy: -273.157 Base-Backbone interact. energy: -1.182 local terms energy: -451.276123 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -127.089 flat angles C4'-P-C4' energy: -108.742 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: -32.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -574.668732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.668732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.668732 (E_RNA) where: Base-Base interactions energy: -188.725 where: short stacking energy: -147.903 Base-Backbone interact. energy: 5.894 local terms energy: -391.837432 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -109.534 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: 20.130 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: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2614.781057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.781057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.781057 (E_RNA) where: Base-Base interactions energy: -1771.638 where: short stacking energy: -770.461 Base-Backbone interact. energy: -1.892 local terms energy: -841.251648 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -154.192 flat angles C4'-P-C4' energy: -178.041 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -236.166 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: 227 Temperature: 0.950000 Total energy: -2497.981310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.981310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.981310 (E_RNA) where: Base-Base interactions energy: -1709.605 where: short stacking energy: -729.486 Base-Backbone interact. energy: -2.120 local terms energy: -786.256410 where: bonds (distance) C4'-P energy: -136.666 bonds (distance) P-C4' energy: -149.065 flat angles C4'-P-C4' energy: -169.111 flat angles P-C4'-P energy: -116.876 tors. eta vs tors. theta energy: -214.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2349.082076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.082076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.082076 (E_RNA) where: Base-Base interactions energy: -1590.985 where: short stacking energy: -683.135 Base-Backbone interact. energy: 11.274 local terms energy: -769.370984 where: bonds (distance) C4'-P energy: -127.559 bonds (distance) P-C4' energy: -146.327 flat angles C4'-P-C4' energy: -175.866 flat angles P-C4'-P energy: -103.977 tors. eta vs tors. theta energy: -215.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2323.811884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.811884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.811884 (E_RNA) where: Base-Base interactions energy: -1568.179 where: short stacking energy: -625.033 Base-Backbone interact. energy: 2.615 local terms energy: -758.248567 where: bonds (distance) C4'-P energy: -146.684 bonds (distance) P-C4' energy: -161.824 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -99.690 tors. eta vs tors. theta energy: -180.967 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2090.771513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.771513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.771513 (E_RNA) where: Base-Base interactions energy: -1378.627 where: short stacking energy: -584.885 Base-Backbone interact. energy: -2.697 local terms energy: -709.447173 where: bonds (distance) C4'-P energy: -125.866 bonds (distance) P-C4' energy: -139.210 flat angles C4'-P-C4' energy: -158.966 flat angles P-C4'-P energy: -99.692 tors. eta vs tors. theta energy: -185.713 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: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1868.256474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.256474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.256474 (E_RNA) where: Base-Base interactions energy: -1246.193 where: short stacking energy: -542.696 Base-Backbone interact. energy: 3.689 local terms energy: -625.752798 where: bonds (distance) C4'-P energy: -126.022 bonds (distance) P-C4' energy: -134.236 flat angles C4'-P-C4' energy: -150.034 flat angles P-C4'-P energy: -72.472 tors. eta vs tors. theta energy: -142.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1432.493922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.493922 (E_RNA) where: Base-Base interactions energy: -875.437 where: short stacking energy: -394.713 Base-Backbone interact. energy: -3.391 local terms energy: -553.666340 where: bonds (distance) C4'-P energy: -108.144 bonds (distance) P-C4' energy: -149.780 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -83.569 tors. eta vs tors. theta energy: -73.204 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: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1180.885129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.885129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.885129 (E_RNA) where: Base-Base interactions energy: -688.128 where: short stacking energy: -337.541 Base-Backbone interact. energy: 0.099 local terms energy: -492.856166 where: bonds (distance) C4'-P energy: -119.658 bonds (distance) P-C4' energy: -130.717 flat angles C4'-P-C4' energy: -125.159 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -52.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -909.968928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.968928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.968928 (E_RNA) where: Base-Base interactions energy: -473.037 where: short stacking energy: -243.177 Base-Backbone interact. energy: 0.604 local terms energy: -437.535578 where: bonds (distance) C4'-P energy: -141.162 bonds (distance) P-C4' energy: -124.436 flat angles C4'-P-C4' energy: -105.862 flat angles P-C4'-P energy: -54.705 tors. eta vs tors. theta energy: -11.371 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -595.654381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.654381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.654381 (E_RNA) where: Base-Base interactions energy: -227.468 where: short stacking energy: -144.649 Base-Backbone interact. energy: 4.084 local terms energy: -372.270288 where: bonds (distance) C4'-P energy: -115.590 bonds (distance) P-C4' energy: -130.719 flat angles C4'-P-C4' energy: -107.506 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: 39.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2597.813324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.813324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.813324 (E_RNA) where: Base-Base interactions energy: -1795.365 where: short stacking energy: -776.567 Base-Backbone interact. energy: 4.705 local terms energy: -807.153502 where: bonds (distance) C4'-P energy: -137.228 bonds (distance) P-C4' energy: -139.255 flat angles C4'-P-C4' energy: -185.778 flat angles P-C4'-P energy: -115.279 tors. eta vs tors. theta energy: -229.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2483.669297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.669297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.669297 (E_RNA) where: Base-Base interactions energy: -1653.570 where: short stacking energy: -734.422 Base-Backbone interact. energy: 0.866 local terms energy: -830.964786 where: bonds (distance) C4'-P energy: -153.060 bonds (distance) P-C4' energy: -158.090 flat angles C4'-P-C4' energy: -182.753 flat angles P-C4'-P energy: -114.269 tors. eta vs tors. theta energy: -222.794 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: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2371.709081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.709081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.709081 (E_RNA) where: Base-Base interactions energy: -1616.087 where: short stacking energy: -704.708 Base-Backbone interact. energy: 0.502 local terms energy: -756.124426 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -131.099 flat angles C4'-P-C4' energy: -160.181 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -220.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2328.803245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.803245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.803245 (E_RNA) where: Base-Base interactions energy: -1591.627 where: short stacking energy: -663.606 Base-Backbone interact. energy: 3.228 local terms energy: -740.404166 where: bonds (distance) C4'-P energy: -132.194 bonds (distance) P-C4' energy: -154.680 flat angles C4'-P-C4' energy: -152.695 flat angles P-C4'-P energy: -102.688 tors. eta vs tors. theta energy: -198.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2131.149252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.149252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.149252 (E_RNA) where: Base-Base interactions energy: -1465.359 where: short stacking energy: -620.009 Base-Backbone interact. energy: 3.016 local terms energy: -668.806721 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -106.392 flat angles C4'-P-C4' energy: -146.119 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -181.682 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: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1939.190901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.190901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.190901 (E_RNA) where: Base-Base interactions energy: -1285.379 where: short stacking energy: -569.234 Base-Backbone interact. energy: -1.160 local terms energy: -652.651588 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -143.829 flat angles P-C4'-P energy: -93.902 tors. eta vs tors. theta energy: -158.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1422.511857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.511857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.511857 (E_RNA) where: Base-Base interactions energy: -878.219 where: short stacking energy: -388.424 Base-Backbone interact. energy: -2.493 local terms energy: -541.799710 where: bonds (distance) C4'-P energy: -121.844 bonds (distance) P-C4' energy: -132.340 flat angles C4'-P-C4' energy: -128.722 flat angles P-C4'-P energy: -83.897 tors. eta vs tors. theta energy: -74.997 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: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1172.116216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.116216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.116216 (E_RNA) where: Base-Base interactions energy: -709.915 where: short stacking energy: -364.257 Base-Backbone interact. energy: 5.814 local terms energy: -468.015658 where: bonds (distance) C4'-P energy: -125.695 bonds (distance) P-C4' energy: -109.300 flat angles C4'-P-C4' energy: -120.454 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -44.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -863.725303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.725303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.725303 (E_RNA) where: Base-Base interactions energy: -439.675 where: short stacking energy: -266.781 Base-Backbone interact. energy: -2.252 local terms energy: -421.798797 where: bonds (distance) C4'-P energy: -125.150 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -100.102 flat angles P-C4'-P energy: -51.652 tors. eta vs tors. theta energy: -20.938 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: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -672.262922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.262922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.262922 (E_RNA) where: Base-Base interactions energy: -298.480 where: short stacking energy: -172.322 Base-Backbone interact. energy: 2.231 local terms energy: -376.013499 where: bonds (distance) C4'-P energy: -98.680 bonds (distance) P-C4' energy: -140.255 flat angles C4'-P-C4' energy: -120.150 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: 27.081 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: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2584.938510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.938510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.938510 (E_RNA) where: Base-Base interactions energy: -1778.969 where: short stacking energy: -751.852 Base-Backbone interact. energy: -4.120 local terms energy: -801.849664 where: bonds (distance) C4'-P energy: -148.274 bonds (distance) P-C4' energy: -151.751 flat angles C4'-P-C4' energy: -169.024 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -224.821 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: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2522.961508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.961508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.961508 (E_RNA) where: Base-Base interactions energy: -1734.868 where: short stacking energy: -746.303 Base-Backbone interact. energy: -0.534 local terms energy: -787.560063 where: bonds (distance) C4'-P energy: -147.132 bonds (distance) P-C4' energy: -140.578 flat angles C4'-P-C4' energy: -159.755 flat angles P-C4'-P energy: -113.543 tors. eta vs tors. theta energy: -226.552 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2355.915319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.915319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.915319 (E_RNA) where: Base-Base interactions energy: -1596.087 where: short stacking energy: -674.613 Base-Backbone interact. energy: -2.154 local terms energy: -757.674521 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -159.825 flat angles P-C4'-P energy: -109.051 tors. eta vs tors. theta energy: -207.143 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: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2282.784458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.784458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.784458 (E_RNA) where: Base-Base interactions energy: -1573.032 where: short stacking energy: -626.381 Base-Backbone interact. energy: 4.490 local terms energy: -714.242542 where: bonds (distance) C4'-P energy: -123.738 bonds (distance) P-C4' energy: -154.267 flat angles C4'-P-C4' energy: -143.650 flat angles P-C4'-P energy: -109.269 tors. eta vs tors. theta energy: -183.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2144.137130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.137130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.137130 (E_RNA) where: Base-Base interactions energy: -1426.702 where: short stacking energy: -622.482 Base-Backbone interact. energy: 6.874 local terms energy: -724.309005 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -160.258 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -194.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1961.902042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.902042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.902042 (E_RNA) where: Base-Base interactions energy: -1305.801 where: short stacking energy: -553.522 Base-Backbone interact. energy: 2.140 local terms energy: -658.240335 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -136.082 flat angles C4'-P-C4' energy: -160.162 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -146.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1465.940244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.940244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.940244 (E_RNA) where: Base-Base interactions energy: -898.260 where: short stacking energy: -415.094 Base-Backbone interact. energy: -1.824 local terms energy: -565.856053 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -135.985 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -85.710 tors. eta vs tors. theta energy: -83.942 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: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1098.721846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.721846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.721846 (E_RNA) where: Base-Base interactions energy: -628.356 where: short stacking energy: -311.796 Base-Backbone interact. energy: -1.738 local terms energy: -468.627931 where: bonds (distance) C4'-P energy: -136.078 bonds (distance) P-C4' energy: -144.625 flat angles C4'-P-C4' energy: -100.899 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: -18.115 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: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -814.475207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.475207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.475207 (E_RNA) where: Base-Base interactions energy: -385.534 where: short stacking energy: -213.881 Base-Backbone interact. energy: 6.207 local terms energy: -435.147933 where: bonds (distance) C4'-P energy: -107.806 bonds (distance) P-C4' energy: -145.222 flat angles C4'-P-C4' energy: -116.107 flat angles P-C4'-P energy: -84.564 tors. eta vs tors. theta energy: 18.551 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: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -630.845465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.845465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.845465 (E_RNA) where: Base-Base interactions energy: -253.196 where: short stacking energy: -175.283 Base-Backbone interact. energy: 1.312 local terms energy: -378.961833 where: bonds (distance) C4'-P energy: -122.752 bonds (distance) P-C4' energy: -134.340 flat angles C4'-P-C4' energy: -102.465 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: 44.515 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: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2574.015772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.015772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.015772 (E_RNA) where: Base-Base interactions energy: -1756.583 where: short stacking energy: -727.080 Base-Backbone interact. energy: -1.141 local terms energy: -816.292093 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -160.930 flat angles P-C4'-P energy: -115.224 tors. eta vs tors. theta energy: -227.424 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: 230 Temperature: 0.950000 Total energy: -2499.489527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.489527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.489527 (E_RNA) where: Base-Base interactions energy: -1707.543 where: short stacking energy: -749.317 Base-Backbone interact. energy: -3.731 local terms energy: -788.215237 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -141.327 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -102.648 tors. eta vs tors. theta energy: -223.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2361.415825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.415825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.415825 (E_RNA) where: Base-Base interactions energy: -1591.304 where: short stacking energy: -671.968 Base-Backbone interact. energy: -1.740 local terms energy: -768.371722 where: bonds (distance) C4'-P energy: -137.855 bonds (distance) P-C4' energy: -158.914 flat angles C4'-P-C4' energy: -166.497 flat angles P-C4'-P energy: -102.824 tors. eta vs tors. theta energy: -202.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2303.208323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.208323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.208323 (E_RNA) where: Base-Base interactions energy: -1578.267 where: short stacking energy: -663.348 Base-Backbone interact. energy: -0.505 local terms energy: -724.435675 where: bonds (distance) C4'-P energy: -136.430 bonds (distance) P-C4' energy: -148.283 flat angles C4'-P-C4' energy: -155.035 flat angles P-C4'-P energy: -89.681 tors. eta vs tors. theta energy: -195.006 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: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2132.641000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.641000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.641000 (E_RNA) where: Base-Base interactions energy: -1410.846 where: short stacking energy: -604.448 Base-Backbone interact. energy: -3.237 local terms energy: -718.558370 where: bonds (distance) C4'-P energy: -151.258 bonds (distance) P-C4' energy: -140.671 flat angles C4'-P-C4' energy: -141.553 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -187.987 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: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1891.600869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.600869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.600869 (E_RNA) where: Base-Base interactions energy: -1191.808 where: short stacking energy: -526.641 Base-Backbone interact. energy: -1.629 local terms energy: -698.164085 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -139.687 flat angles C4'-P-C4' energy: -149.412 flat angles P-C4'-P energy: -105.369 tors. eta vs tors. theta energy: -159.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1434.396432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.396432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.396432 (E_RNA) where: Base-Base interactions energy: -921.390 where: short stacking energy: -411.092 Base-Backbone interact. energy: 1.630 local terms energy: -514.636940 where: bonds (distance) C4'-P energy: -115.089 bonds (distance) P-C4' energy: -121.700 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -73.921 tors. eta vs tors. theta energy: -73.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1201.821479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.821479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.821479 (E_RNA) where: Base-Base interactions energy: -714.237 where: short stacking energy: -332.521 Base-Backbone interact. energy: -2.333 local terms energy: -485.251805 where: bonds (distance) C4'-P energy: -120.741 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -71.943 tors. eta vs tors. theta energy: -42.211 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: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -651.667418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.667418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.667418 (E_RNA) where: Base-Base interactions energy: -264.166 where: short stacking energy: -174.377 Base-Backbone interact. energy: 3.181 local terms energy: -390.682356 where: bonds (distance) C4'-P energy: -111.479 bonds (distance) P-C4' energy: -136.323 flat angles C4'-P-C4' energy: -98.700 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: 10.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -704.091317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.091317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.091317 (E_RNA) where: Base-Base interactions energy: -328.162 where: short stacking energy: -199.353 Base-Backbone interact. energy: 4.989 local terms energy: -380.919004 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -135.784 flat angles C4'-P-C4' energy: -99.871 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: 12.952 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: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2616.308553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.308553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.308553 (E_RNA) where: Base-Base interactions energy: -1788.446 where: short stacking energy: -746.851 Base-Backbone interact. energy: 0.395 local terms energy: -828.258008 where: bonds (distance) C4'-P energy: -158.264 bonds (distance) P-C4' energy: -164.587 flat angles C4'-P-C4' energy: -171.179 flat angles P-C4'-P energy: -107.437 tors. eta vs tors. theta energy: -226.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2468.715663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.715663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.715663 (E_RNA) where: Base-Base interactions energy: -1672.427 where: short stacking energy: -734.701 Base-Backbone interact. energy: -3.112 local terms energy: -793.176574 where: bonds (distance) C4'-P energy: -143.511 bonds (distance) P-C4' energy: -135.034 flat angles C4'-P-C4' energy: -171.165 flat angles P-C4'-P energy: -119.093 tors. eta vs tors. theta energy: -224.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2368.811855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.811855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.811855 (E_RNA) where: Base-Base interactions energy: -1585.901 where: short stacking energy: -681.027 Base-Backbone interact. energy: -2.030 local terms energy: -780.881356 where: bonds (distance) C4'-P energy: -149.481 bonds (distance) P-C4' energy: -149.856 flat angles C4'-P-C4' energy: -165.635 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -211.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2302.886615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.886615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.886615 (E_RNA) where: Base-Base interactions energy: -1570.568 where: short stacking energy: -630.001 Base-Backbone interact. energy: 0.663 local terms energy: -732.981055 where: bonds (distance) C4'-P energy: -129.385 bonds (distance) P-C4' energy: -135.554 flat angles C4'-P-C4' energy: -154.717 flat angles P-C4'-P energy: -113.762 tors. eta vs tors. theta energy: -199.563 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2093.876747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.876747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.876747 (E_RNA) where: Base-Base interactions energy: -1380.535 where: short stacking energy: -626.364 Base-Backbone interact. energy: -2.429 local terms energy: -710.912662 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -102.426 tors. eta vs tors. theta energy: -191.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1947.868757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.868757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.868757 (E_RNA) where: Base-Base interactions energy: -1291.864 where: short stacking energy: -576.681 Base-Backbone interact. energy: -2.283 local terms energy: -653.721311 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -127.167 flat angles C4'-P-C4' energy: -141.706 flat angles P-C4'-P energy: -81.826 tors. eta vs tors. theta energy: -163.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1487.355499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.355499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.355499 (E_RNA) where: Base-Base interactions energy: -920.573 where: short stacking energy: -416.851 Base-Backbone interact. energy: -5.722 local terms energy: -561.060905 where: bonds (distance) C4'-P energy: -129.444 bonds (distance) P-C4' energy: -137.130 flat angles C4'-P-C4' energy: -120.609 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -89.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1188.104686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.104686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.104686 (E_RNA) where: Base-Base interactions energy: -701.447 where: short stacking energy: -333.083 Base-Backbone interact. energy: 6.399 local terms energy: -493.056131 where: bonds (distance) C4'-P energy: -128.448 bonds (distance) P-C4' energy: -112.987 flat angles C4'-P-C4' energy: -123.690 flat angles P-C4'-P energy: -84.278 tors. eta vs tors. theta energy: -43.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -650.601686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.601686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.601686 (E_RNA) where: Base-Base interactions energy: -262.653 where: short stacking energy: -149.359 Base-Backbone interact. energy: 3.052 local terms energy: -390.999925 where: bonds (distance) C4'-P energy: -124.519 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -113.463 flat angles P-C4'-P energy: -49.061 tors. eta vs tors. theta energy: 22.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -716.424025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.424025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.424025 (E_RNA) where: Base-Base interactions energy: -327.750 where: short stacking energy: -204.889 Base-Backbone interact. energy: 3.214 local terms energy: -391.887474 where: bonds (distance) C4'-P energy: -104.737 bonds (distance) P-C4' energy: -127.762 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -54.692 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2625.778027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.778027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.778027 (E_RNA) where: Base-Base interactions energy: -1791.972 where: short stacking energy: -783.924 Base-Backbone interact. energy: -1.440 local terms energy: -832.366037 where: bonds (distance) C4'-P energy: -149.842 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -188.460 flat angles P-C4'-P energy: -107.052 tors. eta vs tors. theta energy: -234.779 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: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2473.797261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.797261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.797261 (E_RNA) where: Base-Base interactions energy: -1654.996 where: short stacking energy: -711.172 Base-Backbone interact. energy: -1.031 local terms energy: -817.770284 where: bonds (distance) C4'-P energy: -150.421 bonds (distance) P-C4' energy: -150.280 flat angles C4'-P-C4' energy: -185.302 flat angles P-C4'-P energy: -109.072 tors. eta vs tors. theta energy: -222.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2376.435854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.435854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.435854 (E_RNA) where: Base-Base interactions energy: -1613.780 where: short stacking energy: -698.183 Base-Backbone interact. energy: 3.267 local terms energy: -765.922449 where: bonds (distance) C4'-P energy: -128.579 bonds (distance) P-C4' energy: -147.431 flat angles C4'-P-C4' energy: -167.513 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -209.227 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: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2308.482163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.482163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.482163 (E_RNA) where: Base-Base interactions energy: -1597.024 where: short stacking energy: -638.903 Base-Backbone interact. energy: -0.888 local terms energy: -710.570285 where: bonds (distance) C4'-P energy: -135.441 bonds (distance) P-C4' energy: -136.699 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -191.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2074.038582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.038582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.038582 (E_RNA) where: Base-Base interactions energy: -1414.593 where: short stacking energy: -602.948 Base-Backbone interact. energy: -1.515 local terms energy: -657.930281 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -120.530 flat angles C4'-P-C4' energy: -145.618 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -183.162 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: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2010.497327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.497327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.497327 (E_RNA) where: Base-Base interactions energy: -1322.805 where: short stacking energy: -598.791 Base-Backbone interact. energy: 0.088 local terms energy: -687.781147 where: bonds (distance) C4'-P energy: -134.218 bonds (distance) P-C4' energy: -146.625 flat angles C4'-P-C4' energy: -155.847 flat angles P-C4'-P energy: -93.038 tors. eta vs tors. theta energy: -158.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1415.142742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.142742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.142742 (E_RNA) where: Base-Base interactions energy: -904.308 where: short stacking energy: -393.507 Base-Backbone interact. energy: -1.923 local terms energy: -508.911381 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -139.060 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -78.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1200.356383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.356383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.356383 (E_RNA) where: Base-Base interactions energy: -743.227 where: short stacking energy: -357.937 Base-Backbone interact. energy: -4.594 local terms energy: -452.535333 where: bonds (distance) C4'-P energy: -113.446 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -50.582 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -793.490652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.490652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.490652 (E_RNA) where: Base-Base interactions energy: -381.118 where: short stacking energy: -244.281 Base-Backbone interact. energy: -2.569 local terms energy: -409.803251 where: bonds (distance) C4'-P energy: -100.438 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -103.821 flat angles P-C4'-P energy: -74.854 tors. eta vs tors. theta energy: 2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -611.304535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.304535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.304535 (E_RNA) where: Base-Base interactions energy: -252.194 where: short stacking energy: -176.451 Base-Backbone interact. energy: 2.739 local terms energy: -361.848712 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -104.882 flat angles C4'-P-C4' energy: -108.164 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: 32.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2619.596712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.596712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.596712 (E_RNA) where: Base-Base interactions energy: -1771.793 where: short stacking energy: -755.669 Base-Backbone interact. energy: -0.278 local terms energy: -847.526066 where: bonds (distance) C4'-P energy: -153.368 bonds (distance) P-C4' energy: -170.997 flat angles C4'-P-C4' energy: -173.293 flat angles P-C4'-P energy: -123.448 tors. eta vs tors. theta energy: -226.421 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: 233 Temperature: 0.950000 Total energy: -2442.071563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.071563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.071563 (E_RNA) where: Base-Base interactions energy: -1647.830 where: short stacking energy: -707.512 Base-Backbone interact. energy: -2.644 local terms energy: -791.597890 where: bonds (distance) C4'-P energy: -151.416 bonds (distance) P-C4' energy: -145.086 flat angles C4'-P-C4' energy: -164.894 flat angles P-C4'-P energy: -119.596 tors. eta vs tors. theta energy: -210.605 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2424.437224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.437224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.437224 (E_RNA) where: Base-Base interactions energy: -1652.154 where: short stacking energy: -710.605 Base-Backbone interact. energy: -0.528 local terms energy: -771.755034 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -172.323 flat angles P-C4'-P energy: -110.728 tors. eta vs tors. theta energy: -210.155 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: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2298.900112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.900112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.900112 (E_RNA) where: Base-Base interactions energy: -1571.010 where: short stacking energy: -644.411 Base-Backbone interact. energy: -3.392 local terms energy: -724.497851 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -150.684 flat angles C4'-P-C4' energy: -161.204 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: -201.743 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: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2093.427559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.427559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.427559 (E_RNA) where: Base-Base interactions energy: -1355.019 where: short stacking energy: -602.342 Base-Backbone interact. energy: -0.658 local terms energy: -737.750509 where: bonds (distance) C4'-P energy: -145.273 bonds (distance) P-C4' energy: -140.903 flat angles C4'-P-C4' energy: -161.282 flat angles P-C4'-P energy: -105.801 tors. eta vs tors. theta energy: -184.492 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: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1918.334136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.334136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.334136 (E_RNA) where: Base-Base interactions energy: -1282.734 where: short stacking energy: -582.982 Base-Backbone interact. energy: 3.106 local terms energy: -638.706951 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -137.312 flat angles C4'-P-C4' energy: -129.755 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -160.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1415.911415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.911415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.911415 (E_RNA) where: Base-Base interactions energy: -868.917 where: short stacking energy: -400.138 Base-Backbone interact. energy: -3.771 local terms energy: -543.224053 where: bonds (distance) C4'-P energy: -134.910 bonds (distance) P-C4' energy: -121.497 flat angles C4'-P-C4' energy: -127.324 flat angles P-C4'-P energy: -67.647 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: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1228.923807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.923807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.923807 (E_RNA) where: Base-Base interactions energy: -747.904 where: short stacking energy: -345.631 Base-Backbone interact. energy: 3.372 local terms energy: -484.391408 where: bonds (distance) C4'-P energy: -120.672 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -113.358 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: -48.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -776.289772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.289772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.289772 (E_RNA) where: Base-Base interactions energy: -370.526 where: short stacking energy: -222.418 Base-Backbone interact. energy: -0.588 local terms energy: -405.175678 where: bonds (distance) C4'-P energy: -125.710 bonds (distance) P-C4' energy: -124.434 flat angles C4'-P-C4' energy: -119.998 flat angles P-C4'-P energy: -41.057 tors. eta vs tors. theta energy: 6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -556.336150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.336150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.336150 (E_RNA) where: Base-Base interactions energy: -185.124 where: short stacking energy: -147.744 Base-Backbone interact. energy: 5.753 local terms energy: -376.966049 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -117.888 flat angles C4'-P-C4' energy: -104.277 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: 28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2607.366281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.366281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.366281 (E_RNA) where: Base-Base interactions energy: -1776.608 where: short stacking energy: -744.329 Base-Backbone interact. energy: -1.602 local terms energy: -829.156534 where: bonds (distance) C4'-P energy: -161.221 bonds (distance) P-C4' energy: -144.283 flat angles C4'-P-C4' energy: -171.817 flat angles P-C4'-P energy: -114.234 tors. eta vs tors. theta energy: -237.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2486.920359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.920359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.920359 (E_RNA) where: Base-Base interactions energy: -1699.248 where: short stacking energy: -706.931 Base-Backbone interact. energy: -3.678 local terms energy: -783.994767 where: bonds (distance) C4'-P energy: -135.370 bonds (distance) P-C4' energy: -146.511 flat angles C4'-P-C4' energy: -183.997 flat angles P-C4'-P energy: -105.497 tors. eta vs tors. theta energy: -212.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2424.550504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.550504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.550504 (E_RNA) where: Base-Base interactions energy: -1650.496 where: short stacking energy: -707.948 Base-Backbone interact. energy: -2.690 local terms energy: -771.365104 where: bonds (distance) C4'-P energy: -138.076 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -170.815 flat angles P-C4'-P energy: -101.476 tors. eta vs tors. theta energy: -215.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2325.101633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.101633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.101633 (E_RNA) where: Base-Base interactions energy: -1568.283 where: short stacking energy: -663.408 Base-Backbone interact. energy: -3.475 local terms energy: -753.343356 where: bonds (distance) C4'-P energy: -137.621 bonds (distance) P-C4' energy: -142.768 flat angles C4'-P-C4' energy: -154.609 flat angles P-C4'-P energy: -112.149 tors. eta vs tors. theta energy: -206.197 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: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2084.385835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.385835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.385835 (E_RNA) where: Base-Base interactions energy: -1391.808 where: short stacking energy: -588.449 Base-Backbone interact. energy: -3.980 local terms energy: -688.598176 where: bonds (distance) C4'-P energy: -128.218 bonds (distance) P-C4' energy: -143.258 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -157.149 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: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1953.466504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.466504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.466504 (E_RNA) where: Base-Base interactions energy: -1292.776 where: short stacking energy: -571.943 Base-Backbone interact. energy: -2.044 local terms energy: -658.646502 where: bonds (distance) C4'-P energy: -138.222 bonds (distance) P-C4' energy: -135.596 flat angles C4'-P-C4' energy: -145.984 flat angles P-C4'-P energy: -84.938 tors. eta vs tors. theta energy: -153.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1362.012169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.012169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.012169 (E_RNA) where: Base-Base interactions energy: -832.623 where: short stacking energy: -405.432 Base-Backbone interact. energy: -0.559 local terms energy: -528.829984 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -142.979 flat angles C4'-P-C4' energy: -103.183 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: -60.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1221.121298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.121298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.121298 (E_RNA) where: Base-Base interactions energy: -724.421 where: short stacking energy: -321.454 Base-Backbone interact. energy: -2.108 local terms energy: -494.592402 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -107.065 flat angles C4'-P-C4' energy: -136.698 flat angles P-C4'-P energy: -72.965 tors. eta vs tors. theta energy: -34.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -725.867403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.867403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.867403 (E_RNA) where: Base-Base interactions energy: -303.021 where: short stacking energy: -197.271 Base-Backbone interact. energy: -4.644 local terms energy: -418.201649 where: bonds (distance) C4'-P energy: -120.675 bonds (distance) P-C4' energy: -138.772 flat angles C4'-P-C4' energy: -96.703 flat angles P-C4'-P energy: -74.276 tors. eta vs tors. theta energy: 12.225 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: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -574.146958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.146958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.146958 (E_RNA) where: Base-Base interactions energy: -203.239 where: short stacking energy: -151.481 Base-Backbone interact. energy: -1.361 local terms energy: -369.547167 where: bonds (distance) C4'-P energy: -113.455 bonds (distance) P-C4' energy: -127.805 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: 31.971 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2577.447138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.447138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.447138 (E_RNA) where: Base-Base interactions energy: -1757.758 where: short stacking energy: -758.190 Base-Backbone interact. energy: 2.908 local terms energy: -822.597692 where: bonds (distance) C4'-P energy: -146.048 bonds (distance) P-C4' energy: -153.733 flat angles C4'-P-C4' energy: -177.189 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -238.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2504.283388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.283388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.283388 (E_RNA) where: Base-Base interactions energy: -1700.540 where: short stacking energy: -743.114 Base-Backbone interact. energy: -1.492 local terms energy: -802.250780 where: bonds (distance) C4'-P energy: -141.457 bonds (distance) P-C4' energy: -153.455 flat angles C4'-P-C4' energy: -162.475 flat angles P-C4'-P energy: -114.479 tors. eta vs tors. theta energy: -230.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2423.989694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.989694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.989694 (E_RNA) where: Base-Base interactions energy: -1659.340 where: short stacking energy: -725.600 Base-Backbone interact. energy: -2.734 local terms energy: -761.915601 where: bonds (distance) C4'-P energy: -127.323 bonds (distance) P-C4' energy: -150.334 flat angles C4'-P-C4' energy: -169.124 flat angles P-C4'-P energy: -100.445 tors. eta vs tors. theta energy: -214.690 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: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2319.394753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.394753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.394753 (E_RNA) where: Base-Base interactions energy: -1556.470 where: short stacking energy: -642.091 Base-Backbone interact. energy: -1.304 local terms energy: -761.620654 where: bonds (distance) C4'-P energy: -149.715 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -150.749 flat angles P-C4'-P energy: -120.852 tors. eta vs tors. theta energy: -207.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2099.079085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.079085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.079085 (E_RNA) where: Base-Base interactions energy: -1409.653 where: short stacking energy: -612.051 Base-Backbone interact. energy: 1.740 local terms energy: -691.165727 where: bonds (distance) C4'-P energy: -116.999 bonds (distance) P-C4' energy: -138.812 flat angles C4'-P-C4' energy: -160.724 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -178.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1909.986844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.986844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.986844 (E_RNA) where: Base-Base interactions energy: -1233.716 where: short stacking energy: -535.144 Base-Backbone interact. energy: 2.542 local terms energy: -678.812943 where: bonds (distance) C4'-P energy: -141.045 bonds (distance) P-C4' energy: -131.376 flat angles C4'-P-C4' energy: -153.097 flat angles P-C4'-P energy: -106.928 tors. eta vs tors. theta energy: -146.368 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: 235 Temperature: 1.200000 Total energy: -1398.779030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.779030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.779030 (E_RNA) where: Base-Base interactions energy: -833.560 where: short stacking energy: -386.968 Base-Backbone interact. energy: -3.721 local terms energy: -561.498058 where: bonds (distance) C4'-P energy: -125.932 bonds (distance) P-C4' energy: -149.941 flat angles C4'-P-C4' energy: -120.679 flat angles P-C4'-P energy: -84.880 tors. eta vs tors. theta energy: -80.066 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: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1257.507745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.507745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.507745 (E_RNA) where: Base-Base interactions energy: -767.271 where: short stacking energy: -356.343 Base-Backbone interact. energy: 5.789 local terms energy: -496.025697 where: bonds (distance) C4'-P energy: -110.665 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -120.124 flat angles P-C4'-P energy: -65.679 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: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -694.172666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.172666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.172666 (E_RNA) where: Base-Base interactions energy: -299.662 where: short stacking energy: -187.538 Base-Backbone interact. energy: 0.949 local terms energy: -395.459576 where: bonds (distance) C4'-P energy: -126.146 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -110.527 flat angles P-C4'-P energy: -67.726 tors. eta vs tors. theta energy: 30.316 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -564.924528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.924528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.924528 (E_RNA) where: Base-Base interactions energy: -187.784 where: short stacking energy: -161.798 Base-Backbone interact. energy: -0.075 local terms energy: -377.066084 where: bonds (distance) C4'-P energy: -128.104 bonds (distance) P-C4' energy: -119.304 flat angles C4'-P-C4' energy: -104.744 flat angles P-C4'-P energy: -49.190 tors. eta vs tors. theta energy: 24.276 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: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2587.555655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.555655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.555655 (E_RNA) where: Base-Base interactions energy: -1774.558 where: short stacking energy: -750.379 Base-Backbone interact. energy: -2.133 local terms energy: -810.864213 where: bonds (distance) C4'-P energy: -149.110 bonds (distance) P-C4' energy: -163.718 flat angles C4'-P-C4' energy: -166.512 flat angles P-C4'-P energy: -111.586 tors. eta vs tors. theta energy: -219.938 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: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2443.070027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.070027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.070027 (E_RNA) where: Base-Base interactions energy: -1650.404 where: short stacking energy: -737.530 Base-Backbone interact. energy: -1.473 local terms energy: -791.192634 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -142.236 flat angles C4'-P-C4' energy: -178.052 flat angles P-C4'-P energy: -115.175 tors. eta vs tors. theta energy: -217.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2357.541193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.541193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.541193 (E_RNA) where: Base-Base interactions energy: -1632.733 where: short stacking energy: -687.355 Base-Backbone interact. energy: -5.188 local terms energy: -719.620327 where: bonds (distance) C4'-P energy: -132.490 bonds (distance) P-C4' energy: -155.666 flat angles C4'-P-C4' energy: -143.048 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -201.321 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: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2313.680638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.680638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.680638 (E_RNA) where: Base-Base interactions energy: -1572.757 where: short stacking energy: -672.875 Base-Backbone interact. energy: 2.733 local terms energy: -743.656351 where: bonds (distance) C4'-P energy: -143.692 bonds (distance) P-C4' energy: -142.943 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -106.246 tors. eta vs tors. theta energy: -197.824 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: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2076.848285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.848285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.848285 (E_RNA) where: Base-Base interactions energy: -1376.971 where: short stacking energy: -603.473 Base-Backbone interact. energy: -3.059 local terms energy: -696.818267 where: bonds (distance) C4'-P energy: -141.714 bonds (distance) P-C4' energy: -124.878 flat angles C4'-P-C4' energy: -161.908 flat angles P-C4'-P energy: -95.092 tors. eta vs tors. theta energy: -173.226 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: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1910.058115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.058115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.058115 (E_RNA) where: Base-Base interactions energy: -1249.166 where: short stacking energy: -550.975 Base-Backbone interact. energy: 0.340 local terms energy: -661.232847 where: bonds (distance) C4'-P energy: -132.924 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -160.999 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -146.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1402.431424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.431424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.431424 (E_RNA) where: Base-Base interactions energy: -879.431 where: short stacking energy: -373.722 Base-Backbone interact. energy: -2.839 local terms energy: -520.161042 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -127.215 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -65.279 tors. eta vs tors. theta energy: -63.808 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: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1223.544273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.544273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.544273 (E_RNA) where: Base-Base interactions energy: -720.131 where: short stacking energy: -340.092 Base-Backbone interact. energy: 2.001 local terms energy: -505.414434 where: bonds (distance) C4'-P energy: -125.458 bonds (distance) P-C4' energy: -126.075 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -85.914 tors. eta vs tors. theta energy: -55.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -700.385333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.385333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.385333 (E_RNA) where: Base-Base interactions energy: -292.647 where: short stacking energy: -164.201 Base-Backbone interact. energy: -2.075 local terms energy: -405.663079 where: bonds (distance) C4'-P energy: -143.010 bonds (distance) P-C4' energy: -118.124 flat angles C4'-P-C4' energy: -115.930 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: 37.626 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: 236 Temperature: 1.350000 Total energy: -553.065332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.065332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.065332 (E_RNA) where: Base-Base interactions energy: -196.937 where: short stacking energy: -139.088 Base-Backbone interact. energy: 2.946 local terms energy: -359.074224 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -126.124 flat angles C4'-P-C4' energy: -104.842 flat angles P-C4'-P energy: -37.726 tors. eta vs tors. theta energy: 31.512 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: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2573.623998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.623998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.623998 (E_RNA) where: Base-Base interactions energy: -1768.936 where: short stacking energy: -764.398 Base-Backbone interact. energy: -2.301 local terms energy: -802.386497 where: bonds (distance) C4'-P energy: -142.322 bonds (distance) P-C4' energy: -148.734 flat angles C4'-P-C4' energy: -173.126 flat angles P-C4'-P energy: -105.566 tors. eta vs tors. theta energy: -232.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2462.628478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.628478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.628478 (E_RNA) where: Base-Base interactions energy: -1675.091 where: short stacking energy: -725.662 Base-Backbone interact. energy: -1.194 local terms energy: -786.344277 where: bonds (distance) C4'-P energy: -134.637 bonds (distance) P-C4' energy: -148.647 flat angles C4'-P-C4' energy: -173.261 flat angles P-C4'-P energy: -115.425 tors. eta vs tors. theta energy: -214.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2416.610481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.610481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.610481 (E_RNA) where: Base-Base interactions energy: -1623.516 where: short stacking energy: -694.063 Base-Backbone interact. energy: -1.765 local terms energy: -791.329081 where: bonds (distance) C4'-P energy: -153.404 bonds (distance) P-C4' energy: -156.162 flat angles C4'-P-C4' energy: -164.318 flat angles P-C4'-P energy: -108.779 tors. eta vs tors. theta energy: -208.666 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: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2277.782874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.782874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.782874 (E_RNA) where: Base-Base interactions energy: -1531.096 where: short stacking energy: -611.759 Base-Backbone interact. energy: -0.387 local terms energy: -746.299448 where: bonds (distance) C4'-P energy: -134.314 bonds (distance) P-C4' energy: -150.182 flat angles C4'-P-C4' energy: -164.370 flat angles P-C4'-P energy: -106.022 tors. eta vs tors. theta energy: -191.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2100.902044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.902044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.902044 (E_RNA) where: Base-Base interactions energy: -1404.762 where: short stacking energy: -624.421 Base-Backbone interact. energy: -3.148 local terms energy: -692.991393 where: bonds (distance) C4'-P energy: -130.294 bonds (distance) P-C4' energy: -121.404 flat angles C4'-P-C4' energy: -149.329 flat angles P-C4'-P energy: -110.242 tors. eta vs tors. theta energy: -181.723 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: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1954.022753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.022753 (E_RNA) where: Base-Base interactions energy: -1309.479 where: short stacking energy: -568.645 Base-Backbone interact. energy: 0.357 local terms energy: -644.901042 where: bonds (distance) C4'-P energy: -135.273 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -140.544 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -155.907 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: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1406.329629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.329629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.329629 (E_RNA) where: Base-Base interactions energy: -866.549 where: short stacking energy: -403.943 Base-Backbone interact. energy: 1.226 local terms energy: -541.006890 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -117.853 flat angles C4'-P-C4' energy: -139.422 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -75.573 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1214.833085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.833085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.833085 (E_RNA) where: Base-Base interactions energy: -732.719 where: short stacking energy: -341.552 Base-Backbone interact. energy: -1.237 local terms energy: -480.876537 where: bonds (distance) C4'-P energy: -110.812 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -127.833 flat angles P-C4'-P energy: -69.955 tors. eta vs tors. theta energy: -42.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -681.689134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.689134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.689134 (E_RNA) where: Base-Base interactions energy: -272.271 where: short stacking energy: -179.077 Base-Backbone interact. energy: 1.226 local terms energy: -410.643515 where: bonds (distance) C4'-P energy: -115.390 bonds (distance) P-C4' energy: -127.960 flat angles C4'-P-C4' energy: -104.876 flat angles P-C4'-P energy: -82.514 tors. eta vs tors. theta energy: 20.096 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: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -550.615399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.615399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.615399 (E_RNA) where: Base-Base interactions energy: -173.185 where: short stacking energy: -119.834 Base-Backbone interact. energy: -1.513 local terms energy: -375.917848 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -137.277 flat angles C4'-P-C4' energy: -82.349 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: 31.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2606.620315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.620315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.620315 (E_RNA) where: Base-Base interactions energy: -1786.165 where: short stacking energy: -745.959 Base-Backbone interact. energy: -0.184 local terms energy: -820.271746 where: bonds (distance) C4'-P energy: -152.345 bonds (distance) P-C4' energy: -148.794 flat angles C4'-P-C4' energy: -169.246 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -239.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2518.150983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.150983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.150983 (E_RNA) where: Base-Base interactions energy: -1711.182 where: short stacking energy: -752.750 Base-Backbone interact. energy: 3.758 local terms energy: -810.727513 where: bonds (distance) C4'-P energy: -127.217 bonds (distance) P-C4' energy: -156.764 flat angles C4'-P-C4' energy: -178.277 flat angles P-C4'-P energy: -115.158 tors. eta vs tors. theta energy: -233.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2385.753973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.753973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.753973 (E_RNA) where: Base-Base interactions energy: -1633.911 where: short stacking energy: -669.990 Base-Backbone interact. energy: -3.317 local terms energy: -748.526600 where: bonds (distance) C4'-P energy: -123.983 bonds (distance) P-C4' energy: -147.963 flat angles C4'-P-C4' energy: -168.012 flat angles P-C4'-P energy: -108.047 tors. eta vs tors. theta energy: -200.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2293.047757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.047757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.047757 (E_RNA) where: Base-Base interactions energy: -1549.766 where: short stacking energy: -636.685 Base-Backbone interact. energy: -2.839 local terms energy: -740.441930 where: bonds (distance) C4'-P energy: -145.133 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -165.251 flat angles P-C4'-P energy: -103.279 tors. eta vs tors. theta energy: -184.452 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: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2076.068359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.068359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.068359 (E_RNA) where: Base-Base interactions energy: -1386.941 where: short stacking energy: -592.837 Base-Backbone interact. energy: 3.248 local terms energy: -692.375764 where: bonds (distance) C4'-P energy: -126.848 bonds (distance) P-C4' energy: -138.473 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -179.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1983.720909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.720909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.720909 (E_RNA) where: Base-Base interactions energy: -1343.695 where: short stacking energy: -568.840 Base-Backbone interact. energy: -0.043 local terms energy: -639.982478 where: bonds (distance) C4'-P energy: -124.025 bonds (distance) P-C4' energy: -106.080 flat angles C4'-P-C4' energy: -145.432 flat angles P-C4'-P energy: -96.976 tors. eta vs tors. theta energy: -167.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1398.596444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.596444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.596444 (E_RNA) where: Base-Base interactions energy: -858.448 where: short stacking energy: -407.767 Base-Backbone interact. energy: 0.122 local terms energy: -540.269898 where: bonds (distance) C4'-P energy: -137.633 bonds (distance) P-C4' energy: -131.602 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -95.861 tors. eta vs tors. theta energy: -61.774 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: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1265.243248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.243248 (E_RNA) where: Base-Base interactions energy: -755.725 where: short stacking energy: -343.330 Base-Backbone interact. energy: -0.816 local terms energy: -508.702727 where: bonds (distance) C4'-P energy: -132.590 bonds (distance) P-C4' energy: -110.325 flat angles C4'-P-C4' energy: -129.278 flat angles P-C4'-P energy: -75.863 tors. eta vs tors. theta energy: -60.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -737.655297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.655297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.655297 (E_RNA) where: Base-Base interactions energy: -291.652 where: short stacking energy: -153.439 Base-Backbone interact. energy: 6.325 local terms energy: -452.328876 where: bonds (distance) C4'-P energy: -140.051 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -130.141 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: 25.287 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: 238 Temperature: 1.350000 Total energy: -545.086676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.086676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.086676 (E_RNA) where: Base-Base interactions energy: -173.266 where: short stacking energy: -128.112 Base-Backbone interact. energy: -0.926 local terms energy: -370.894150 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -120.157 flat angles C4'-P-C4' energy: -100.659 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: 25.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2601.281983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.281983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.281983 (E_RNA) where: Base-Base interactions energy: -1763.383 where: short stacking energy: -752.389 Base-Backbone interact. energy: 0.616 local terms energy: -838.514755 where: bonds (distance) C4'-P energy: -154.036 bonds (distance) P-C4' energy: -168.001 flat angles C4'-P-C4' energy: -171.909 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -235.036 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: 239 Temperature: 0.950000 Total energy: -2473.082226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.082226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.082226 (E_RNA) where: Base-Base interactions energy: -1701.578 where: short stacking energy: -742.929 Base-Backbone interact. energy: -3.021 local terms energy: -768.483500 where: bonds (distance) C4'-P energy: -144.982 bonds (distance) P-C4' energy: -147.816 flat angles C4'-P-C4' energy: -163.897 flat angles P-C4'-P energy: -107.527 tors. eta vs tors. theta energy: -204.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2420.872878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.872878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.872878 (E_RNA) where: Base-Base interactions energy: -1649.234 where: short stacking energy: -674.865 Base-Backbone interact. energy: -2.398 local terms energy: -769.241389 where: bonds (distance) C4'-P energy: -153.461 bonds (distance) P-C4' energy: -140.072 flat angles C4'-P-C4' energy: -162.400 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -205.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2295.899470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.899470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.899470 (E_RNA) where: Base-Base interactions energy: -1566.810 where: short stacking energy: -630.607 Base-Backbone interact. energy: -0.442 local terms energy: -728.647204 where: bonds (distance) C4'-P energy: -146.720 bonds (distance) P-C4' energy: -133.793 flat angles C4'-P-C4' energy: -152.961 flat angles P-C4'-P energy: -103.460 tors. eta vs tors. theta energy: -191.712 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2043.861964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.861964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.861964 (E_RNA) where: Base-Base interactions energy: -1357.403 where: short stacking energy: -614.364 Base-Backbone interact. energy: -4.057 local terms energy: -682.401466 where: bonds (distance) C4'-P energy: -132.617 bonds (distance) P-C4' energy: -120.708 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -179.174 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: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1922.043489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.043489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.043489 (E_RNA) where: Base-Base interactions energy: -1285.121 where: short stacking energy: -542.159 Base-Backbone interact. energy: -1.760 local terms energy: -635.162160 where: bonds (distance) C4'-P energy: -129.738 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -138.776 flat angles P-C4'-P energy: -82.575 tors. eta vs tors. theta energy: -150.243 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: 239 Temperature: 1.200000 Total energy: -1397.925082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.925082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.925082 (E_RNA) where: Base-Base interactions energy: -888.610 where: short stacking energy: -413.686 Base-Backbone interact. energy: 2.462 local terms energy: -511.777112 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -136.154 flat angles C4'-P-C4' energy: -100.599 flat angles P-C4'-P energy: -81.141 tors. eta vs tors. theta energy: -78.072 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: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1275.508973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.508973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.508973 (E_RNA) where: Base-Base interactions energy: -765.164 where: short stacking energy: -366.697 Base-Backbone interact. energy: -2.892 local terms energy: -507.452568 where: bonds (distance) C4'-P energy: -123.089 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -124.069 flat angles P-C4'-P energy: -91.108 tors. eta vs tors. theta energy: -57.074 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: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -697.177870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.177870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.177870 (E_RNA) where: Base-Base interactions energy: -305.882 where: short stacking energy: -181.872 Base-Backbone interact. energy: 4.461 local terms energy: -395.757214 where: bonds (distance) C4'-P energy: -100.618 bonds (distance) P-C4' energy: -125.542 flat angles C4'-P-C4' energy: -110.089 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: 10.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -599.832201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.832201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.832201 (E_RNA) where: Base-Base interactions energy: -218.527 where: short stacking energy: -201.366 Base-Backbone interact. energy: -1.168 local terms energy: -380.136337 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -116.843 flat angles C4'-P-C4' energy: -93.273 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: 2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2621.984998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.984998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.984998 (E_RNA) where: Base-Base interactions energy: -1803.466 where: short stacking energy: -772.090 Base-Backbone interact. energy: -2.329 local terms energy: -816.190199 where: bonds (distance) C4'-P energy: -137.643 bonds (distance) P-C4' energy: -139.367 flat angles C4'-P-C4' energy: -175.091 flat angles P-C4'-P energy: -127.924 tors. eta vs tors. theta energy: -236.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2469.948502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.948502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.948502 (E_RNA) where: Base-Base interactions energy: -1675.915 where: short stacking energy: -738.109 Base-Backbone interact. energy: -4.972 local terms energy: -789.061153 where: bonds (distance) C4'-P energy: -141.881 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -175.405 flat angles P-C4'-P energy: -105.619 tors. eta vs tors. theta energy: -219.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2449.891617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.891617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.891617 (E_RNA) where: Base-Base interactions energy: -1709.375 where: short stacking energy: -689.331 Base-Backbone interact. energy: -2.477 local terms energy: -738.040002 where: bonds (distance) C4'-P energy: -135.640 bonds (distance) P-C4' energy: -128.889 flat angles C4'-P-C4' energy: -167.008 flat angles P-C4'-P energy: -108.552 tors. eta vs tors. theta energy: -197.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2271.045401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.045401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.045401 (E_RNA) where: Base-Base interactions energy: -1551.252 where: short stacking energy: -635.260 Base-Backbone interact. energy: -3.369 local terms energy: -716.424233 where: bonds (distance) C4'-P energy: -125.761 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: -184.250 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: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2128.892573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.892573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.892573 (E_RNA) where: Base-Base interactions energy: -1390.273 where: short stacking energy: -595.966 Base-Backbone interact. energy: -0.015 local terms energy: -738.603927 where: bonds (distance) C4'-P energy: -130.424 bonds (distance) P-C4' energy: -145.249 flat angles C4'-P-C4' energy: -163.128 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -197.076 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1902.486421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.486421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.486421 (E_RNA) where: Base-Base interactions energy: -1246.383 where: short stacking energy: -558.697 Base-Backbone interact. energy: -0.476 local terms energy: -655.628166 where: bonds (distance) C4'-P energy: -116.997 bonds (distance) P-C4' energy: -118.578 flat angles C4'-P-C4' energy: -163.533 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -173.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1430.654056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.654056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.654056 (E_RNA) where: Base-Base interactions energy: -862.440 where: short stacking energy: -383.614 Base-Backbone interact. energy: -0.005 local terms energy: -568.209269 where: bonds (distance) C4'-P energy: -137.465 bonds (distance) P-C4' energy: -128.676 flat angles C4'-P-C4' energy: -129.653 flat angles P-C4'-P energy: -92.418 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: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1294.700655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.700655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.700655 (E_RNA) where: Base-Base interactions energy: -746.953 where: short stacking energy: -341.731 Base-Backbone interact. energy: 7.846 local terms energy: -555.593558 where: bonds (distance) C4'-P energy: -133.497 bonds (distance) P-C4' energy: -145.558 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -68.334 tors. eta vs tors. theta energy: -65.191 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -738.508968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.508968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.508968 (E_RNA) where: Base-Base interactions energy: -320.439 where: short stacking energy: -193.728 Base-Backbone interact. energy: -3.961 local terms energy: -414.109304 where: bonds (distance) C4'-P energy: -113.174 bonds (distance) P-C4' energy: -145.830 flat angles C4'-P-C4' energy: -104.784 flat angles P-C4'-P energy: -63.230 tors. eta vs tors. theta energy: 12.909 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: 240 Temperature: 1.350000 Total energy: -561.214242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.214242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.214242 (E_RNA) where: Base-Base interactions energy: -163.565 where: short stacking energy: -141.193 Base-Backbone interact. energy: -0.162 local terms energy: -397.487825 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -129.930 flat angles C4'-P-C4' energy: -113.538 flat angles P-C4'-P energy: -71.820 tors. eta vs tors. theta energy: 37.729 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: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2597.482026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.482026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.482026 (E_RNA) where: Base-Base interactions energy: -1777.293 where: short stacking energy: -768.348 Base-Backbone interact. energy: -3.052 local terms energy: -817.137482 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -175.636 flat angles P-C4'-P energy: -121.925 tors. eta vs tors. theta energy: -232.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2505.816229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.816229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.816229 (E_RNA) where: Base-Base interactions energy: -1707.673 where: short stacking energy: -689.027 Base-Backbone interact. energy: -0.932 local terms energy: -797.210750 where: bonds (distance) C4'-P energy: -147.485 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -170.574 flat angles P-C4'-P energy: -119.812 tors. eta vs tors. theta energy: -214.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2402.336153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.336153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.336153 (E_RNA) where: Base-Base interactions energy: -1644.853 where: short stacking energy: -700.464 Base-Backbone interact. energy: -0.923 local terms energy: -756.560524 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -157.444 flat angles C4'-P-C4' energy: -158.883 flat angles P-C4'-P energy: -90.696 tors. eta vs tors. theta energy: -201.929 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: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2256.310168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.310168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.310168 (E_RNA) where: Base-Base interactions energy: -1559.188 where: short stacking energy: -641.769 Base-Backbone interact. energy: 3.036 local terms energy: -700.157770 where: bonds (distance) C4'-P energy: -150.642 bonds (distance) P-C4' energy: -130.734 flat angles C4'-P-C4' energy: -140.358 flat angles P-C4'-P energy: -88.683 tors. eta vs tors. theta energy: -189.740 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: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2134.205427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.205427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.205427 (E_RNA) where: Base-Base interactions energy: -1470.790 where: short stacking energy: -609.595 Base-Backbone interact. energy: -0.253 local terms energy: -663.163233 where: bonds (distance) C4'-P energy: -96.378 bonds (distance) P-C4' energy: -133.109 flat angles C4'-P-C4' energy: -155.786 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -180.937 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: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1936.647309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.647309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.647309 (E_RNA) where: Base-Base interactions energy: -1292.423 where: short stacking energy: -547.554 Base-Backbone interact. energy: 4.018 local terms energy: -648.242284 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -149.354 flat angles C4'-P-C4' energy: -143.447 flat angles P-C4'-P energy: -99.804 tors. eta vs tors. theta energy: -148.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1452.015620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.015620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.015620 (E_RNA) where: Base-Base interactions energy: -901.661 where: short stacking energy: -414.075 Base-Backbone interact. energy: 0.703 local terms energy: -551.058106 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -113.615 flat angles C4'-P-C4' energy: -144.179 flat angles P-C4'-P energy: -90.317 tors. eta vs tors. theta energy: -88.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1223.309044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.309044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.309044 (E_RNA) where: Base-Base interactions energy: -709.182 where: short stacking energy: -311.461 Base-Backbone interact. energy: 3.356 local terms energy: -517.482974 where: bonds (distance) C4'-P energy: -114.660 bonds (distance) P-C4' energy: -142.685 flat angles C4'-P-C4' energy: -121.191 flat angles P-C4'-P energy: -80.021 tors. eta vs tors. theta energy: -58.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -704.266120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.266120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.266120 (E_RNA) where: Base-Base interactions energy: -275.711 where: short stacking energy: -190.450 Base-Backbone interact. energy: 2.569 local terms energy: -431.123654 where: bonds (distance) C4'-P energy: -129.668 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -103.081 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: 7.410 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: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -579.275947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.275947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.275947 (E_RNA) where: Base-Base interactions energy: -219.252 where: short stacking energy: -146.169 Base-Backbone interact. energy: -2.224 local terms energy: -357.799710 where: bonds (distance) C4'-P energy: -111.602 bonds (distance) P-C4' energy: -114.022 flat angles C4'-P-C4' energy: -83.560 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: 40.789 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: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2604.936619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.936619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.936619 (E_RNA) where: Base-Base interactions energy: -1766.634 where: short stacking energy: -749.854 Base-Backbone interact. energy: -0.843 local terms energy: -837.459413 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -156.939 flat angles C4'-P-C4' energy: -183.420 flat angles P-C4'-P energy: -120.612 tors. eta vs tors. theta energy: -222.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2523.303571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.303571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.303571 (E_RNA) where: Base-Base interactions energy: -1730.360 where: short stacking energy: -735.483 Base-Backbone interact. energy: -0.482 local terms energy: -792.461939 where: bonds (distance) C4'-P energy: -143.276 bonds (distance) P-C4' energy: -152.047 flat angles C4'-P-C4' energy: -172.201 flat angles P-C4'-P energy: -99.529 tors. eta vs tors. theta energy: -225.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2411.216660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.216660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.216660 (E_RNA) where: Base-Base interactions energy: -1661.174 where: short stacking energy: -711.560 Base-Backbone interact. energy: 0.753 local terms energy: -750.795788 where: bonds (distance) C4'-P energy: -142.169 bonds (distance) P-C4' energy: -136.551 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -205.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2270.287128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.287128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.287128 (E_RNA) where: Base-Base interactions energy: -1500.701 where: short stacking energy: -650.042 Base-Backbone interact. energy: -3.546 local terms energy: -766.039447 where: bonds (distance) C4'-P energy: -149.031 bonds (distance) P-C4' energy: -153.849 flat angles C4'-P-C4' energy: -158.546 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -199.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2089.219003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.219003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.219003 (E_RNA) where: Base-Base interactions energy: -1429.258 where: short stacking energy: -595.077 Base-Backbone interact. energy: 3.161 local terms energy: -663.122113 where: bonds (distance) C4'-P energy: -116.344 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -172.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1915.160685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.160685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.160685 (E_RNA) where: Base-Base interactions energy: -1265.839 where: short stacking energy: -544.034 Base-Backbone interact. energy: -2.577 local terms energy: -646.745238 where: bonds (distance) C4'-P energy: -110.741 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -165.510 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -142.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1409.448729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.448729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.448729 (E_RNA) where: Base-Base interactions energy: -849.478 where: short stacking energy: -416.442 Base-Backbone interact. energy: 3.664 local terms energy: -563.634992 where: bonds (distance) C4'-P energy: -129.735 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -127.593 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -87.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1200.888090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.888090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.888090 (E_RNA) where: Base-Base interactions energy: -722.313 where: short stacking energy: -357.821 Base-Backbone interact. energy: -1.116 local terms energy: -477.459017 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -130.170 flat angles P-C4'-P energy: -66.741 tors. eta vs tors. theta energy: -52.037 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -718.032387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.032387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.032387 (E_RNA) where: Base-Base interactions energy: -298.752 where: short stacking energy: -187.885 Base-Backbone interact. energy: 0.849 local terms energy: -420.129306 where: bonds (distance) C4'-P energy: -121.875 bonds (distance) P-C4' energy: -138.886 flat angles C4'-P-C4' energy: -104.037 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -630.852876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.852876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.852876 (E_RNA) where: Base-Base interactions energy: -250.608 where: short stacking energy: -152.489 Base-Backbone interact. energy: -5.361 local terms energy: -374.883629 where: bonds (distance) C4'-P energy: -112.725 bonds (distance) P-C4' energy: -124.312 flat angles C4'-P-C4' energy: -115.378 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: 34.544 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: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2563.260339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.260339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.260339 (E_RNA) where: Base-Base interactions energy: -1747.168 where: short stacking energy: -727.470 Base-Backbone interact. energy: -2.345 local terms energy: -813.747477 where: bonds (distance) C4'-P energy: -154.718 bonds (distance) P-C4' energy: -149.968 flat angles C4'-P-C4' energy: -165.802 flat angles P-C4'-P energy: -119.210 tors. eta vs tors. theta energy: -224.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2473.933083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.933083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.933083 (E_RNA) where: Base-Base interactions energy: -1660.417 where: short stacking energy: -714.697 Base-Backbone interact. energy: -2.159 local terms energy: -811.357938 where: bonds (distance) C4'-P energy: -157.101 bonds (distance) P-C4' energy: -158.029 flat angles C4'-P-C4' energy: -169.668 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -219.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2430.027464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.027464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.027464 (E_RNA) where: Base-Base interactions energy: -1672.206 where: short stacking energy: -690.299 Base-Backbone interact. energy: -3.688 local terms energy: -754.132880 where: bonds (distance) C4'-P energy: -135.058 bonds (distance) P-C4' energy: -147.978 flat angles C4'-P-C4' energy: -166.667 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -211.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2222.224763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.224763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.224763 (E_RNA) where: Base-Base interactions energy: -1523.890 where: short stacking energy: -636.249 Base-Backbone interact. energy: -1.927 local terms energy: -696.408447 where: bonds (distance) C4'-P energy: -129.177 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -142.775 flat angles P-C4'-P energy: -107.875 tors. eta vs tors. theta energy: -178.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2107.654657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.654657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.654657 (E_RNA) where: Base-Base interactions energy: -1413.824 where: short stacking energy: -607.618 Base-Backbone interact. energy: -1.117 local terms energy: -692.713912 where: bonds (distance) C4'-P energy: -133.938 bonds (distance) P-C4' energy: -144.429 flat angles C4'-P-C4' energy: -147.194 flat angles P-C4'-P energy: -77.575 tors. eta vs tors. theta energy: -189.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1963.842546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.842546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.842546 (E_RNA) where: Base-Base interactions energy: -1305.976 where: short stacking energy: -568.026 Base-Backbone interact. energy: -4.582 local terms energy: -653.284987 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -134.752 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -84.850 tors. eta vs tors. theta energy: -164.022 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1532.760995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.760995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.760995 (E_RNA) where: Base-Base interactions energy: -936.719 where: short stacking energy: -443.299 Base-Backbone interact. energy: 2.072 local terms energy: -598.114104 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -141.728 flat angles C4'-P-C4' energy: -131.024 flat angles P-C4'-P energy: -85.575 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1207.498539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.498539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.498539 (E_RNA) where: Base-Base interactions energy: -739.079 where: short stacking energy: -330.015 Base-Backbone interact. energy: -2.762 local terms energy: -465.657460 where: bonds (distance) C4'-P energy: -130.060 bonds (distance) P-C4' energy: -119.896 flat angles C4'-P-C4' energy: -114.806 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -39.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -661.125758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.125758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.125758 (E_RNA) where: Base-Base interactions energy: -287.219 where: short stacking energy: -198.133 Base-Backbone interact. energy: 4.092 local terms energy: -377.998895 where: bonds (distance) C4'-P energy: -134.603 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -106.918 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: 26.546 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: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -587.051864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.051864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.051864 (E_RNA) where: Base-Base interactions energy: -209.580 where: short stacking energy: -179.035 Base-Backbone interact. energy: -1.816 local terms energy: -375.656567 where: bonds (distance) C4'-P energy: -119.055 bonds (distance) P-C4' energy: -129.924 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -67.067 tors. eta vs tors. theta energy: 9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2593.140958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.140958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.140958 (E_RNA) where: Base-Base interactions energy: -1756.735 where: short stacking energy: -754.098 Base-Backbone interact. energy: -1.492 local terms energy: -834.914060 where: bonds (distance) C4'-P energy: -144.789 bonds (distance) P-C4' energy: -176.282 flat angles C4'-P-C4' energy: -169.152 flat angles P-C4'-P energy: -123.052 tors. eta vs tors. theta energy: -221.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2450.206859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.206859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.206859 (E_RNA) where: Base-Base interactions energy: -1647.201 where: short stacking energy: -735.718 Base-Backbone interact. energy: 0.129 local terms energy: -803.135562 where: bonds (distance) C4'-P energy: -143.492 bonds (distance) P-C4' energy: -159.405 flat angles C4'-P-C4' energy: -164.177 flat angles P-C4'-P energy: -119.385 tors. eta vs tors. theta energy: -216.678 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: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2401.985129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.985129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.985129 (E_RNA) where: Base-Base interactions energy: -1647.794 where: short stacking energy: -695.469 Base-Backbone interact. energy: 0.694 local terms energy: -754.885700 where: bonds (distance) C4'-P energy: -131.837 bonds (distance) P-C4' energy: -124.132 flat angles C4'-P-C4' energy: -169.134 flat angles P-C4'-P energy: -120.737 tors. eta vs tors. theta energy: -209.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2240.026105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.026105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.026105 (E_RNA) where: Base-Base interactions energy: -1532.092 where: short stacking energy: -628.025 Base-Backbone interact. energy: -3.617 local terms energy: -704.317164 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -140.247 flat angles C4'-P-C4' energy: -159.171 flat angles P-C4'-P energy: -91.792 tors. eta vs tors. theta energy: -177.089 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: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2183.925905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.925905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.925905 (E_RNA) where: Base-Base interactions energy: -1470.536 where: short stacking energy: -612.362 Base-Backbone interact. energy: 3.032 local terms energy: -716.422261 where: bonds (distance) C4'-P energy: -131.754 bonds (distance) P-C4' energy: -127.774 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -93.134 tors. eta vs tors. theta energy: -200.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1940.780193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.780193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.780193 (E_RNA) where: Base-Base interactions energy: -1255.684 where: short stacking energy: -550.412 Base-Backbone interact. energy: 3.370 local terms energy: -688.465721 where: bonds (distance) C4'-P energy: -127.065 bonds (distance) P-C4' energy: -164.307 flat angles C4'-P-C4' energy: -147.502 flat angles P-C4'-P energy: -97.051 tors. eta vs tors. theta energy: -152.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1493.995910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.995910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.995910 (E_RNA) where: Base-Base interactions energy: -936.836 where: short stacking energy: -414.884 Base-Backbone interact. energy: -0.489 local terms energy: -556.670528 where: bonds (distance) C4'-P energy: -121.648 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -126.115 flat angles P-C4'-P energy: -75.269 tors. eta vs tors. theta energy: -112.072 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: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1264.676193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.676193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.676193 (E_RNA) where: Base-Base interactions energy: -765.134 where: short stacking energy: -380.865 Base-Backbone interact. energy: -0.537 local terms energy: -499.004386 where: bonds (distance) C4'-P energy: -130.476 bonds (distance) P-C4' energy: -117.312 flat angles C4'-P-C4' energy: -123.835 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -59.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -681.330821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.330821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.330821 (E_RNA) where: Base-Base interactions energy: -295.517 where: short stacking energy: -194.626 Base-Backbone interact. energy: 2.450 local terms energy: -388.263577 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -113.227 flat angles C4'-P-C4' energy: -93.866 flat angles P-C4'-P energy: -66.281 tors. eta vs tors. theta energy: 18.325 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: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -574.559563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.559563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.559563 (E_RNA) where: Base-Base interactions energy: -199.682 where: short stacking energy: -142.448 Base-Backbone interact. energy: -1.608 local terms energy: -373.269999 where: bonds (distance) C4'-P energy: -125.365 bonds (distance) P-C4' energy: -118.489 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: 41.136 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: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2605.043310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.043310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.043310 (E_RNA) where: Base-Base interactions energy: -1770.092 where: short stacking energy: -748.495 Base-Backbone interact. energy: -1.347 local terms energy: -833.604585 where: bonds (distance) C4'-P energy: -152.053 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -178.183 flat angles P-C4'-P energy: -114.841 tors. eta vs tors. theta energy: -224.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2458.325323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.325323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.325323 (E_RNA) where: Base-Base interactions energy: -1640.095 where: short stacking energy: -702.643 Base-Backbone interact. energy: -2.058 local terms energy: -816.172642 where: bonds (distance) C4'-P energy: -162.755 bonds (distance) P-C4' energy: -152.111 flat angles C4'-P-C4' energy: -181.198 flat angles P-C4'-P energy: -112.451 tors. eta vs tors. theta energy: -207.657 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: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2437.184277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.184277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.184277 (E_RNA) where: Base-Base interactions energy: -1636.434 where: short stacking energy: -696.187 Base-Backbone interact. energy: -2.386 local terms energy: -798.363691 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -148.999 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -110.692 tors. eta vs tors. theta energy: -215.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2191.297421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.297421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.297421 (E_RNA) where: Base-Base interactions energy: -1419.001 where: short stacking energy: -609.249 Base-Backbone interact. energy: -5.188 local terms energy: -767.108736 where: bonds (distance) C4'-P energy: -148.965 bonds (distance) P-C4' energy: -141.557 flat angles C4'-P-C4' energy: -171.707 flat angles P-C4'-P energy: -116.141 tors. eta vs tors. theta energy: -188.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2170.656341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.656341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.656341 (E_RNA) where: Base-Base interactions energy: -1495.027 where: short stacking energy: -595.776 Base-Backbone interact. energy: -6.250 local terms energy: -669.379993 where: bonds (distance) C4'-P energy: -130.888 bonds (distance) P-C4' energy: -129.326 flat angles C4'-P-C4' energy: -157.360 flat angles P-C4'-P energy: -84.484 tors. eta vs tors. theta energy: -167.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1948.361565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.361565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.361565 (E_RNA) where: Base-Base interactions energy: -1270.635 where: short stacking energy: -574.964 Base-Backbone interact. energy: -2.534 local terms energy: -675.191693 where: bonds (distance) C4'-P energy: -131.455 bonds (distance) P-C4' energy: -130.314 flat angles C4'-P-C4' energy: -148.536 flat angles P-C4'-P energy: -99.094 tors. eta vs tors. theta energy: -165.792 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: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1496.912064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.912064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.912064 (E_RNA) where: Base-Base interactions energy: -933.182 where: short stacking energy: -428.621 Base-Backbone interact. energy: -4.686 local terms energy: -559.043442 where: bonds (distance) C4'-P energy: -120.923 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -137.682 flat angles P-C4'-P energy: -79.425 tors. eta vs tors. theta energy: -92.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1330.587234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.587234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.587234 (E_RNA) where: Base-Base interactions energy: -791.810 where: short stacking energy: -372.203 Base-Backbone interact. energy: 4.866 local terms energy: -543.642672 where: bonds (distance) C4'-P energy: -128.887 bonds (distance) P-C4' energy: -119.467 flat angles C4'-P-C4' energy: -125.848 flat angles P-C4'-P energy: -95.493 tors. eta vs tors. theta energy: -73.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -703.275355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.275355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.275355 (E_RNA) where: Base-Base interactions energy: -243.898 where: short stacking energy: -173.833 Base-Backbone interact. energy: -1.415 local terms energy: -457.962303 where: bonds (distance) C4'-P energy: -117.869 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -81.462 tors. eta vs tors. theta energy: 5.621 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: 245 Temperature: 1.350000 Total energy: -570.335676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.335676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.335676 (E_RNA) where: Base-Base interactions energy: -183.321 where: short stacking energy: -133.005 Base-Backbone interact. energy: -0.475 local terms energy: -386.539432 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -105.961 flat angles P-C4'-P energy: -56.958 tors. eta vs tors. theta energy: 36.886 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: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2617.569106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.569106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.569106 (E_RNA) where: Base-Base interactions energy: -1799.433 where: short stacking energy: -761.096 Base-Backbone interact. energy: -0.402 local terms energy: -817.734356 where: bonds (distance) C4'-P energy: -147.117 bonds (distance) P-C4' energy: -155.861 flat angles C4'-P-C4' energy: -173.080 flat angles P-C4'-P energy: -112.529 tors. eta vs tors. theta energy: -229.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2438.007184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.007184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.007184 (E_RNA) where: Base-Base interactions energy: -1661.353 where: short stacking energy: -727.261 Base-Backbone interact. energy: 0.272 local terms energy: -776.926253 where: bonds (distance) C4'-P energy: -150.184 bonds (distance) P-C4' energy: -145.882 flat angles C4'-P-C4' energy: -169.589 flat angles P-C4'-P energy: -109.385 tors. eta vs tors. theta energy: -201.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2402.397213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.397213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.397213 (E_RNA) where: Base-Base interactions energy: -1627.218 where: short stacking energy: -687.580 Base-Backbone interact. energy: -0.961 local terms energy: -774.218515 where: bonds (distance) C4'-P energy: -147.992 bonds (distance) P-C4' energy: -153.383 flat angles C4'-P-C4' energy: -175.125 flat angles P-C4'-P energy: -100.015 tors. eta vs tors. theta energy: -197.703 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: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2236.141532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.141532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.141532 (E_RNA) where: Base-Base interactions energy: -1537.669 where: short stacking energy: -641.082 Base-Backbone interact. energy: 0.053 local terms energy: -698.526243 where: bonds (distance) C4'-P energy: -132.664 bonds (distance) P-C4' energy: -130.266 flat angles C4'-P-C4' energy: -150.385 flat angles P-C4'-P energy: -95.144 tors. eta vs tors. theta energy: -190.066 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: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2209.372570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.372570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.372570 (E_RNA) where: Base-Base interactions energy: -1491.565 where: short stacking energy: -602.561 Base-Backbone interact. energy: -0.355 local terms energy: -717.452562 where: bonds (distance) C4'-P energy: -143.196 bonds (distance) P-C4' energy: -137.606 flat angles C4'-P-C4' energy: -153.673 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -179.096 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: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1983.306121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.306121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.306121 (E_RNA) where: Base-Base interactions energy: -1333.663 where: short stacking energy: -542.642 Base-Backbone interact. energy: -1.821 local terms energy: -647.822369 where: bonds (distance) C4'-P energy: -129.121 bonds (distance) P-C4' energy: -145.697 flat angles C4'-P-C4' energy: -148.069 flat angles P-C4'-P energy: -73.784 tors. eta vs tors. theta energy: -151.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1579.588831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.588831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.588831 (E_RNA) where: Base-Base interactions energy: -999.918 where: short stacking energy: -448.855 Base-Backbone interact. energy: -3.498 local terms energy: -576.173430 where: bonds (distance) C4'-P energy: -124.705 bonds (distance) P-C4' energy: -122.783 flat angles C4'-P-C4' energy: -135.445 flat angles P-C4'-P energy: -86.179 tors. eta vs tors. theta energy: -107.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1375.192703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.192703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.192703 (E_RNA) where: Base-Base interactions energy: -861.632 where: short stacking energy: -385.229 Base-Backbone interact. energy: -1.800 local terms energy: -511.760766 where: bonds (distance) C4'-P energy: -122.899 bonds (distance) P-C4' energy: -127.858 flat angles C4'-P-C4' energy: -123.073 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -71.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -686.770029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.770029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.770029 (E_RNA) where: Base-Base interactions energy: -283.316 where: short stacking energy: -171.117 Base-Backbone interact. energy: -0.123 local terms energy: -403.330605 where: bonds (distance) C4'-P energy: -133.364 bonds (distance) P-C4' energy: -119.212 flat angles C4'-P-C4' energy: -109.153 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: 16.666 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: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -582.264794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.264794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.264794 (E_RNA) where: Base-Base interactions energy: -197.967 where: short stacking energy: -140.051 Base-Backbone interact. energy: -1.666 local terms energy: -382.632073 where: bonds (distance) C4'-P energy: -125.948 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: 32.572 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: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2635.512013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.512013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.512013 (E_RNA) where: Base-Base interactions energy: -1792.976 where: short stacking energy: -753.596 Base-Backbone interact. energy: -4.143 local terms energy: -838.393159 where: bonds (distance) C4'-P energy: -161.372 bonds (distance) P-C4' energy: -155.361 flat angles C4'-P-C4' energy: -171.305 flat angles P-C4'-P energy: -114.177 tors. eta vs tors. theta energy: -236.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2442.230362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.230362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.230362 (E_RNA) where: Base-Base interactions energy: -1682.388 where: short stacking energy: -714.136 Base-Backbone interact. energy: 0.715 local terms energy: -760.557771 where: bonds (distance) C4'-P energy: -139.406 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -105.761 tors. eta vs tors. theta energy: -208.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2381.687354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.687354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.687354 (E_RNA) where: Base-Base interactions energy: -1621.199 where: short stacking energy: -671.491 Base-Backbone interact. energy: 8.840 local terms energy: -769.328942 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -141.463 flat angles C4'-P-C4' energy: -162.057 flat angles P-C4'-P energy: -114.447 tors. eta vs tors. theta energy: -209.742 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: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2209.867607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.867607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.867607 (E_RNA) where: Base-Base interactions energy: -1487.638 where: short stacking energy: -627.296 Base-Backbone interact. energy: 1.787 local terms energy: -724.017098 where: bonds (distance) C4'-P energy: -141.916 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -155.989 flat angles P-C4'-P energy: -80.965 tors. eta vs tors. theta energy: -190.182 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: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2144.773077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.773077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.773077 (E_RNA) where: Base-Base interactions energy: -1427.801 where: short stacking energy: -637.912 Base-Backbone interact. energy: 0.369 local terms energy: -717.341055 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -156.355 flat angles C4'-P-C4' energy: -149.542 flat angles P-C4'-P energy: -80.833 tors. eta vs tors. theta energy: -193.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1923.162145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.162145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.162145 (E_RNA) where: Base-Base interactions energy: -1281.550 where: short stacking energy: -515.272 Base-Backbone interact. energy: 0.398 local terms energy: -642.010278 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -151.515 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -129.974 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: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1598.171480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.171480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.171480 (E_RNA) where: Base-Base interactions energy: -1003.430 where: short stacking energy: -479.022 Base-Backbone interact. energy: -2.546 local terms energy: -592.195807 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -131.558 flat angles C4'-P-C4' energy: -144.115 flat angles P-C4'-P energy: -87.160 tors. eta vs tors. theta energy: -107.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1434.007780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.007780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.007780 (E_RNA) where: Base-Base interactions energy: -879.990 where: short stacking energy: -423.524 Base-Backbone interact. energy: -0.190 local terms energy: -553.827376 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -130.505 flat angles C4'-P-C4' energy: -130.537 flat angles P-C4'-P energy: -89.011 tors. eta vs tors. theta energy: -92.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -660.051696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.051696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.051696 (E_RNA) where: Base-Base interactions energy: -263.284 where: short stacking energy: -163.999 Base-Backbone interact. energy: 2.096 local terms energy: -398.863369 where: bonds (distance) C4'-P energy: -131.223 bonds (distance) P-C4' energy: -125.907 flat angles C4'-P-C4' energy: -86.023 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: 14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -546.962195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.962195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.962195 (E_RNA) where: Base-Base interactions energy: -182.935 where: short stacking energy: -144.339 Base-Backbone interact. energy: 5.559 local terms energy: -369.586813 where: bonds (distance) C4'-P energy: -112.698 bonds (distance) P-C4' energy: -115.798 flat angles C4'-P-C4' energy: -106.725 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: 21.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2594.563995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.563995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.563995 (E_RNA) where: Base-Base interactions energy: -1784.012 where: short stacking energy: -735.580 Base-Backbone interact. energy: -2.958 local terms energy: -807.594073 where: bonds (distance) C4'-P energy: -149.470 bonds (distance) P-C4' energy: -146.207 flat angles C4'-P-C4' energy: -164.481 flat angles P-C4'-P energy: -130.656 tors. eta vs tors. theta energy: -216.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2476.877058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.877058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.877058 (E_RNA) where: Base-Base interactions energy: -1687.328 where: short stacking energy: -712.833 Base-Backbone interact. energy: -1.505 local terms energy: -788.044308 where: bonds (distance) C4'-P energy: -144.297 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -177.119 flat angles P-C4'-P energy: -121.721 tors. eta vs tors. theta energy: -194.860 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: 3, replica: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2376.592527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.592527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.592527 (E_RNA) where: Base-Base interactions energy: -1606.551 where: short stacking energy: -688.166 Base-Backbone interact. energy: 0.073 local terms energy: -770.114919 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -163.549 flat angles P-C4'-P energy: -105.878 tors. eta vs tors. theta energy: -217.360 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: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2248.375167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.375167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.375167 (E_RNA) where: Base-Base interactions energy: -1521.742 where: short stacking energy: -644.142 Base-Backbone interact. energy: -2.329 local terms energy: -724.303623 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -162.721 flat angles P-C4'-P energy: -98.084 tors. eta vs tors. theta energy: -200.023 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: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2132.116887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.116887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.116887 (E_RNA) where: Base-Base interactions energy: -1437.264 where: short stacking energy: -626.011 Base-Backbone interact. energy: -1.321 local terms energy: -693.531419 where: bonds (distance) C4'-P energy: -133.280 bonds (distance) P-C4' energy: -127.092 flat angles C4'-P-C4' energy: -160.484 flat angles P-C4'-P energy: -91.427 tors. eta vs tors. theta energy: -181.250 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: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1979.266515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.266515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.266515 (E_RNA) where: Base-Base interactions energy: -1342.469 where: short stacking energy: -547.616 Base-Backbone interact. energy: -1.921 local terms energy: -634.876447 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -145.471 flat angles C4'-P-C4' energy: -141.474 flat angles P-C4'-P energy: -93.999 tors. eta vs tors. theta energy: -138.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1551.643390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.643390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.643390 (E_RNA) where: Base-Base interactions energy: -1002.361 where: short stacking energy: -435.173 Base-Backbone interact. energy: -3.934 local terms energy: -545.348627 where: bonds (distance) C4'-P energy: -129.007 bonds (distance) P-C4' energy: -115.178 flat angles C4'-P-C4' energy: -124.712 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -93.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1459.884834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.884834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.884834 (E_RNA) where: Base-Base interactions energy: -905.604 where: short stacking energy: -427.577 Base-Backbone interact. energy: -2.534 local terms energy: -551.747109 where: bonds (distance) C4'-P energy: -105.772 bonds (distance) P-C4' energy: -135.027 flat angles C4'-P-C4' energy: -129.495 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -93.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -713.055207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.055207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.055207 (E_RNA) where: Base-Base interactions energy: -315.702 where: short stacking energy: -210.076 Base-Backbone interact. energy: 8.974 local terms energy: -406.327466 where: bonds (distance) C4'-P energy: -103.956 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -122.859 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: 3.728 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -575.511459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.511459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.511459 (E_RNA) where: Base-Base interactions energy: -178.616 where: short stacking energy: -132.267 Base-Backbone interact. energy: 6.736 local terms energy: -403.631767 where: bonds (distance) C4'-P energy: -126.998 bonds (distance) P-C4' energy: -137.053 flat angles C4'-P-C4' energy: -107.070 flat angles P-C4'-P energy: -61.625 tors. eta vs tors. theta energy: 29.115 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: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2586.597641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.597641 (E_RNA) where: Base-Base interactions energy: -1764.012 where: short stacking energy: -770.732 Base-Backbone interact. energy: 1.031 local terms energy: -823.616715 where: bonds (distance) C4'-P energy: -152.692 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -171.688 flat angles P-C4'-P energy: -116.690 tors. eta vs tors. theta energy: -234.862 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: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2450.112665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.112665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.112665 (E_RNA) where: Base-Base interactions energy: -1654.913 where: short stacking energy: -702.883 Base-Backbone interact. energy: 0.650 local terms energy: -795.849460 where: bonds (distance) C4'-P energy: -148.502 bonds (distance) P-C4' energy: -150.371 flat angles C4'-P-C4' energy: -167.036 flat angles P-C4'-P energy: -113.365 tors. eta vs tors. theta energy: -216.575 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: 3, replica: 4 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2368.575750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.575750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.575750 (E_RNA) where: Base-Base interactions energy: -1604.281 where: short stacking energy: -681.258 Base-Backbone interact. energy: -2.090 local terms energy: -762.204863 where: bonds (distance) C4'-P energy: -146.842 bonds (distance) P-C4' energy: -154.267 flat angles C4'-P-C4' energy: -162.077 flat angles P-C4'-P energy: -94.756 tors. eta vs tors. theta energy: -204.263 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: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2220.905951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.905951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.905951 (E_RNA) where: Base-Base interactions energy: -1525.249 where: short stacking energy: -648.521 Base-Backbone interact. energy: 0.606 local terms energy: -696.262666 where: bonds (distance) C4'-P energy: -135.745 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -159.137 flat angles P-C4'-P energy: -87.175 tors. eta vs tors. theta energy: -187.252 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2097.638449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.638449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.638449 (E_RNA) where: Base-Base interactions energy: -1372.627 where: short stacking energy: -596.287 Base-Backbone interact. energy: -4.514 local terms energy: -720.497335 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -163.077 flat angles P-C4'-P energy: -104.732 tors. eta vs tors. theta energy: -193.825 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: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2001.075020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.075020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.075020 (E_RNA) where: Base-Base interactions energy: -1352.771 where: short stacking energy: -572.589 Base-Backbone interact. energy: 1.461 local terms energy: -649.764473 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -135.862 flat angles C4'-P-C4' energy: -142.804 flat angles P-C4'-P energy: -99.129 tors. eta vs tors. theta energy: -155.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1531.122968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.122968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.122968 (E_RNA) where: Base-Base interactions energy: -931.771 where: short stacking energy: -430.772 Base-Backbone interact. energy: 4.305 local terms energy: -603.656608 where: bonds (distance) C4'-P energy: -142.303 bonds (distance) P-C4' energy: -137.794 flat angles C4'-P-C4' energy: -137.402 flat angles P-C4'-P energy: -93.362 tors. eta vs tors. theta energy: -92.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1473.333088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.333088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.333088 (E_RNA) where: Base-Base interactions energy: -936.049 where: short stacking energy: -410.168 Base-Backbone interact. energy: 4.713 local terms energy: -541.997068 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -121.728 flat angles C4'-P-C4' energy: -136.630 flat angles P-C4'-P energy: -83.982 tors. eta vs tors. theta energy: -79.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -716.705650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.705650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.705650 (E_RNA) where: Base-Base interactions energy: -302.304 where: short stacking energy: -211.135 Base-Backbone interact. energy: -1.637 local terms energy: -412.765132 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -134.280 flat angles C4'-P-C4' energy: -99.475 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: 2.316 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: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -565.790601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.790601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.790601 (E_RNA) where: Base-Base interactions energy: -188.027 where: short stacking energy: -122.317 Base-Backbone interact. energy: -1.212 local terms energy: -376.551613 where: bonds (distance) C4'-P energy: -130.643 bonds (distance) P-C4' energy: -125.256 flat angles C4'-P-C4' energy: -107.955 flat angles P-C4'-P energy: -43.439 tors. eta vs tors. theta energy: 30.741 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: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2587.316278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.316278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.316278 (E_RNA) where: Base-Base interactions energy: -1757.535 where: short stacking energy: -718.648 Base-Backbone interact. energy: -2.628 local terms energy: -827.153654 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -155.750 flat angles C4'-P-C4' energy: -167.442 flat angles P-C4'-P energy: -124.576 tors. eta vs tors. theta energy: -225.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2448.641086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.641086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.641086 (E_RNA) where: Base-Base interactions energy: -1652.504 where: short stacking energy: -701.029 Base-Backbone interact. energy: -1.512 local terms energy: -794.624290 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -163.460 flat angles C4'-P-C4' energy: -168.834 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -212.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2408.459339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.459339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.459339 (E_RNA) where: Base-Base interactions energy: -1653.565 where: short stacking energy: -708.295 Base-Backbone interact. energy: -1.467 local terms energy: -753.426980 where: bonds (distance) C4'-P energy: -133.636 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -210.137 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: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2180.562112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.562112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.562112 (E_RNA) where: Base-Base interactions energy: -1500.687 where: short stacking energy: -638.681 Base-Backbone interact. energy: 1.772 local terms energy: -681.647066 where: bonds (distance) C4'-P energy: -131.420 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -151.640 flat angles P-C4'-P energy: -89.036 tors. eta vs tors. theta energy: -176.720 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: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2089.152336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.152336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.152336 (E_RNA) where: Base-Base interactions energy: -1401.328 where: short stacking energy: -599.145 Base-Backbone interact. energy: 0.240 local terms energy: -688.064844 where: bonds (distance) C4'-P energy: -132.703 bonds (distance) P-C4' energy: -140.692 flat angles C4'-P-C4' energy: -145.365 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -172.525 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1996.437297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.437297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.437297 (E_RNA) where: Base-Base interactions energy: -1334.227 where: short stacking energy: -541.051 Base-Backbone interact. energy: -0.062 local terms energy: -662.148216 where: bonds (distance) C4'-P energy: -130.714 bonds (distance) P-C4' energy: -147.366 flat angles C4'-P-C4' energy: -148.612 flat angles P-C4'-P energy: -89.516 tors. eta vs tors. theta energy: -145.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1542.887836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.887836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.887836 (E_RNA) where: Base-Base interactions energy: -964.072 where: short stacking energy: -445.707 Base-Backbone interact. energy: -2.227 local terms energy: -576.588933 where: bonds (distance) C4'-P energy: -119.602 bonds (distance) P-C4' energy: -138.797 flat angles C4'-P-C4' energy: -133.940 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -110.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1373.228786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.228786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.228786 (E_RNA) where: Base-Base interactions energy: -823.361 where: short stacking energy: -334.273 Base-Backbone interact. energy: -2.657 local terms energy: -547.210788 where: bonds (distance) C4'-P energy: -126.614 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -124.415 flat angles P-C4'-P energy: -87.872 tors. eta vs tors. theta energy: -76.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -666.515605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.515605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.515605 (E_RNA) where: Base-Base interactions energy: -284.656 where: short stacking energy: -170.449 Base-Backbone interact. energy: 0.125 local terms energy: -381.984918 where: bonds (distance) C4'-P energy: -106.898 bonds (distance) P-C4' energy: -130.571 flat angles C4'-P-C4' energy: -111.406 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: 21.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -542.853868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.853868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.853868 (E_RNA) where: Base-Base interactions energy: -180.175 where: short stacking energy: -149.486 Base-Backbone interact. energy: -0.807 local terms energy: -361.872101 where: bonds (distance) C4'-P energy: -114.843 bonds (distance) P-C4' energy: -124.649 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -56.514 tors. eta vs tors. theta energy: 52.999 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: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2610.103765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.103765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.103765 (E_RNA) where: Base-Base interactions energy: -1807.738 where: short stacking energy: -762.168 Base-Backbone interact. energy: -3.278 local terms energy: -799.087976 where: bonds (distance) C4'-P energy: -133.750 bonds (distance) P-C4' energy: -144.984 flat angles C4'-P-C4' energy: -183.385 flat angles P-C4'-P energy: -109.586 tors. eta vs tors. theta energy: -227.383 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: 251 Temperature: 0.950000 Total energy: -2450.196283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.196283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.196283 (E_RNA) where: Base-Base interactions energy: -1675.378 where: short stacking energy: -696.674 Base-Backbone interact. energy: 0.153 local terms energy: -774.971790 where: bonds (distance) C4'-P energy: -138.860 bonds (distance) P-C4' energy: -144.695 flat angles C4'-P-C4' energy: -163.863 flat angles P-C4'-P energy: -112.509 tors. eta vs tors. theta energy: -215.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2337.382974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.382974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.382974 (E_RNA) where: Base-Base interactions energy: -1575.173 where: short stacking energy: -689.660 Base-Backbone interact. energy: -2.096 local terms energy: -760.113485 where: bonds (distance) C4'-P energy: -140.301 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -167.781 flat angles P-C4'-P energy: -106.160 tors. eta vs tors. theta energy: -205.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2260.033410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.033410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.033410 (E_RNA) where: Base-Base interactions energy: -1540.283 where: short stacking energy: -637.578 Base-Backbone interact. energy: -3.283 local terms energy: -716.467441 where: bonds (distance) C4'-P energy: -128.856 bonds (distance) P-C4' energy: -145.474 flat angles C4'-P-C4' energy: -144.907 flat angles P-C4'-P energy: -110.112 tors. eta vs tors. theta energy: -187.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2108.785601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.785601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.785601 (E_RNA) where: Base-Base interactions energy: -1395.246 where: short stacking energy: -610.579 Base-Backbone interact. energy: -2.449 local terms energy: -711.090428 where: bonds (distance) C4'-P energy: -131.714 bonds (distance) P-C4' energy: -142.446 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -195.281 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: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1920.846311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.846311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.846311 (E_RNA) where: Base-Base interactions energy: -1272.448 where: short stacking energy: -531.367 Base-Backbone interact. energy: 4.546 local terms energy: -652.944056 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -148.793 flat angles C4'-P-C4' energy: -149.335 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -135.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1582.730634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.730634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.730634 (E_RNA) where: Base-Base interactions energy: -1014.048 where: short stacking energy: -411.350 Base-Backbone interact. energy: -0.914 local terms energy: -567.768566 where: bonds (distance) C4'-P energy: -123.993 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -118.023 flat angles P-C4'-P energy: -87.651 tors. eta vs tors. theta energy: -110.404 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1382.839599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.839599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.839599 (E_RNA) where: Base-Base interactions energy: -855.739 where: short stacking energy: -393.459 Base-Backbone interact. energy: -3.148 local terms energy: -523.952387 where: bonds (distance) C4'-P energy: -108.645 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -140.265 flat angles P-C4'-P energy: -66.341 tors. eta vs tors. theta energy: -82.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -667.494570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.494570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.494570 (E_RNA) where: Base-Base interactions energy: -287.467 where: short stacking energy: -203.435 Base-Backbone interact. energy: 12.135 local terms energy: -392.163228 where: bonds (distance) C4'-P energy: -112.800 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -90.777 flat angles P-C4'-P energy: -69.450 tors. eta vs tors. theta energy: 25.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -650.398396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.398396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.398396 (E_RNA) where: Base-Base interactions energy: -269.029 where: short stacking energy: -176.998 Base-Backbone interact. energy: 3.359 local terms energy: -384.728415 where: bonds (distance) C4'-P energy: -132.885 bonds (distance) P-C4' energy: -103.410 flat angles C4'-P-C4' energy: -124.170 flat angles P-C4'-P energy: -41.667 tors. eta vs tors. theta energy: 17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2611.590281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.590281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.590281 (E_RNA) where: Base-Base interactions energy: -1796.467 where: short stacking energy: -783.263 Base-Backbone interact. energy: 0.396 local terms energy: -815.519222 where: bonds (distance) C4'-P energy: -146.415 bonds (distance) P-C4' energy: -149.885 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -114.158 tors. eta vs tors. theta energy: -234.291 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: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2429.113373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.113373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.113373 (E_RNA) where: Base-Base interactions energy: -1664.488 where: short stacking energy: -718.583 Base-Backbone interact. energy: 2.416 local terms energy: -767.041542 where: bonds (distance) C4'-P energy: -139.077 bonds (distance) P-C4' energy: -146.167 flat angles C4'-P-C4' energy: -161.135 flat angles P-C4'-P energy: -108.795 tors. eta vs tors. theta energy: -211.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2376.137754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.137754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.137754 (E_RNA) where: Base-Base interactions energy: -1614.142 where: short stacking energy: -692.035 Base-Backbone interact. energy: -0.980 local terms energy: -761.016527 where: bonds (distance) C4'-P energy: -139.495 bonds (distance) P-C4' energy: -149.406 flat angles C4'-P-C4' energy: -169.068 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -197.080 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: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2217.255774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.255774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.255774 (E_RNA) where: Base-Base interactions energy: -1526.025 where: short stacking energy: -603.315 Base-Backbone interact. energy: 0.687 local terms energy: -691.917799 where: bonds (distance) C4'-P energy: -143.611 bonds (distance) P-C4' energy: -147.978 flat angles C4'-P-C4' energy: -152.008 flat angles P-C4'-P energy: -80.881 tors. eta vs tors. theta energy: -167.440 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: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2134.083261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.083261 (E_RNA) where: Base-Base interactions energy: -1444.232 where: short stacking energy: -637.813 Base-Backbone interact. energy: 0.084 local terms energy: -689.935697 where: bonds (distance) C4'-P energy: -128.876 bonds (distance) P-C4' energy: -139.102 flat angles C4'-P-C4' energy: -142.758 flat angles P-C4'-P energy: -99.199 tors. eta vs tors. theta energy: -180.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1926.931939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.931939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.931939 (E_RNA) where: Base-Base interactions energy: -1270.254 where: short stacking energy: -552.807 Base-Backbone interact. energy: -1.730 local terms energy: -654.948282 where: bonds (distance) C4'-P energy: -131.912 bonds (distance) P-C4' energy: -125.701 flat angles C4'-P-C4' energy: -158.223 flat angles P-C4'-P energy: -90.862 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1505.318403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.318403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.318403 (E_RNA) where: Base-Base interactions energy: -928.474 where: short stacking energy: -421.447 Base-Backbone interact. energy: -2.490 local terms energy: -574.354311 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -136.379 flat angles C4'-P-C4' energy: -127.891 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -94.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1366.174281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.174281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.174281 (E_RNA) where: Base-Base interactions energy: -889.224 where: short stacking energy: -408.900 Base-Backbone interact. energy: 1.579 local terms energy: -478.528871 where: bonds (distance) C4'-P energy: -98.413 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -116.804 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -72.240 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: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -674.370712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.370712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.370712 (E_RNA) where: Base-Base interactions energy: -272.548 where: short stacking energy: -170.570 Base-Backbone interact. energy: 0.952 local terms energy: -402.775176 where: bonds (distance) C4'-P energy: -105.832 bonds (distance) P-C4' energy: -127.300 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: 20.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -613.710137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.710137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.710137 (E_RNA) where: Base-Base interactions energy: -257.159 where: short stacking energy: -164.422 Base-Backbone interact. energy: 5.302 local terms energy: -361.853323 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -121.072 flat angles C4'-P-C4' energy: -98.857 flat angles P-C4'-P energy: -58.062 tors. eta vs tors. theta energy: 27.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2584.469977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.469977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.469977 (E_RNA) where: Base-Base interactions energy: -1749.999 where: short stacking energy: -755.882 Base-Backbone interact. energy: 1.372 local terms energy: -835.843411 where: bonds (distance) C4'-P energy: -150.612 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -173.722 flat angles P-C4'-P energy: -115.062 tors. eta vs tors. theta energy: -239.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2446.997260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.997260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.997260 (E_RNA) where: Base-Base interactions energy: -1660.335 where: short stacking energy: -727.967 Base-Backbone interact. energy: -3.117 local terms energy: -783.545701 where: bonds (distance) C4'-P energy: -135.597 bonds (distance) P-C4' energy: -149.922 flat angles C4'-P-C4' energy: -167.331 flat angles P-C4'-P energy: -116.010 tors. eta vs tors. theta energy: -214.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2371.110126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.110126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.110126 (E_RNA) where: Base-Base interactions energy: -1627.199 where: short stacking energy: -687.335 Base-Backbone interact. energy: -0.179 local terms energy: -743.731594 where: bonds (distance) C4'-P energy: -116.143 bonds (distance) P-C4' energy: -138.659 flat angles C4'-P-C4' energy: -165.745 flat angles P-C4'-P energy: -112.658 tors. eta vs tors. theta energy: -210.527 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: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2250.413492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.413492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.413492 (E_RNA) where: Base-Base interactions energy: -1547.137 where: short stacking energy: -626.792 Base-Backbone interact. energy: -1.200 local terms energy: -702.076530 where: bonds (distance) C4'-P energy: -141.520 bonds (distance) P-C4' energy: -134.659 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -97.858 tors. eta vs tors. theta energy: -170.923 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: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2140.857090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.857090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.857090 (E_RNA) where: Base-Base interactions energy: -1440.458 where: short stacking energy: -612.056 Base-Backbone interact. energy: -3.134 local terms energy: -697.265788 where: bonds (distance) C4'-P energy: -119.039 bonds (distance) P-C4' energy: -136.326 flat angles C4'-P-C4' energy: -155.672 flat angles P-C4'-P energy: -88.837 tors. eta vs tors. theta energy: -197.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1952.382835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.382835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.382835 (E_RNA) where: Base-Base interactions energy: -1303.092 where: short stacking energy: -542.519 Base-Backbone interact. energy: -0.919 local terms energy: -648.371611 where: bonds (distance) C4'-P energy: -124.744 bonds (distance) P-C4' energy: -132.436 flat angles C4'-P-C4' energy: -130.300 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -152.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1565.262822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.262822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.262822 (E_RNA) where: Base-Base interactions energy: -975.475 where: short stacking energy: -425.600 Base-Backbone interact. energy: -3.204 local terms energy: -586.583093 where: bonds (distance) C4'-P energy: -131.718 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -135.487 flat angles P-C4'-P energy: -80.737 tors. eta vs tors. theta energy: -91.569 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: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1384.244042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.244042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.244042 (E_RNA) where: Base-Base interactions energy: -838.331 where: short stacking energy: -379.114 Base-Backbone interact. energy: 4.154 local terms energy: -550.066369 where: bonds (distance) C4'-P energy: -122.644 bonds (distance) P-C4' energy: -130.936 flat angles C4'-P-C4' energy: -125.242 flat angles P-C4'-P energy: -86.294 tors. eta vs tors. theta energy: -84.950 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: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -701.149771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.149771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.149771 (E_RNA) where: Base-Base interactions energy: -314.211 where: short stacking energy: -180.239 Base-Backbone interact. energy: 0.661 local terms energy: -387.599302 where: bonds (distance) C4'-P energy: -102.646 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -109.712 flat angles P-C4'-P energy: -67.105 tors. eta vs tors. theta energy: 18.572 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: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -619.714656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.714656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.714656 (E_RNA) where: Base-Base interactions energy: -237.715 where: short stacking energy: -150.233 Base-Backbone interact. energy: 0.146 local terms energy: -382.145031 where: bonds (distance) C4'-P energy: -117.214 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -104.534 flat angles P-C4'-P energy: -57.545 tors. eta vs tors. theta energy: 34.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2608.596796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.596796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.596796 (E_RNA) where: Base-Base interactions energy: -1772.522 where: short stacking energy: -768.347 Base-Backbone interact. energy: 0.656 local terms energy: -836.730857 where: bonds (distance) C4'-P energy: -165.582 bonds (distance) P-C4' energy: -145.000 flat angles C4'-P-C4' energy: -174.554 flat angles P-C4'-P energy: -118.435 tors. eta vs tors. theta energy: -233.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2440.400941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.400941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.400941 (E_RNA) where: Base-Base interactions energy: -1640.771 where: short stacking energy: -710.582 Base-Backbone interact. energy: -1.922 local terms energy: -797.707834 where: bonds (distance) C4'-P energy: -146.658 bonds (distance) P-C4' energy: -166.436 flat angles C4'-P-C4' energy: -158.867 flat angles P-C4'-P energy: -113.224 tors. eta vs tors. theta energy: -212.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2388.381331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.381331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.381331 (E_RNA) where: Base-Base interactions energy: -1616.566 where: short stacking energy: -722.647 Base-Backbone interact. energy: -2.459 local terms energy: -769.356002 where: bonds (distance) C4'-P energy: -145.992 bonds (distance) P-C4' energy: -147.559 flat angles C4'-P-C4' energy: -166.825 flat angles P-C4'-P energy: -97.374 tors. eta vs tors. theta energy: -211.606 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: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2251.658629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.658629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.658629 (E_RNA) where: Base-Base interactions energy: -1559.147 where: short stacking energy: -619.459 Base-Backbone interact. energy: 0.395 local terms energy: -692.906353 where: bonds (distance) C4'-P energy: -120.309 bonds (distance) P-C4' energy: -141.660 flat angles C4'-P-C4' energy: -152.033 flat angles P-C4'-P energy: -94.734 tors. eta vs tors. theta energy: -184.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2145.642881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.642881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.642881 (E_RNA) where: Base-Base interactions energy: -1410.995 where: short stacking energy: -620.954 Base-Backbone interact. energy: -3.959 local terms energy: -730.689493 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -149.004 flat angles C4'-P-C4' energy: -153.893 flat angles P-C4'-P energy: -97.803 tors. eta vs tors. theta energy: -198.397 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: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1941.288000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.288000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.288000 (E_RNA) where: Base-Base interactions energy: -1303.208 where: short stacking energy: -552.771 Base-Backbone interact. energy: -0.110 local terms energy: -637.970002 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -122.924 flat angles C4'-P-C4' energy: -149.607 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -137.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1524.176452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.176452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.176452 (E_RNA) where: Base-Base interactions energy: -973.170 where: short stacking energy: -411.707 Base-Backbone interact. energy: -4.583 local terms energy: -546.424083 where: bonds (distance) C4'-P energy: -129.577 bonds (distance) P-C4' energy: -137.228 flat angles C4'-P-C4' energy: -122.652 flat angles P-C4'-P energy: -70.084 tors. eta vs tors. theta energy: -86.884 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: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1457.683070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.683070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.683070 (E_RNA) where: Base-Base interactions energy: -911.358 where: short stacking energy: -429.371 Base-Backbone interact. energy: -1.819 local terms energy: -544.506594 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -117.052 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -77.681 tors. eta vs tors. theta energy: -93.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -694.623634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.623634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.623634 (E_RNA) where: Base-Base interactions energy: -305.567 where: short stacking energy: -171.670 Base-Backbone interact. energy: -0.330 local terms energy: -388.726401 where: bonds (distance) C4'-P energy: -95.513 bonds (distance) P-C4' energy: -132.362 flat angles C4'-P-C4' energy: -104.654 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: 17.131 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: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -607.227929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.227929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.227929 (E_RNA) where: Base-Base interactions energy: -234.712 where: short stacking energy: -143.695 Base-Backbone interact. energy: -1.345 local terms energy: -371.170912 where: bonds (distance) C4'-P energy: -123.187 bonds (distance) P-C4' energy: -135.073 flat angles C4'-P-C4' energy: -95.216 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: 44.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2626.895644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.895644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.895644 (E_RNA) where: Base-Base interactions energy: -1772.871 where: short stacking energy: -734.601 Base-Backbone interact. energy: -2.012 local terms energy: -852.012213 where: bonds (distance) C4'-P energy: -153.055 bonds (distance) P-C4' energy: -171.195 flat angles C4'-P-C4' energy: -182.523 flat angles P-C4'-P energy: -106.185 tors. eta vs tors. theta energy: -239.054 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: 255 Temperature: 0.950000 Total energy: -2445.386274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.386274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.386274 (E_RNA) where: Base-Base interactions energy: -1651.439 where: short stacking energy: -722.533 Base-Backbone interact. energy: -1.523 local terms energy: -792.423967 where: bonds (distance) C4'-P energy: -149.476 bonds (distance) P-C4' energy: -155.517 flat angles C4'-P-C4' energy: -174.212 flat angles P-C4'-P energy: -102.116 tors. eta vs tors. theta energy: -211.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2388.969953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.969953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.969953 (E_RNA) where: Base-Base interactions energy: -1626.471 where: short stacking energy: -712.843 Base-Backbone interact. energy: 0.333 local terms energy: -762.831939 where: bonds (distance) C4'-P energy: -134.883 bonds (distance) P-C4' energy: -147.700 flat angles C4'-P-C4' energy: -164.317 flat angles P-C4'-P energy: -108.736 tors. eta vs tors. theta energy: -207.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2248.689069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.689069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.689069 (E_RNA) where: Base-Base interactions energy: -1507.685 where: short stacking energy: -654.417 Base-Backbone interact. energy: -0.650 local terms energy: -740.354376 where: bonds (distance) C4'-P energy: -135.457 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -163.163 flat angles P-C4'-P energy: -93.990 tors. eta vs tors. theta energy: -203.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2186.786064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.786064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.786064 (E_RNA) where: Base-Base interactions energy: -1502.963 where: short stacking energy: -612.658 Base-Backbone interact. energy: -3.576 local terms energy: -680.246471 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -132.653 flat angles C4'-P-C4' energy: -150.585 flat angles P-C4'-P energy: -83.910 tors. eta vs tors. theta energy: -180.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1907.785707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.785707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.785707 (E_RNA) where: Base-Base interactions energy: -1276.138 where: short stacking energy: -561.823 Base-Backbone interact. energy: -2.991 local terms energy: -628.657311 where: bonds (distance) C4'-P energy: -116.887 bonds (distance) P-C4' energy: -133.477 flat angles C4'-P-C4' energy: -141.957 flat angles P-C4'-P energy: -94.701 tors. eta vs tors. theta energy: -141.636 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: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1562.634927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.634927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.634927 (E_RNA) where: Base-Base interactions energy: -1015.659 where: short stacking energy: -460.001 Base-Backbone interact. energy: 0.272 local terms energy: -547.248627 where: bonds (distance) C4'-P energy: -112.917 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -138.320 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -108.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1370.840525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.840525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.840525 (E_RNA) where: Base-Base interactions energy: -846.893 where: short stacking energy: -397.641 Base-Backbone interact. energy: 2.367 local terms energy: -526.313884 where: bonds (distance) C4'-P energy: -90.194 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -127.160 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -83.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -699.727727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.727727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.727727 (E_RNA) where: Base-Base interactions energy: -312.641 where: short stacking energy: -197.368 Base-Backbone interact. energy: -0.966 local terms energy: -386.121369 where: bonds (distance) C4'-P energy: -118.830 bonds (distance) P-C4' energy: -121.404 flat angles C4'-P-C4' energy: -94.135 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: 11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -669.242366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.242366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.242366 (E_RNA) where: Base-Base interactions energy: -290.014 where: short stacking energy: -204.020 Base-Backbone interact. energy: 2.042 local terms energy: -381.270234 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -111.130 flat angles P-C4'-P energy: -38.458 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2612.518276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.518276 (E_RNA) where: Base-Base interactions energy: -1796.298 where: short stacking energy: -784.001 Base-Backbone interact. energy: -2.526 local terms energy: -813.693661 where: bonds (distance) C4'-P energy: -144.074 bonds (distance) P-C4' energy: -138.184 flat angles C4'-P-C4' energy: -173.774 flat angles P-C4'-P energy: -123.705 tors. eta vs tors. theta energy: -233.956 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: 256 Temperature: 0.950000 Total energy: -2439.633572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.633572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.633572 (E_RNA) where: Base-Base interactions energy: -1637.606 where: short stacking energy: -707.552 Base-Backbone interact. energy: -4.241 local terms energy: -797.786938 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -156.214 flat angles C4'-P-C4' energy: -167.058 flat angles P-C4'-P energy: -124.947 tors. eta vs tors. theta energy: -221.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2428.073242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.073242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.073242 (E_RNA) where: Base-Base interactions energy: -1644.854 where: short stacking energy: -706.985 Base-Backbone interact. energy: 0.428 local terms energy: -783.647206 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -162.545 flat angles P-C4'-P energy: -121.059 tors. eta vs tors. theta energy: -219.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2207.525336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.525336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.525336 (E_RNA) where: Base-Base interactions energy: -1476.626 where: short stacking energy: -635.570 Base-Backbone interact. energy: -1.564 local terms energy: -729.335085 where: bonds (distance) C4'-P energy: -142.566 bonds (distance) P-C4' energy: -137.392 flat angles C4'-P-C4' energy: -159.939 flat angles P-C4'-P energy: -96.767 tors. eta vs tors. theta energy: -192.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2199.301536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.301536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.301536 (E_RNA) where: Base-Base interactions energy: -1491.141 where: short stacking energy: -612.593 Base-Backbone interact. energy: 4.127 local terms energy: -712.287313 where: bonds (distance) C4'-P energy: -135.253 bonds (distance) P-C4' energy: -148.607 flat angles C4'-P-C4' energy: -159.220 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -175.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1963.176651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.176651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.176651 (E_RNA) where: Base-Base interactions energy: -1309.297 where: short stacking energy: -557.475 Base-Backbone interact. energy: -1.113 local terms energy: -652.766850 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -134.048 flat angles C4'-P-C4' energy: -143.382 flat angles P-C4'-P energy: -88.282 tors. eta vs tors. theta energy: -157.831 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: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1617.679972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.679972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.679972 (E_RNA) where: Base-Base interactions energy: -1022.736 where: short stacking energy: -465.530 Base-Backbone interact. energy: 3.673 local terms energy: -598.616930 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -124.011 flat angles C4'-P-C4' energy: -139.333 flat angles P-C4'-P energy: -93.942 tors. eta vs tors. theta energy: -122.338 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: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1352.867767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.867767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.867767 (E_RNA) where: Base-Base interactions energy: -825.957 where: short stacking energy: -395.563 Base-Backbone interact. energy: 0.811 local terms energy: -527.721882 where: bonds (distance) C4'-P energy: -98.088 bonds (distance) P-C4' energy: -119.237 flat angles C4'-P-C4' energy: -138.961 flat angles P-C4'-P energy: -77.934 tors. eta vs tors. theta energy: -93.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -781.232177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.232177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.232177 (E_RNA) where: Base-Base interactions energy: -364.547 where: short stacking energy: -203.623 Base-Backbone interact. energy: -2.378 local terms energy: -414.307274 where: bonds (distance) C4'-P energy: -109.059 bonds (distance) P-C4' energy: -130.953 flat angles C4'-P-C4' energy: -107.834 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: 2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -681.488789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.488789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.488789 (E_RNA) where: Base-Base interactions energy: -306.118 where: short stacking energy: -196.976 Base-Backbone interact. energy: -6.588 local terms energy: -368.782045 where: bonds (distance) C4'-P energy: -106.822 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: 15.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2601.879144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.879144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.879144 (E_RNA) where: Base-Base interactions energy: -1753.943 where: short stacking energy: -753.207 Base-Backbone interact. energy: -0.087 local terms energy: -847.849582 where: bonds (distance) C4'-P energy: -158.170 bonds (distance) P-C4' energy: -160.720 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -125.989 tors. eta vs tors. theta energy: -228.464 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: 257 Temperature: 0.950000 Total energy: -2448.135511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.135511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.135511 (E_RNA) where: Base-Base interactions energy: -1638.258 where: short stacking energy: -719.919 Base-Backbone interact. energy: -1.280 local terms energy: -808.597610 where: bonds (distance) C4'-P energy: -144.012 bonds (distance) P-C4' energy: -161.655 flat angles C4'-P-C4' energy: -172.543 flat angles P-C4'-P energy: -113.910 tors. eta vs tors. theta energy: -216.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2377.222729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.222729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.222729 (E_RNA) where: Base-Base interactions energy: -1650.766 where: short stacking energy: -694.146 Base-Backbone interact. energy: -1.507 local terms energy: -724.949948 where: bonds (distance) C4'-P energy: -128.019 bonds (distance) P-C4' energy: -134.926 flat angles C4'-P-C4' energy: -174.053 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -186.360 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2181.441662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.441662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.441662 (E_RNA) where: Base-Base interactions energy: -1457.120 where: short stacking energy: -622.500 Base-Backbone interact. energy: -4.351 local terms energy: -719.970934 where: bonds (distance) C4'-P energy: -139.439 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -189.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2133.808529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.808529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.808529 (E_RNA) where: Base-Base interactions energy: -1444.177 where: short stacking energy: -616.700 Base-Backbone interact. energy: 1.068 local terms energy: -690.699387 where: bonds (distance) C4'-P energy: -140.714 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -144.870 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -170.156 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: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1947.263392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.263392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.263392 (E_RNA) where: Base-Base interactions energy: -1329.279 where: short stacking energy: -562.027 Base-Backbone interact. energy: -2.264 local terms energy: -615.719691 where: bonds (distance) C4'-P energy: -132.852 bonds (distance) P-C4' energy: -107.591 flat angles C4'-P-C4' energy: -133.743 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -154.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1670.861886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.861886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.861886 (E_RNA) where: Base-Base interactions energy: -1115.916 where: short stacking energy: -469.287 Base-Backbone interact. energy: -0.682 local terms energy: -554.264391 where: bonds (distance) C4'-P energy: -113.055 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -134.659 flat angles P-C4'-P energy: -73.824 tors. eta vs tors. theta energy: -102.025 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: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1282.709168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.709168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.709168 (E_RNA) where: Base-Base interactions energy: -792.150 where: short stacking energy: -356.195 Base-Backbone interact. energy: 3.482 local terms energy: -494.040959 where: bonds (distance) C4'-P energy: -132.984 bonds (distance) P-C4' energy: -116.856 flat angles C4'-P-C4' energy: -126.299 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -61.157 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: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -769.195045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.195045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.195045 (E_RNA) where: Base-Base interactions energy: -333.977 where: short stacking energy: -190.128 Base-Backbone interact. energy: 4.562 local terms energy: -439.780197 where: bonds (distance) C4'-P energy: -135.016 bonds (distance) P-C4' energy: -124.188 flat angles C4'-P-C4' energy: -123.579 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: 12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -694.154452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.154452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.154452 (E_RNA) where: Base-Base interactions energy: -304.791 where: short stacking energy: -196.092 Base-Backbone interact. energy: -1.141 local terms energy: -388.222728 where: bonds (distance) C4'-P energy: -114.450 bonds (distance) P-C4' energy: -121.961 flat angles C4'-P-C4' energy: -97.114 flat angles P-C4'-P energy: -53.350 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2610.182735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.182735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.182735 (E_RNA) where: Base-Base interactions energy: -1794.634 where: short stacking energy: -747.134 Base-Backbone interact. energy: -1.952 local terms energy: -813.596516 where: bonds (distance) C4'-P energy: -144.517 bonds (distance) P-C4' energy: -156.476 flat angles C4'-P-C4' energy: -172.345 flat angles P-C4'-P energy: -102.903 tors. eta vs tors. theta energy: -237.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2468.887559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.887559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.887559 (E_RNA) where: Base-Base interactions energy: -1669.405 where: short stacking energy: -715.177 Base-Backbone interact. energy: -1.729 local terms energy: -797.753266 where: bonds (distance) C4'-P energy: -147.291 bonds (distance) P-C4' energy: -147.956 flat angles C4'-P-C4' energy: -162.865 flat angles P-C4'-P energy: -120.178 tors. eta vs tors. theta energy: -219.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2334.051276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.051276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.051276 (E_RNA) where: Base-Base interactions energy: -1564.149 where: short stacking energy: -663.996 Base-Backbone interact. energy: -4.196 local terms energy: -765.706379 where: bonds (distance) C4'-P energy: -141.338 bonds (distance) P-C4' energy: -144.100 flat angles C4'-P-C4' energy: -172.078 flat angles P-C4'-P energy: -100.567 tors. eta vs tors. theta energy: -207.624 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: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2228.275932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.275932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.275932 (E_RNA) where: Base-Base interactions energy: -1499.281 where: short stacking energy: -631.722 Base-Backbone interact. energy: -3.654 local terms energy: -725.340262 where: bonds (distance) C4'-P energy: -131.644 bonds (distance) P-C4' energy: -158.146 flat angles C4'-P-C4' energy: -157.598 flat angles P-C4'-P energy: -80.589 tors. eta vs tors. theta energy: -197.363 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: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1972.890727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.890727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.890727 (E_RNA) where: Base-Base interactions energy: -1303.129 where: short stacking energy: -553.895 Base-Backbone interact. energy: -0.776 local terms energy: -668.986162 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -140.456 flat angles P-C4'-P energy: -95.134 tors. eta vs tors. theta energy: -145.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2057.693195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.693195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.693195 (E_RNA) where: Base-Base interactions energy: -1412.709 where: short stacking energy: -569.943 Base-Backbone interact. energy: -3.735 local terms energy: -641.249415 where: bonds (distance) C4'-P energy: -112.251 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -141.167 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -168.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1738.764774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.764774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.764774 (E_RNA) where: Base-Base interactions energy: -1156.911 where: short stacking energy: -477.587 Base-Backbone interact. energy: 6.696 local terms energy: -588.550033 where: bonds (distance) C4'-P energy: -127.693 bonds (distance) P-C4' energy: -128.961 flat angles C4'-P-C4' energy: -138.153 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -116.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1334.381726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.381726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.381726 (E_RNA) where: Base-Base interactions energy: -808.954 where: short stacking energy: -393.415 Base-Backbone interact. energy: 3.340 local terms energy: -528.767757 where: bonds (distance) C4'-P energy: -100.561 bonds (distance) P-C4' energy: -145.413 flat angles C4'-P-C4' energy: -121.173 flat angles P-C4'-P energy: -85.560 tors. eta vs tors. theta energy: -76.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -664.433866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.433866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.433866 (E_RNA) where: Base-Base interactions energy: -257.962 where: short stacking energy: -169.336 Base-Backbone interact. energy: -3.708 local terms energy: -402.764178 where: bonds (distance) C4'-P energy: -123.616 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -58.429 tors. eta vs tors. theta energy: 31.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -633.789211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.789211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.789211 (E_RNA) where: Base-Base interactions energy: -274.200 where: short stacking energy: -190.654 Base-Backbone interact. energy: -1.414 local terms energy: -358.175806 where: bonds (distance) C4'-P energy: -108.414 bonds (distance) P-C4' energy: -118.994 flat angles C4'-P-C4' energy: -111.664 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: 28.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2626.251837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.251837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.251837 (E_RNA) where: Base-Base interactions energy: -1795.152 where: short stacking energy: -759.646 Base-Backbone interact. energy: -0.318 local terms energy: -830.782125 where: bonds (distance) C4'-P energy: -142.867 bonds (distance) P-C4' energy: -160.583 flat angles C4'-P-C4' energy: -172.394 flat angles P-C4'-P energy: -121.065 tors. eta vs tors. theta energy: -233.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2474.029826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.029826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.029826 (E_RNA) where: Base-Base interactions energy: -1685.105 where: short stacking energy: -723.845 Base-Backbone interact. energy: -2.989 local terms energy: -785.935608 where: bonds (distance) C4'-P energy: -159.767 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -162.593 flat angles P-C4'-P energy: -106.007 tors. eta vs tors. theta energy: -213.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2341.589811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.589811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.589811 (E_RNA) where: Base-Base interactions energy: -1616.678 where: short stacking energy: -698.027 Base-Backbone interact. energy: 3.441 local terms energy: -728.352804 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -131.377 flat angles C4'-P-C4' energy: -151.093 flat angles P-C4'-P energy: -102.960 tors. eta vs tors. theta energy: -199.930 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: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2225.070091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.070091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.070091 (E_RNA) where: Base-Base interactions energy: -1472.936 where: short stacking energy: -647.920 Base-Backbone interact. energy: -2.695 local terms energy: -749.439214 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -137.515 flat angles C4'-P-C4' energy: -160.836 flat angles P-C4'-P energy: -103.643 tors. eta vs tors. theta energy: -198.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1968.662411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.662411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.662411 (E_RNA) where: Base-Base interactions energy: -1321.232 where: short stacking energy: -564.854 Base-Backbone interact. energy: -2.783 local terms energy: -644.647087 where: bonds (distance) C4'-P energy: -117.089 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -133.518 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -155.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2000.815886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.815886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.815886 (E_RNA) where: Base-Base interactions energy: -1356.481 where: short stacking energy: -544.383 Base-Backbone interact. energy: -5.359 local terms energy: -638.976404 where: bonds (distance) C4'-P energy: -122.635 bonds (distance) P-C4' energy: -133.058 flat angles C4'-P-C4' energy: -155.924 flat angles P-C4'-P energy: -79.523 tors. eta vs tors. theta energy: -147.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1665.713041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.713041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.713041 (E_RNA) where: Base-Base interactions energy: -1088.788 where: short stacking energy: -467.221 Base-Backbone interact. energy: -0.522 local terms energy: -576.402488 where: bonds (distance) C4'-P energy: -118.795 bonds (distance) P-C4' energy: -130.812 flat angles C4'-P-C4' energy: -121.320 flat angles P-C4'-P energy: -98.009 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: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1418.091315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.091315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.091315 (E_RNA) where: Base-Base interactions energy: -865.670 where: short stacking energy: -377.297 Base-Backbone interact. energy: 1.899 local terms energy: -554.320230 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -132.942 flat angles C4'-P-C4' energy: -131.167 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -96.151 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: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -674.598889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.598889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.598889 (E_RNA) where: Base-Base interactions energy: -242.516 where: short stacking energy: -148.643 Base-Backbone interact. energy: -0.190 local terms energy: -431.892908 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -128.492 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: 31.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -637.716498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.716498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.716498 (E_RNA) where: Base-Base interactions energy: -273.606 where: short stacking energy: -169.485 Base-Backbone interact. energy: -1.204 local terms energy: -362.906526 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -129.250 flat angles C4'-P-C4' energy: -97.464 flat angles P-C4'-P energy: -42.363 tors. eta vs tors. theta energy: 29.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2632.932926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.932926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.932926 (E_RNA) where: Base-Base interactions energy: -1833.168 where: short stacking energy: -763.170 Base-Backbone interact. energy: -0.167 local terms energy: -799.597855 where: bonds (distance) C4'-P energy: -134.452 bonds (distance) P-C4' energy: -134.425 flat angles C4'-P-C4' energy: -179.596 flat angles P-C4'-P energy: -118.203 tors. eta vs tors. theta energy: -232.922 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: 260 Temperature: 0.950000 Total energy: -2500.598784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.598784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.598784 (E_RNA) where: Base-Base interactions energy: -1716.394 where: short stacking energy: -701.924 Base-Backbone interact. energy: -4.738 local terms energy: -779.467202 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -135.887 flat angles C4'-P-C4' energy: -166.055 flat angles P-C4'-P energy: -126.354 tors. eta vs tors. theta energy: -212.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2406.661915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.661915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.661915 (E_RNA) where: Base-Base interactions energy: -1629.688 where: short stacking energy: -668.331 Base-Backbone interact. energy: -2.959 local terms energy: -774.014581 where: bonds (distance) C4'-P energy: -149.296 bonds (distance) P-C4' energy: -119.236 flat angles C4'-P-C4' energy: -179.996 flat angles P-C4'-P energy: -107.656 tors. eta vs tors. theta energy: -217.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2291.177384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.177384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.177384 (E_RNA) where: Base-Base interactions energy: -1551.340 where: short stacking energy: -654.333 Base-Backbone interact. energy: 0.434 local terms energy: -740.271406 where: bonds (distance) C4'-P energy: -136.934 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -118.604 tors. eta vs tors. theta energy: -204.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2055.476763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.476763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.476763 (E_RNA) where: Base-Base interactions energy: -1391.350 where: short stacking energy: -587.109 Base-Backbone interact. energy: -1.642 local terms energy: -662.484545 where: bonds (distance) C4'-P energy: -149.655 bonds (distance) P-C4' energy: -131.013 flat angles C4'-P-C4' energy: -144.199 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -153.812 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1886.043118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.043118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.043118 (E_RNA) where: Base-Base interactions energy: -1221.779 where: short stacking energy: -541.592 Base-Backbone interact. energy: 1.461 local terms energy: -665.725431 where: bonds (distance) C4'-P energy: -130.029 bonds (distance) P-C4' energy: -131.551 flat angles C4'-P-C4' energy: -158.005 flat angles P-C4'-P energy: -89.640 tors. eta vs tors. theta energy: -156.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1656.094252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.094252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.094252 (E_RNA) where: Base-Base interactions energy: -1036.327 where: short stacking energy: -453.918 Base-Backbone interact. energy: 2.183 local terms energy: -621.950167 where: bonds (distance) C4'-P energy: -132.087 bonds (distance) P-C4' energy: -127.938 flat angles C4'-P-C4' energy: -163.855 flat angles P-C4'-P energy: -84.462 tors. eta vs tors. theta energy: -113.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1307.936288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.936288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.936288 (E_RNA) where: Base-Base interactions energy: -839.193 where: short stacking energy: -385.469 Base-Backbone interact. energy: -1.970 local terms energy: -466.772687 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -130.118 flat angles C4'-P-C4' energy: -96.494 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -69.963 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: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -658.132321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.132321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.132321 (E_RNA) where: Base-Base interactions energy: -287.367 where: short stacking energy: -159.685 Base-Backbone interact. energy: -1.865 local terms energy: -368.900405 where: bonds (distance) C4'-P energy: -122.192 bonds (distance) P-C4' energy: -103.741 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -58.273 tors. eta vs tors. theta energy: 18.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -607.550797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.550797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.550797 (E_RNA) where: Base-Base interactions energy: -250.752 where: short stacking energy: -171.428 Base-Backbone interact. energy: -3.684 local terms energy: -353.115129 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -99.872 flat angles P-C4'-P energy: -42.647 tors. eta vs tors. theta energy: 33.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2617.100331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.100331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.100331 (E_RNA) where: Base-Base interactions energy: -1786.021 where: short stacking energy: -739.875 Base-Backbone interact. energy: -1.931 local terms energy: -829.147984 where: bonds (distance) C4'-P energy: -159.292 bonds (distance) P-C4' energy: -151.650 flat angles C4'-P-C4' energy: -179.526 flat angles P-C4'-P energy: -112.371 tors. eta vs tors. theta energy: -226.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2504.761125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.761125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.761125 (E_RNA) where: Base-Base interactions energy: -1721.929 where: short stacking energy: -735.247 Base-Backbone interact. energy: -3.138 local terms energy: -779.693680 where: bonds (distance) C4'-P energy: -132.302 bonds (distance) P-C4' energy: -145.718 flat angles C4'-P-C4' energy: -169.200 flat angles P-C4'-P energy: -109.110 tors. eta vs tors. theta energy: -223.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2406.391690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.391690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.391690 (E_RNA) where: Base-Base interactions energy: -1633.465 where: short stacking energy: -680.815 Base-Backbone interact. energy: -2.732 local terms energy: -770.194035 where: bonds (distance) C4'-P energy: -150.785 bonds (distance) P-C4' energy: -135.749 flat angles C4'-P-C4' energy: -163.371 flat angles P-C4'-P energy: -114.038 tors. eta vs tors. theta energy: -206.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2227.931635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.931635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.931635 (E_RNA) where: Base-Base interactions energy: -1521.235 where: short stacking energy: -673.791 Base-Backbone interact. energy: -0.482 local terms energy: -706.214709 where: bonds (distance) C4'-P energy: -124.376 bonds (distance) P-C4' energy: -127.745 flat angles C4'-P-C4' energy: -157.055 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -197.832 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: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2097.065166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.065166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.065166 (E_RNA) where: Base-Base interactions energy: -1408.443 where: short stacking energy: -604.321 Base-Backbone interact. energy: -0.783 local terms energy: -687.838306 where: bonds (distance) C4'-P energy: -140.716 bonds (distance) P-C4' energy: -140.121 flat angles C4'-P-C4' energy: -161.709 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -159.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1922.338510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.338510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.338510 (E_RNA) where: Base-Base interactions energy: -1267.847 where: short stacking energy: -558.142 Base-Backbone interact. energy: -0.259 local terms energy: -654.232482 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -138.333 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -97.941 tors. eta vs tors. theta energy: -160.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1634.261868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.261868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.261868 (E_RNA) where: Base-Base interactions energy: -1052.855 where: short stacking energy: -484.544 Base-Backbone interact. energy: 3.497 local terms energy: -584.904189 where: bonds (distance) C4'-P energy: -115.328 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -138.246 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -103.637 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: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1341.392660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.392660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.392660 (E_RNA) where: Base-Base interactions energy: -798.112 where: short stacking energy: -384.405 Base-Backbone interact. energy: -4.350 local terms energy: -538.930243 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -103.725 flat angles C4'-P-C4' energy: -129.951 flat angles P-C4'-P energy: -80.464 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: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -680.894072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.894072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.894072 (E_RNA) where: Base-Base interactions energy: -277.733 where: short stacking energy: -177.779 Base-Backbone interact. energy: -0.278 local terms energy: -402.883348 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -59.129 tors. eta vs tors. theta energy: 26.251 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: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -638.408833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.408833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.408833 (E_RNA) where: Base-Base interactions energy: -285.958 where: short stacking energy: -174.329 Base-Backbone interact. energy: -2.562 local terms energy: -349.888909 where: bonds (distance) C4'-P energy: -123.490 bonds (distance) P-C4' energy: -113.462 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -58.339 tors. eta vs tors. theta energy: 43.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2586.745422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.745422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.745422 (E_RNA) where: Base-Base interactions energy: -1769.880 where: short stacking energy: -762.699 Base-Backbone interact. energy: -3.169 local terms energy: -813.696761 where: bonds (distance) C4'-P energy: -148.502 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -170.248 flat angles P-C4'-P energy: -111.654 tors. eta vs tors. theta energy: -233.635 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: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2499.567408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.567408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.567408 (E_RNA) where: Base-Base interactions energy: -1706.371 where: short stacking energy: -735.410 Base-Backbone interact. energy: -2.374 local terms energy: -790.821511 where: bonds (distance) C4'-P energy: -144.011 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -177.586 flat angles P-C4'-P energy: -114.058 tors. eta vs tors. theta energy: -210.422 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: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2433.626205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.626205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.626205 (E_RNA) where: Base-Base interactions energy: -1648.939 where: short stacking energy: -697.914 Base-Backbone interact. energy: -2.781 local terms energy: -781.906461 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -126.489 flat angles C4'-P-C4' energy: -169.324 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -219.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2220.717511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.717511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.717511 (E_RNA) where: Base-Base interactions energy: -1471.260 where: short stacking energy: -656.989 Base-Backbone interact. energy: 0.056 local terms energy: -749.514340 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -142.391 flat angles C4'-P-C4' energy: -147.997 flat angles P-C4'-P energy: -113.161 tors. eta vs tors. theta energy: -213.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2082.668842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.668842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.668842 (E_RNA) where: Base-Base interactions energy: -1425.593 where: short stacking energy: -605.159 Base-Backbone interact. energy: -3.855 local terms energy: -653.221036 where: bonds (distance) C4'-P energy: -126.684 bonds (distance) P-C4' energy: -126.148 flat angles C4'-P-C4' energy: -143.652 flat angles P-C4'-P energy: -88.853 tors. eta vs tors. theta energy: -167.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1972.509558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.509558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.509558 (E_RNA) where: Base-Base interactions energy: -1343.162 where: short stacking energy: -563.193 Base-Backbone interact. energy: 3.992 local terms energy: -633.340050 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -124.120 flat angles C4'-P-C4' energy: -147.911 flat angles P-C4'-P energy: -88.993 tors. eta vs tors. theta energy: -147.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1565.070536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.070536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.070536 (E_RNA) where: Base-Base interactions energy: -1007.042 where: short stacking energy: -420.600 Base-Backbone interact. energy: -1.034 local terms energy: -556.994546 where: bonds (distance) C4'-P energy: -122.597 bonds (distance) P-C4' energy: -124.207 flat angles C4'-P-C4' energy: -140.945 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -99.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1375.650168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.650168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.650168 (E_RNA) where: Base-Base interactions energy: -850.772 where: short stacking energy: -375.284 Base-Backbone interact. energy: 3.200 local terms energy: -528.078926 where: bonds (distance) C4'-P energy: -131.762 bonds (distance) P-C4' energy: -123.349 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: -87.551 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: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -685.633849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.633849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.633849 (E_RNA) where: Base-Base interactions energy: -301.654 where: short stacking energy: -203.430 Base-Backbone interact. energy: -2.828 local terms energy: -381.151238 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -118.621 flat angles C4'-P-C4' energy: -104.519 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: 16.327 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -627.005128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.005128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.005128 (E_RNA) where: Base-Base interactions energy: -251.030 where: short stacking energy: -171.028 Base-Backbone interact. energy: 1.979 local terms energy: -377.953814 where: bonds (distance) C4'-P energy: -110.466 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -116.044 flat angles P-C4'-P energy: -36.180 tors. eta vs tors. theta energy: 18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2598.786974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.786974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.786974 (E_RNA) where: Base-Base interactions energy: -1772.613 where: short stacking energy: -744.770 Base-Backbone interact. energy: 1.808 local terms energy: -827.981429 where: bonds (distance) C4'-P energy: -140.873 bonds (distance) P-C4' energy: -157.426 flat angles C4'-P-C4' energy: -168.941 flat angles P-C4'-P energy: -128.327 tors. eta vs tors. theta energy: -232.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2501.017705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.017705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.017705 (E_RNA) where: Base-Base interactions energy: -1706.157 where: short stacking energy: -722.490 Base-Backbone interact. energy: 0.762 local terms energy: -795.622540 where: bonds (distance) C4'-P energy: -142.011 bonds (distance) P-C4' energy: -157.109 flat angles C4'-P-C4' energy: -178.646 flat angles P-C4'-P energy: -100.180 tors. eta vs tors. theta energy: -217.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2378.057803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.057803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.057803 (E_RNA) where: Base-Base interactions energy: -1627.289 where: short stacking energy: -682.222 Base-Backbone interact. energy: -1.507 local terms energy: -749.262172 where: bonds (distance) C4'-P energy: -120.775 bonds (distance) P-C4' energy: -144.699 flat angles C4'-P-C4' energy: -159.284 flat angles P-C4'-P energy: -115.525 tors. eta vs tors. theta energy: -208.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2250.841033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.841033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.841033 (E_RNA) where: Base-Base interactions energy: -1500.940 where: short stacking energy: -654.981 Base-Backbone interact. energy: 0.127 local terms energy: -750.028223 where: bonds (distance) C4'-P energy: -132.675 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -121.099 tors. eta vs tors. theta energy: -202.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2087.903430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.903430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.903430 (E_RNA) where: Base-Base interactions energy: -1400.208 where: short stacking energy: -586.537 Base-Backbone interact. energy: -3.085 local terms energy: -684.609775 where: bonds (distance) C4'-P energy: -135.867 bonds (distance) P-C4' energy: -134.907 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -90.660 tors. eta vs tors. theta energy: -172.501 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: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1954.539825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.539825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.539825 (E_RNA) where: Base-Base interactions energy: -1310.972 where: short stacking energy: -555.436 Base-Backbone interact. energy: -2.464 local terms energy: -641.103533 where: bonds (distance) C4'-P energy: -116.018 bonds (distance) P-C4' energy: -140.268 flat angles C4'-P-C4' energy: -144.447 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -158.911 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: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1563.991521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.991521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.991521 (E_RNA) where: Base-Base interactions energy: -1007.388 where: short stacking energy: -446.176 Base-Backbone interact. energy: 2.104 local terms energy: -558.706985 where: bonds (distance) C4'-P energy: -129.349 bonds (distance) P-C4' energy: -132.223 flat angles C4'-P-C4' energy: -124.155 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -104.038 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: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1315.511436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.511436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.511436 (E_RNA) where: Base-Base interactions energy: -806.092 where: short stacking energy: -393.951 Base-Backbone interact. energy: -0.305 local terms energy: -509.114615 where: bonds (distance) C4'-P energy: -136.288 bonds (distance) P-C4' energy: -125.168 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -72.219 tors. eta vs tors. theta energy: -61.420 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: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -669.457547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.457547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.457547 (E_RNA) where: Base-Base interactions energy: -270.537 where: short stacking energy: -173.569 Base-Backbone interact. energy: 2.470 local terms energy: -401.391189 where: bonds (distance) C4'-P energy: -130.270 bonds (distance) P-C4' energy: -145.885 flat angles C4'-P-C4' energy: -99.277 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: 22.077 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: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -612.744723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.744723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.744723 (E_RNA) where: Base-Base interactions energy: -260.781 where: short stacking energy: -169.260 Base-Backbone interact. energy: 0.026 local terms energy: -351.989945 where: bonds (distance) C4'-P energy: -106.622 bonds (distance) P-C4' energy: -126.557 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: 25.379 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: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2592.051552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.051552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.051552 (E_RNA) where: Base-Base interactions energy: -1764.708 where: short stacking energy: -739.167 Base-Backbone interact. energy: -0.365 local terms energy: -826.978839 where: bonds (distance) C4'-P energy: -168.485 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -166.456 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -231.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2497.975441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.975441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.975441 (E_RNA) where: Base-Base interactions energy: -1704.978 where: short stacking energy: -746.428 Base-Backbone interact. energy: -1.902 local terms energy: -791.095375 where: bonds (distance) C4'-P energy: -136.824 bonds (distance) P-C4' energy: -135.483 flat angles C4'-P-C4' energy: -175.437 flat angles P-C4'-P energy: -116.723 tors. eta vs tors. theta energy: -226.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2386.052158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.052158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.052158 (E_RNA) where: Base-Base interactions energy: -1597.604 where: short stacking energy: -687.551 Base-Backbone interact. energy: 2.026 local terms energy: -790.474789 where: bonds (distance) C4'-P energy: -136.787 bonds (distance) P-C4' energy: -165.242 flat angles C4'-P-C4' energy: -164.643 flat angles P-C4'-P energy: -116.843 tors. eta vs tors. theta energy: -206.960 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2220.359920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.359920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.359920 (E_RNA) where: Base-Base interactions energy: -1478.280 where: short stacking energy: -623.476 Base-Backbone interact. energy: -4.189 local terms energy: -737.891065 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -143.969 flat angles P-C4'-P energy: -98.585 tors. eta vs tors. theta energy: -207.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2127.831720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.831720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.831720 (E_RNA) where: Base-Base interactions energy: -1451.213 where: short stacking energy: -600.001 Base-Backbone interact. energy: -0.615 local terms energy: -676.003724 where: bonds (distance) C4'-P energy: -134.711 bonds (distance) P-C4' energy: -144.619 flat angles C4'-P-C4' energy: -139.418 flat angles P-C4'-P energy: -84.865 tors. eta vs tors. theta energy: -172.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1871.150127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.150127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.150127 (E_RNA) where: Base-Base interactions energy: -1238.066 where: short stacking energy: -529.540 Base-Backbone interact. energy: 0.703 local terms energy: -633.787472 where: bonds (distance) C4'-P energy: -132.761 bonds (distance) P-C4' energy: -130.034 flat angles C4'-P-C4' energy: -138.775 flat angles P-C4'-P energy: -101.296 tors. eta vs tors. theta energy: -130.921 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1580.454950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.454950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.454950 (E_RNA) where: Base-Base interactions energy: -999.855 where: short stacking energy: -445.197 Base-Backbone interact. energy: -2.359 local terms energy: -578.241395 where: bonds (distance) C4'-P energy: -124.896 bonds (distance) P-C4' energy: -137.227 flat angles C4'-P-C4' energy: -132.488 flat angles P-C4'-P energy: -87.629 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: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1333.488251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.488251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.488251 (E_RNA) where: Base-Base interactions energy: -787.069 where: short stacking energy: -400.020 Base-Backbone interact. energy: -0.528 local terms energy: -545.891064 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -136.802 flat angles C4'-P-C4' energy: -131.446 flat angles P-C4'-P energy: -71.894 tors. eta vs tors. theta energy: -84.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -679.871796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.871796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.871796 (E_RNA) where: Base-Base interactions energy: -279.038 where: short stacking energy: -187.496 Base-Backbone interact. energy: 1.323 local terms energy: -402.156902 where: bonds (distance) C4'-P energy: -129.799 bonds (distance) P-C4' energy: -137.789 flat angles C4'-P-C4' energy: -85.709 flat angles P-C4'-P energy: -80.230 tors. eta vs tors. theta energy: 31.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -612.240747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.240747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.240747 (E_RNA) where: Base-Base interactions energy: -251.738 where: short stacking energy: -184.750 Base-Backbone interact. energy: -0.759 local terms energy: -359.744196 where: bonds (distance) C4'-P energy: -109.426 bonds (distance) P-C4' energy: -121.075 flat angles C4'-P-C4' energy: -98.314 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: 28.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2576.989696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.989696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.989696 (E_RNA) where: Base-Base interactions energy: -1762.926 where: short stacking energy: -768.891 Base-Backbone interact. energy: -2.573 local terms energy: -811.490277 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -182.520 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -245.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2498.402750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.402750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.402750 (E_RNA) where: Base-Base interactions energy: -1683.851 where: short stacking energy: -725.786 Base-Backbone interact. energy: -6.816 local terms energy: -807.735480 where: bonds (distance) C4'-P energy: -154.447 bonds (distance) P-C4' energy: -150.949 flat angles C4'-P-C4' energy: -178.675 flat angles P-C4'-P energy: -105.811 tors. eta vs tors. theta energy: -217.853 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: 265 Temperature: 1.000000 Total energy: -2454.266065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.266065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.266065 (E_RNA) where: Base-Base interactions energy: -1664.843 where: short stacking energy: -714.421 Base-Backbone interact. energy: -1.093 local terms energy: -788.329716 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -151.261 flat angles C4'-P-C4' energy: -175.975 flat angles P-C4'-P energy: -88.010 tors. eta vs tors. theta energy: -225.328 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: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2243.911995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.911995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.911995 (E_RNA) where: Base-Base interactions energy: -1483.274 where: short stacking energy: -643.248 Base-Backbone interact. energy: -0.318 local terms energy: -760.319564 where: bonds (distance) C4'-P energy: -132.581 bonds (distance) P-C4' energy: -140.084 flat angles C4'-P-C4' energy: -173.976 flat angles P-C4'-P energy: -107.874 tors. eta vs tors. theta energy: -205.804 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: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2141.563202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.563202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.563202 (E_RNA) where: Base-Base interactions energy: -1446.089 where: short stacking energy: -596.562 Base-Backbone interact. energy: -2.017 local terms energy: -693.457849 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -152.657 flat angles P-C4'-P energy: -107.263 tors. eta vs tors. theta energy: -164.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1896.896958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.896958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.896958 (E_RNA) where: Base-Base interactions energy: -1261.077 where: short stacking energy: -540.433 Base-Backbone interact. energy: -3.293 local terms energy: -632.526677 where: bonds (distance) C4'-P energy: -120.487 bonds (distance) P-C4' energy: -147.256 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -78.471 tors. eta vs tors. theta energy: -149.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1549.975362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.975362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.975362 (E_RNA) where: Base-Base interactions energy: -994.236 where: short stacking energy: -421.711 Base-Backbone interact. energy: 3.876 local terms energy: -559.616186 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -136.028 flat angles C4'-P-C4' energy: -124.516 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -95.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1265.585215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.585215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.585215 (E_RNA) where: Base-Base interactions energy: -740.748 where: short stacking energy: -337.112 Base-Backbone interact. energy: -3.138 local terms energy: -521.699497 where: bonds (distance) C4'-P energy: -118.547 bonds (distance) P-C4' energy: -129.570 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -82.384 tors. eta vs tors. theta energy: -70.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -698.040969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.040969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.040969 (E_RNA) where: Base-Base interactions energy: -288.638 where: short stacking energy: -171.938 Base-Backbone interact. energy: 1.396 local terms energy: -410.798974 where: bonds (distance) C4'-P energy: -118.442 bonds (distance) P-C4' energy: -134.185 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -74.562 tors. eta vs tors. theta energy: 20.648 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: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -583.243352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.243352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.243352 (E_RNA) where: Base-Base interactions energy: -235.459 where: short stacking energy: -181.771 Base-Backbone interact. energy: -1.192 local terms energy: -346.592271 where: bonds (distance) C4'-P energy: -112.494 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -92.735 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: 15.135 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: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2592.150034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.150034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.150034 (E_RNA) where: Base-Base interactions energy: -1764.353 where: short stacking energy: -746.886 Base-Backbone interact. energy: -0.716 local terms energy: -827.080525 where: bonds (distance) C4'-P energy: -145.185 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -175.493 flat angles P-C4'-P energy: -114.118 tors. eta vs tors. theta energy: -235.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2493.204297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.204297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.204297 (E_RNA) where: Base-Base interactions energy: -1688.253 where: short stacking energy: -719.213 Base-Backbone interact. energy: -2.258 local terms energy: -802.693378 where: bonds (distance) C4'-P energy: -150.861 bonds (distance) P-C4' energy: -151.833 flat angles C4'-P-C4' energy: -168.437 flat angles P-C4'-P energy: -103.559 tors. eta vs tors. theta energy: -228.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2419.144899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.144899 (E_RNA) where: Base-Base interactions energy: -1637.962 where: short stacking energy: -686.626 Base-Backbone interact. energy: 0.701 local terms energy: -781.884649 where: bonds (distance) C4'-P energy: -158.696 bonds (distance) P-C4' energy: -156.004 flat angles C4'-P-C4' energy: -167.061 flat angles P-C4'-P energy: -95.996 tors. eta vs tors. theta energy: -204.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2252.132752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.132752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.132752 (E_RNA) where: Base-Base interactions energy: -1496.042 where: short stacking energy: -663.422 Base-Backbone interact. energy: -1.715 local terms energy: -754.375691 where: bonds (distance) C4'-P energy: -129.820 bonds (distance) P-C4' energy: -132.398 flat angles C4'-P-C4' energy: -169.442 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -214.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2110.669040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.669040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.669040 (E_RNA) where: Base-Base interactions energy: -1423.865 where: short stacking energy: -601.055 Base-Backbone interact. energy: 2.025 local terms energy: -688.829164 where: bonds (distance) C4'-P energy: -145.015 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -150.684 flat angles P-C4'-P energy: -86.887 tors. eta vs tors. theta energy: -167.990 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: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1879.376991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.376991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.376991 (E_RNA) where: Base-Base interactions energy: -1226.890 where: short stacking energy: -546.194 Base-Backbone interact. energy: -1.815 local terms energy: -650.671789 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -138.916 flat angles C4'-P-C4' energy: -155.388 flat angles P-C4'-P energy: -89.120 tors. eta vs tors. theta energy: -140.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1582.261285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.261285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.261285 (E_RNA) where: Base-Base interactions energy: -998.095 where: short stacking energy: -414.573 Base-Backbone interact. energy: -0.725 local terms energy: -583.441698 where: bonds (distance) C4'-P energy: -119.166 bonds (distance) P-C4' energy: -133.796 flat angles C4'-P-C4' energy: -135.305 flat angles P-C4'-P energy: -84.717 tors. eta vs tors. theta energy: -110.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1299.729956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.729956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.729956 (E_RNA) where: Base-Base interactions energy: -786.829 where: short stacking energy: -368.490 Base-Backbone interact. energy: 1.297 local terms energy: -514.198553 where: bonds (distance) C4'-P energy: -115.477 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -79.627 tors. eta vs tors. theta energy: -61.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -698.021678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.021678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.021678 (E_RNA) where: Base-Base interactions energy: -269.045 where: short stacking energy: -173.012 Base-Backbone interact. energy: 4.825 local terms energy: -433.801703 where: bonds (distance) C4'-P energy: -130.630 bonds (distance) P-C4' energy: -136.826 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -73.648 tors. eta vs tors. theta energy: 17.032 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: 266 Temperature: 1.350000 Total energy: -560.944006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.944006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.944006 (E_RNA) where: Base-Base interactions energy: -181.280 where: short stacking energy: -146.450 Base-Backbone interact. energy: 3.691 local terms energy: -383.355426 where: bonds (distance) C4'-P energy: -126.209 bonds (distance) P-C4' energy: -140.719 flat angles C4'-P-C4' energy: -103.671 flat angles P-C4'-P energy: -56.964 tors. eta vs tors. theta energy: 44.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2572.516797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.516797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.516797 (E_RNA) where: Base-Base interactions energy: -1765.359 where: short stacking energy: -761.246 Base-Backbone interact. energy: 0.799 local terms energy: -807.956843 where: bonds (distance) C4'-P energy: -152.577 bonds (distance) P-C4' energy: -163.697 flat angles C4'-P-C4' energy: -168.971 flat angles P-C4'-P energy: -106.207 tors. eta vs tors. theta energy: -216.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2513.268215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.268215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.268215 (E_RNA) where: Base-Base interactions energy: -1708.254 where: short stacking energy: -727.759 Base-Backbone interact. energy: -4.983 local terms energy: -800.030752 where: bonds (distance) C4'-P energy: -135.935 bonds (distance) P-C4' energy: -148.859 flat angles C4'-P-C4' energy: -168.717 flat angles P-C4'-P energy: -111.863 tors. eta vs tors. theta energy: -234.656 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2410.368014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.368014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.368014 (E_RNA) where: Base-Base interactions energy: -1646.583 where: short stacking energy: -704.813 Base-Backbone interact. energy: -2.023 local terms energy: -761.761535 where: bonds (distance) C4'-P energy: -132.384 bonds (distance) P-C4' energy: -138.200 flat angles C4'-P-C4' energy: -176.539 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -203.429 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: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2221.732756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.732756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.732756 (E_RNA) where: Base-Base interactions energy: -1479.659 where: short stacking energy: -653.010 Base-Backbone interact. energy: 0.109 local terms energy: -742.182119 where: bonds (distance) C4'-P energy: -132.684 bonds (distance) P-C4' energy: -132.031 flat angles C4'-P-C4' energy: -139.955 flat angles P-C4'-P energy: -120.788 tors. eta vs tors. theta energy: -216.724 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2141.268357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.268357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.268357 (E_RNA) where: Base-Base interactions energy: -1473.480 where: short stacking energy: -609.965 Base-Backbone interact. energy: -1.176 local terms energy: -666.612591 where: bonds (distance) C4'-P energy: -111.059 bonds (distance) P-C4' energy: -134.729 flat angles C4'-P-C4' energy: -162.464 flat angles P-C4'-P energy: -86.550 tors. eta vs tors. theta energy: -171.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1871.811559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.811559 (E_RNA) where: Base-Base interactions energy: -1225.490 where: short stacking energy: -550.388 Base-Backbone interact. energy: -0.510 local terms energy: -645.811903 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -151.954 flat angles C4'-P-C4' energy: -144.798 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -151.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1589.621105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.621105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.621105 (E_RNA) where: Base-Base interactions energy: -1030.061 where: short stacking energy: -466.844 Base-Backbone interact. energy: -4.361 local terms energy: -555.199159 where: bonds (distance) C4'-P energy: -124.833 bonds (distance) P-C4' energy: -134.276 flat angles C4'-P-C4' energy: -119.203 flat angles P-C4'-P energy: -79.431 tors. eta vs tors. theta energy: -97.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1316.789274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.789274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.789274 (E_RNA) where: Base-Base interactions energy: -791.585 where: short stacking energy: -370.218 Base-Backbone interact. energy: -0.486 local terms energy: -524.718501 where: bonds (distance) C4'-P energy: -132.731 bonds (distance) P-C4' energy: -125.378 flat angles C4'-P-C4' energy: -131.039 flat angles P-C4'-P energy: -70.094 tors. eta vs tors. theta energy: -65.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -667.344957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.344957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.344957 (E_RNA) where: Base-Base interactions energy: -270.780 where: short stacking energy: -168.600 Base-Backbone interact. energy: 1.591 local terms energy: -398.155587 where: bonds (distance) C4'-P energy: -111.766 bonds (distance) P-C4' energy: -143.041 flat angles C4'-P-C4' energy: -113.199 flat angles P-C4'-P energy: -66.276 tors. eta vs tors. theta energy: 36.126 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: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -576.796996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.796996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.796996 (E_RNA) where: Base-Base interactions energy: -195.443 where: short stacking energy: -115.851 Base-Backbone interact. energy: -1.790 local terms energy: -379.563599 where: bonds (distance) C4'-P energy: -123.342 bonds (distance) P-C4' energy: -125.268 flat angles C4'-P-C4' energy: -105.102 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: 38.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2591.842116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.842116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.842116 (E_RNA) where: Base-Base interactions energy: -1786.083 where: short stacking energy: -705.669 Base-Backbone interact. energy: -0.509 local terms energy: -805.249655 where: bonds (distance) C4'-P energy: -146.861 bonds (distance) P-C4' energy: -152.160 flat angles C4'-P-C4' energy: -173.317 flat angles P-C4'-P energy: -109.886 tors. eta vs tors. theta energy: -223.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2494.937690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.937690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.937690 (E_RNA) where: Base-Base interactions energy: -1700.523 where: short stacking energy: -752.509 Base-Backbone interact. energy: -1.514 local terms energy: -792.900616 where: bonds (distance) C4'-P energy: -143.837 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -172.014 flat angles P-C4'-P energy: -102.409 tors. eta vs tors. theta energy: -226.944 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: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2400.703296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.703296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.703296 (E_RNA) where: Base-Base interactions energy: -1642.658 where: short stacking energy: -685.589 Base-Backbone interact. energy: -3.923 local terms energy: -754.121599 where: bonds (distance) C4'-P energy: -139.743 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -152.145 flat angles P-C4'-P energy: -112.278 tors. eta vs tors. theta energy: -213.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2270.968568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.968568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.968568 (E_RNA) where: Base-Base interactions energy: -1502.478 where: short stacking energy: -678.977 Base-Backbone interact. energy: -3.998 local terms energy: -764.492390 where: bonds (distance) C4'-P energy: -129.678 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -206.456 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: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2106.811694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.811694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.811694 (E_RNA) where: Base-Base interactions energy: -1435.215 where: short stacking energy: -600.680 Base-Backbone interact. energy: 2.495 local terms energy: -674.091185 where: bonds (distance) C4'-P energy: -134.299 bonds (distance) P-C4' energy: -139.933 flat angles C4'-P-C4' energy: -149.209 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: -172.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1871.756403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.756403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.756403 (E_RNA) where: Base-Base interactions energy: -1227.765 where: short stacking energy: -525.439 Base-Backbone interact. energy: 2.587 local terms energy: -646.578693 where: bonds (distance) C4'-P energy: -129.068 bonds (distance) P-C4' energy: -131.915 flat angles C4'-P-C4' energy: -138.240 flat angles P-C4'-P energy: -89.802 tors. eta vs tors. theta energy: -157.554 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: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1586.100242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.100242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.100242 (E_RNA) where: Base-Base interactions energy: -1064.612 where: short stacking energy: -465.227 Base-Backbone interact. energy: -1.538 local terms energy: -519.950363 where: bonds (distance) C4'-P energy: -116.166 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -117.619 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -89.921 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: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1257.610056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.610056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.610056 (E_RNA) where: Base-Base interactions energy: -734.109 where: short stacking energy: -368.152 Base-Backbone interact. energy: -1.735 local terms energy: -521.765755 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -122.474 flat angles P-C4'-P energy: -79.046 tors. eta vs tors. theta energy: -70.901 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -698.912966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.912966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.912966 (E_RNA) where: Base-Base interactions energy: -271.337 where: short stacking energy: -180.856 Base-Backbone interact. energy: -1.362 local terms energy: -426.214395 where: bonds (distance) C4'-P energy: -113.036 bonds (distance) P-C4' energy: -126.312 flat angles C4'-P-C4' energy: -110.641 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: 5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -645.591128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.591128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.591128 (E_RNA) where: Base-Base interactions energy: -260.458 where: short stacking energy: -170.483 Base-Backbone interact. energy: 2.213 local terms energy: -387.345555 where: bonds (distance) C4'-P energy: -135.131 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -112.243 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: 25.366 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: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2597.585131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.585131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.585131 (E_RNA) where: Base-Base interactions energy: -1775.027 where: short stacking energy: -757.625 Base-Backbone interact. energy: -1.086 local terms energy: -821.472498 where: bonds (distance) C4'-P energy: -157.491 bonds (distance) P-C4' energy: -152.546 flat angles C4'-P-C4' energy: -180.669 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -224.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2533.044451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.044451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.044451 (E_RNA) where: Base-Base interactions energy: -1722.656 where: short stacking energy: -769.987 Base-Backbone interact. energy: -0.162 local terms energy: -810.226803 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -148.594 flat angles C4'-P-C4' energy: -171.382 flat angles P-C4'-P energy: -112.165 tors. eta vs tors. theta energy: -242.871 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: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2386.828728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.828728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.828728 (E_RNA) where: Base-Base interactions energy: -1631.570 where: short stacking energy: -671.667 Base-Backbone interact. energy: -2.214 local terms energy: -753.044751 where: bonds (distance) C4'-P energy: -137.212 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -162.299 flat angles P-C4'-P energy: -104.937 tors. eta vs tors. theta energy: -203.498 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: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2215.330042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.330042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.330042 (E_RNA) where: Base-Base interactions energy: -1461.972 where: short stacking energy: -629.501 Base-Backbone interact. energy: -4.160 local terms energy: -749.198118 where: bonds (distance) C4'-P energy: -159.857 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -154.663 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -198.069 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2117.077119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.077119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.077119 (E_RNA) where: Base-Base interactions energy: -1412.192 where: short stacking energy: -598.417 Base-Backbone interact. energy: -4.920 local terms energy: -699.964894 where: bonds (distance) C4'-P energy: -133.825 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -156.252 flat angles P-C4'-P energy: -103.007 tors. eta vs tors. theta energy: -178.499 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: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1925.575668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.575668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.575668 (E_RNA) where: Base-Base interactions energy: -1286.169 where: short stacking energy: -568.308 Base-Backbone interact. energy: -1.307 local terms energy: -638.099432 where: bonds (distance) C4'-P energy: -133.190 bonds (distance) P-C4' energy: -142.262 flat angles C4'-P-C4' energy: -129.069 flat angles P-C4'-P energy: -85.982 tors. eta vs tors. theta energy: -147.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1600.877816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.877816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.877816 (E_RNA) where: Base-Base interactions energy: -1023.768 where: short stacking energy: -459.065 Base-Backbone interact. energy: 0.306 local terms energy: -577.415956 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -103.986 tors. eta vs tors. theta energy: -109.361 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: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1278.410912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.410912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.410912 (E_RNA) where: Base-Base interactions energy: -774.189 where: short stacking energy: -362.537 Base-Backbone interact. energy: 13.295 local terms energy: -517.516416 where: bonds (distance) C4'-P energy: -144.580 bonds (distance) P-C4' energy: -120.553 flat angles C4'-P-C4' energy: -104.547 flat angles P-C4'-P energy: -82.277 tors. eta vs tors. theta energy: -65.560 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: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -598.768281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.768281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.768281 (E_RNA) where: Base-Base interactions energy: -203.043 where: short stacking energy: -170.285 Base-Backbone interact. energy: 2.403 local terms energy: -398.127671 where: bonds (distance) C4'-P energy: -128.918 bonds (distance) P-C4' energy: -117.878 flat angles C4'-P-C4' energy: -122.405 flat angles P-C4'-P energy: -49.383 tors. eta vs tors. theta energy: 20.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -628.343169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.343169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.343169 (E_RNA) where: Base-Base interactions energy: -264.169 where: short stacking energy: -185.575 Base-Backbone interact. energy: -1.998 local terms energy: -362.176165 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -104.515 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -52.455 tors. eta vs tors. theta energy: 26.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2559.099423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.099423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.099423 (E_RNA) where: Base-Base interactions energy: -1767.346 where: short stacking energy: -731.651 Base-Backbone interact. energy: -0.948 local terms energy: -790.805117 where: bonds (distance) C4'-P energy: -156.022 bonds (distance) P-C4' energy: -147.358 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -109.873 tors. eta vs tors. theta energy: -216.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2482.583908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.583908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.583908 (E_RNA) where: Base-Base interactions energy: -1677.073 where: short stacking energy: -725.360 Base-Backbone interact. energy: -2.186 local terms energy: -803.324968 where: bonds (distance) C4'-P energy: -143.397 bonds (distance) P-C4' energy: -139.790 flat angles C4'-P-C4' energy: -176.338 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -221.987 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: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2370.454470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.454470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.454470 (E_RNA) where: Base-Base interactions energy: -1597.778 where: short stacking energy: -648.984 Base-Backbone interact. energy: 6.381 local terms energy: -779.056999 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -156.714 flat angles P-C4'-P energy: -129.118 tors. eta vs tors. theta energy: -210.299 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: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2228.625495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.625495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.625495 (E_RNA) where: Base-Base interactions energy: -1509.195 where: short stacking energy: -666.246 Base-Backbone interact. energy: 2.160 local terms energy: -721.590611 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -154.706 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -201.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2129.403937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.403937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.403937 (E_RNA) where: Base-Base interactions energy: -1439.790 where: short stacking energy: -604.292 Base-Backbone interact. energy: -2.683 local terms energy: -686.930748 where: bonds (distance) C4'-P energy: -138.140 bonds (distance) P-C4' energy: -131.207 flat angles C4'-P-C4' energy: -147.913 flat angles P-C4'-P energy: -101.117 tors. eta vs tors. theta energy: -168.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1924.157943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.157943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.157943 (E_RNA) where: Base-Base interactions energy: -1258.029 where: short stacking energy: -544.910 Base-Backbone interact. energy: -2.837 local terms energy: -663.292056 where: bonds (distance) C4'-P energy: -136.749 bonds (distance) P-C4' energy: -124.218 flat angles C4'-P-C4' energy: -158.428 flat angles P-C4'-P energy: -93.716 tors. eta vs tors. theta energy: -150.181 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: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1592.504917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.504917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.504917 (E_RNA) where: Base-Base interactions energy: -1017.198 where: short stacking energy: -455.974 Base-Backbone interact. energy: -1.744 local terms energy: -573.563196 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -91.753 tors. eta vs tors. theta energy: -121.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1273.821777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.821777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.821777 (E_RNA) where: Base-Base interactions energy: -729.781 where: short stacking energy: -352.379 Base-Backbone interact. energy: 1.183 local terms energy: -545.223927 where: bonds (distance) C4'-P energy: -136.442 bonds (distance) P-C4' energy: -132.933 flat angles C4'-P-C4' energy: -144.048 flat angles P-C4'-P energy: -68.393 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: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -689.432370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.432370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.432370 (E_RNA) where: Base-Base interactions energy: -282.734 where: short stacking energy: -197.189 Base-Backbone interact. energy: -1.139 local terms energy: -405.559842 where: bonds (distance) C4'-P energy: -117.115 bonds (distance) P-C4' energy: -111.269 flat angles C4'-P-C4' energy: -133.432 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: 9.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -539.877972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.877972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.877972 (E_RNA) where: Base-Base interactions energy: -192.717 where: short stacking energy: -146.883 Base-Backbone interact. energy: 8.503 local terms energy: -355.663971 where: bonds (distance) C4'-P energy: -103.327 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -108.787 flat angles P-C4'-P energy: -49.586 tors. eta vs tors. theta energy: 31.867 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: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2563.284449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.284449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.284449 (E_RNA) where: Base-Base interactions energy: -1734.214 where: short stacking energy: -756.330 Base-Backbone interact. energy: -5.086 local terms energy: -823.984369 where: bonds (distance) C4'-P energy: -155.678 bonds (distance) P-C4' energy: -151.354 flat angles C4'-P-C4' energy: -175.976 flat angles P-C4'-P energy: -111.796 tors. eta vs tors. theta energy: -229.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2482.803920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.803920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.803920 (E_RNA) where: Base-Base interactions energy: -1685.591 where: short stacking energy: -731.138 Base-Backbone interact. energy: -5.059 local terms energy: -792.153418 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -172.278 flat angles P-C4'-P energy: -121.787 tors. eta vs tors. theta energy: -219.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2377.319449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.319449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.319449 (E_RNA) where: Base-Base interactions energy: -1608.709 where: short stacking energy: -703.031 Base-Backbone interact. energy: -2.921 local terms energy: -765.689388 where: bonds (distance) C4'-P energy: -145.237 bonds (distance) P-C4' energy: -131.067 flat angles C4'-P-C4' energy: -162.383 flat angles P-C4'-P energy: -119.205 tors. eta vs tors. theta energy: -207.797 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: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2262.412176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.412176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.412176 (E_RNA) where: Base-Base interactions energy: -1514.195 where: short stacking energy: -644.783 Base-Backbone interact. energy: -0.974 local terms energy: -747.243503 where: bonds (distance) C4'-P energy: -135.406 bonds (distance) P-C4' energy: -137.569 flat angles C4'-P-C4' energy: -163.191 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -211.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2112.974154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.974154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.974154 (E_RNA) where: Base-Base interactions energy: -1453.810 where: short stacking energy: -615.356 Base-Backbone interact. energy: -2.367 local terms energy: -656.797466 where: bonds (distance) C4'-P energy: -112.033 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -147.465 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -175.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1889.807623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.807623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.807623 (E_RNA) where: Base-Base interactions energy: -1272.098 where: short stacking energy: -550.956 Base-Backbone interact. energy: -0.557 local terms energy: -617.152390 where: bonds (distance) C4'-P energy: -113.092 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: -154.797 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1631.250463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.250463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.250463 (E_RNA) where: Base-Base interactions energy: -1037.742 where: short stacking energy: -470.854 Base-Backbone interact. energy: -4.175 local terms energy: -589.333462 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -138.860 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -109.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1275.149003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.149003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.149003 (E_RNA) where: Base-Base interactions energy: -749.460 where: short stacking energy: -363.637 Base-Backbone interact. energy: 0.016 local terms energy: -525.704858 where: bonds (distance) C4'-P energy: -114.276 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -135.195 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -49.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -696.638619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.638619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.638619 (E_RNA) where: Base-Base interactions energy: -291.546 where: short stacking energy: -177.030 Base-Backbone interact. energy: -2.457 local terms energy: -402.635324 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -140.660 flat angles C4'-P-C4' energy: -100.299 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: 24.226 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: 271 Temperature: 1.350000 Total energy: -596.761778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.761778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.761778 (E_RNA) where: Base-Base interactions energy: -227.763 where: short stacking energy: -178.081 Base-Backbone interact. energy: 3.382 local terms energy: -372.380694 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -118.533 flat angles C4'-P-C4' energy: -97.628 flat angles P-C4'-P energy: -54.634 tors. eta vs tors. theta energy: 29.289 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: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2616.165457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.165457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.165457 (E_RNA) where: Base-Base interactions energy: -1777.734 where: short stacking energy: -755.093 Base-Backbone interact. energy: -1.944 local terms energy: -836.487621 where: bonds (distance) C4'-P energy: -154.382 bonds (distance) P-C4' energy: -157.034 flat angles C4'-P-C4' energy: -182.436 flat angles P-C4'-P energy: -111.934 tors. eta vs tors. theta energy: -230.701 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: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2462.845700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.845700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.845700 (E_RNA) where: Base-Base interactions energy: -1692.407 where: short stacking energy: -721.932 Base-Backbone interact. energy: 2.636 local terms energy: -773.073949 where: bonds (distance) C4'-P energy: -124.165 bonds (distance) P-C4' energy: -145.487 flat angles C4'-P-C4' energy: -167.470 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -226.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2363.527968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.527968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.527968 (E_RNA) where: Base-Base interactions energy: -1592.313 where: short stacking energy: -679.685 Base-Backbone interact. energy: -4.531 local terms energy: -766.683462 where: bonds (distance) C4'-P energy: -142.060 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -164.322 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -208.203 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: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2254.257570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.257570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.257570 (E_RNA) where: Base-Base interactions energy: -1556.249 where: short stacking energy: -657.436 Base-Backbone interact. energy: -1.966 local terms energy: -696.042456 where: bonds (distance) C4'-P energy: -123.986 bonds (distance) P-C4' energy: -117.273 flat angles C4'-P-C4' energy: -145.527 flat angles P-C4'-P energy: -104.717 tors. eta vs tors. theta energy: -204.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2112.898794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.898794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.898794 (E_RNA) where: Base-Base interactions energy: -1424.194 where: short stacking energy: -579.538 Base-Backbone interact. energy: -2.035 local terms energy: -686.669697 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -134.921 flat angles C4'-P-C4' energy: -144.697 flat angles P-C4'-P energy: -103.010 tors. eta vs tors. theta energy: -176.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1854.169642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.169642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.169642 (E_RNA) where: Base-Base interactions energy: -1239.082 where: short stacking energy: -545.457 Base-Backbone interact. energy: -3.268 local terms energy: -611.820124 where: bonds (distance) C4'-P energy: -112.564 bonds (distance) P-C4' energy: -130.073 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -85.933 tors. eta vs tors. theta energy: -143.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1657.675467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.675467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.675467 (E_RNA) where: Base-Base interactions energy: -1076.841 where: short stacking energy: -496.212 Base-Backbone interact. energy: 2.763 local terms energy: -583.597515 where: bonds (distance) C4'-P energy: -108.913 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -150.009 flat angles P-C4'-P energy: -86.906 tors. eta vs tors. theta energy: -110.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1232.689251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.689251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.689251 (E_RNA) where: Base-Base interactions energy: -720.227 where: short stacking energy: -355.487 Base-Backbone interact. energy: -0.931 local terms energy: -511.531253 where: bonds (distance) C4'-P energy: -99.144 bonds (distance) P-C4' energy: -136.276 flat angles C4'-P-C4' energy: -127.422 flat angles P-C4'-P energy: -73.204 tors. eta vs tors. theta energy: -75.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -721.968584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.968584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.968584 (E_RNA) where: Base-Base interactions energy: -321.102 where: short stacking energy: -217.944 Base-Backbone interact. energy: -1.309 local terms energy: -399.557223 where: bonds (distance) C4'-P energy: -128.261 bonds (distance) P-C4' energy: -136.085 flat angles C4'-P-C4' energy: -75.136 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -627.912944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.912944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.912944 (E_RNA) where: Base-Base interactions energy: -220.651 where: short stacking energy: -163.138 Base-Backbone interact. energy: -1.963 local terms energy: -405.299081 where: bonds (distance) C4'-P energy: -129.337 bonds (distance) P-C4' energy: -118.031 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: 23.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2587.577005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.577005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.577005 (E_RNA) where: Base-Base interactions energy: -1777.732 where: short stacking energy: -757.163 Base-Backbone interact. energy: 3.223 local terms energy: -813.067481 where: bonds (distance) C4'-P energy: -128.104 bonds (distance) P-C4' energy: -151.085 flat angles C4'-P-C4' energy: -185.570 flat angles P-C4'-P energy: -124.818 tors. eta vs tors. theta energy: -223.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2465.470006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.470006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.470006 (E_RNA) where: Base-Base interactions energy: -1677.118 where: short stacking energy: -703.013 Base-Backbone interact. energy: -1.438 local terms energy: -786.914154 where: bonds (distance) C4'-P energy: -144.688 bonds (distance) P-C4' energy: -156.754 flat angles C4'-P-C4' energy: -152.137 flat angles P-C4'-P energy: -111.770 tors. eta vs tors. theta energy: -221.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2352.577833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.577833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.577833 (E_RNA) where: Base-Base interactions energy: -1566.880 where: short stacking energy: -646.950 Base-Backbone interact. energy: -4.208 local terms energy: -781.489755 where: bonds (distance) C4'-P energy: -159.286 bonds (distance) P-C4' energy: -151.270 flat angles C4'-P-C4' energy: -166.182 flat angles P-C4'-P energy: -109.709 tors. eta vs tors. theta energy: -195.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2294.551355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.551355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.551355 (E_RNA) where: Base-Base interactions energy: -1554.947 where: short stacking energy: -684.950 Base-Backbone interact. energy: -1.709 local terms energy: -737.895020 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -161.443 flat angles P-C4'-P energy: -100.238 tors. eta vs tors. theta energy: -201.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2070.776631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.776631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.776631 (E_RNA) where: Base-Base interactions energy: -1415.977 where: short stacking energy: -592.672 Base-Backbone interact. energy: -0.528 local terms energy: -654.271418 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -118.465 flat angles C4'-P-C4' energy: -152.419 flat angles P-C4'-P energy: -82.951 tors. eta vs tors. theta energy: -165.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1830.415671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.415671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.415671 (E_RNA) where: Base-Base interactions energy: -1181.519 where: short stacking energy: -528.818 Base-Backbone interact. energy: -1.468 local terms energy: -647.428015 where: bonds (distance) C4'-P energy: -126.848 bonds (distance) P-C4' energy: -132.463 flat angles C4'-P-C4' energy: -147.637 flat angles P-C4'-P energy: -93.439 tors. eta vs tors. theta energy: -147.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1618.627328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.627328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.627328 (E_RNA) where: Base-Base interactions energy: -1029.985 where: short stacking energy: -454.110 Base-Backbone interact. energy: -1.745 local terms energy: -586.897337 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -119.471 flat angles P-C4'-P energy: -75.569 tors. eta vs tors. theta energy: -119.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1251.276876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.276876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.276876 (E_RNA) where: Base-Base interactions energy: -742.251 where: short stacking energy: -358.737 Base-Backbone interact. energy: 5.903 local terms energy: -514.928641 where: bonds (distance) C4'-P energy: -121.875 bonds (distance) P-C4' energy: -140.229 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -65.912 tors. eta vs tors. theta energy: -61.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -670.395562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.395562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.395562 (E_RNA) where: Base-Base interactions energy: -269.255 where: short stacking energy: -178.733 Base-Backbone interact. energy: 5.135 local terms energy: -406.275324 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -144.164 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -80.590 tors. eta vs tors. theta energy: 12.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -581.024438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.024438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.024438 (E_RNA) where: Base-Base interactions energy: -235.483 where: short stacking energy: -172.806 Base-Backbone interact. energy: -0.454 local terms energy: -345.086975 where: bonds (distance) C4'-P energy: -109.427 bonds (distance) P-C4' energy: -109.435 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -50.944 tors. eta vs tors. theta energy: 2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2570.037672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.037672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.037672 (E_RNA) where: Base-Base interactions energy: -1763.715 where: short stacking energy: -731.594 Base-Backbone interact. energy: -2.649 local terms energy: -803.673500 where: bonds (distance) C4'-P energy: -139.569 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -172.919 flat angles P-C4'-P energy: -107.033 tors. eta vs tors. theta energy: -233.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2444.425340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.425340 (E_RNA) where: Base-Base interactions energy: -1654.474 where: short stacking energy: -691.633 Base-Backbone interact. energy: -2.605 local terms energy: -787.346535 where: bonds (distance) C4'-P energy: -148.086 bonds (distance) P-C4' energy: -140.552 flat angles C4'-P-C4' energy: -170.814 flat angles P-C4'-P energy: -114.575 tors. eta vs tors. theta energy: -213.321 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: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2358.166177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.166177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.166177 (E_RNA) where: Base-Base interactions energy: -1588.189 where: short stacking energy: -665.956 Base-Backbone interact. energy: -0.472 local terms energy: -769.505170 where: bonds (distance) C4'-P energy: -141.522 bonds (distance) P-C4' energy: -163.595 flat angles C4'-P-C4' energy: -166.437 flat angles P-C4'-P energy: -106.891 tors. eta vs tors. theta energy: -191.061 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: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2289.452400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.452400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.452400 (E_RNA) where: Base-Base interactions energy: -1538.501 where: short stacking energy: -667.472 Base-Backbone interact. energy: 0.163 local terms energy: -751.114562 where: bonds (distance) C4'-P energy: -135.067 bonds (distance) P-C4' energy: -146.889 flat angles C4'-P-C4' energy: -175.760 flat angles P-C4'-P energy: -89.412 tors. eta vs tors. theta energy: -203.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2147.488444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.488444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.488444 (E_RNA) where: Base-Base interactions energy: -1464.749 where: short stacking energy: -626.116 Base-Backbone interact. energy: -2.669 local terms energy: -680.070307 where: bonds (distance) C4'-P energy: -131.052 bonds (distance) P-C4' energy: -135.218 flat angles C4'-P-C4' energy: -159.742 flat angles P-C4'-P energy: -82.017 tors. eta vs tors. theta energy: -172.041 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: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1958.271085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.271085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.271085 (E_RNA) where: Base-Base interactions energy: -1294.301 where: short stacking energy: -571.863 Base-Backbone interact. energy: -1.907 local terms energy: -662.064015 where: bonds (distance) C4'-P energy: -108.666 bonds (distance) P-C4' energy: -141.759 flat angles C4'-P-C4' energy: -152.407 flat angles P-C4'-P energy: -98.774 tors. eta vs tors. theta energy: -160.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1618.385896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.385896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.385896 (E_RNA) where: Base-Base interactions energy: -1059.577 where: short stacking energy: -492.872 Base-Backbone interact. energy: -2.507 local terms energy: -556.301740 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -137.945 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -112.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1325.015186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.015186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.015186 (E_RNA) where: Base-Base interactions energy: -778.547 where: short stacking energy: -380.877 Base-Backbone interact. energy: -1.006 local terms energy: -545.462011 where: bonds (distance) C4'-P energy: -116.114 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -141.907 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -66.251 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: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -660.923460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.923460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.923460 (E_RNA) where: Base-Base interactions energy: -230.152 where: short stacking energy: -180.345 Base-Backbone interact. energy: 4.236 local terms energy: -435.007690 where: bonds (distance) C4'-P energy: -110.951 bonds (distance) P-C4' energy: -125.222 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -74.960 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -676.087385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.087385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.087385 (E_RNA) where: Base-Base interactions energy: -248.272 where: short stacking energy: -153.644 Base-Backbone interact. energy: 4.672 local terms energy: -432.486621 where: bonds (distance) C4'-P energy: -125.784 bonds (distance) P-C4' energy: -126.477 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: 3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2553.312522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.312522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.312522 (E_RNA) where: Base-Base interactions energy: -1741.658 where: short stacking energy: -728.377 Base-Backbone interact. energy: -0.487 local terms energy: -811.168054 where: bonds (distance) C4'-P energy: -159.737 bonds (distance) P-C4' energy: -144.104 flat angles C4'-P-C4' energy: -172.134 flat angles P-C4'-P energy: -105.685 tors. eta vs tors. theta energy: -229.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2484.159155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.159155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.159155 (E_RNA) where: Base-Base interactions energy: -1670.960 where: short stacking energy: -723.679 Base-Backbone interact. energy: 0.047 local terms energy: -813.246062 where: bonds (distance) C4'-P energy: -144.878 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -175.329 flat angles P-C4'-P energy: -116.571 tors. eta vs tors. theta energy: -221.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2382.325062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.325062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.325062 (E_RNA) where: Base-Base interactions energy: -1618.551 where: short stacking energy: -653.446 Base-Backbone interact. energy: 0.752 local terms energy: -764.526527 where: bonds (distance) C4'-P energy: -150.937 bonds (distance) P-C4' energy: -134.742 flat angles C4'-P-C4' energy: -163.078 flat angles P-C4'-P energy: -116.778 tors. eta vs tors. theta energy: -198.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2305.767235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.767235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.767235 (E_RNA) where: Base-Base interactions energy: -1573.283 where: short stacking energy: -684.482 Base-Backbone interact. energy: -3.191 local terms energy: -729.293731 where: bonds (distance) C4'-P energy: -133.712 bonds (distance) P-C4' energy: -127.385 flat angles C4'-P-C4' energy: -159.889 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -210.401 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: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2149.124450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.124450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.124450 (E_RNA) where: Base-Base interactions energy: -1471.404 where: short stacking energy: -601.282 Base-Backbone interact. energy: 1.872 local terms energy: -679.592270 where: bonds (distance) C4'-P energy: -129.558 bonds (distance) P-C4' energy: -148.974 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -168.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1874.771806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.771806 (E_RNA) where: Base-Base interactions energy: -1252.618 where: short stacking energy: -527.898 Base-Backbone interact. energy: 4.727 local terms energy: -626.880217 where: bonds (distance) C4'-P energy: -134.771 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -134.979 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -131.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1611.499537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.499537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.499537 (E_RNA) where: Base-Base interactions energy: -1044.287 where: short stacking energy: -445.169 Base-Backbone interact. energy: -0.184 local terms energy: -567.028606 where: bonds (distance) C4'-P energy: -118.895 bonds (distance) P-C4' energy: -131.996 flat angles C4'-P-C4' energy: -117.525 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -122.808 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: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1141.927072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.927072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.927072 (E_RNA) where: Base-Base interactions energy: -662.455 where: short stacking energy: -349.467 Base-Backbone interact. energy: -0.699 local terms energy: -478.772888 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -128.098 flat angles C4'-P-C4' energy: -111.767 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -52.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -661.883331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.883331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.883331 (E_RNA) where: Base-Base interactions energy: -262.854 where: short stacking energy: -195.990 Base-Backbone interact. energy: 1.871 local terms energy: -400.900134 where: bonds (distance) C4'-P energy: -124.948 bonds (distance) P-C4' energy: -123.410 flat angles C4'-P-C4' energy: -96.981 flat angles P-C4'-P energy: -72.725 tors. eta vs tors. theta energy: 17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -654.072406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.072406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.072406 (E_RNA) where: Base-Base interactions energy: -246.847 where: short stacking energy: -177.708 Base-Backbone interact. energy: -1.932 local terms energy: -405.293868 where: bonds (distance) C4'-P energy: -114.670 bonds (distance) P-C4' energy: -138.376 flat angles C4'-P-C4' energy: -97.826 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2532.302977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.302977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.302977 (E_RNA) where: Base-Base interactions energy: -1725.497 where: short stacking energy: -760.570 Base-Backbone interact. energy: -2.090 local terms energy: -804.715780 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -153.214 flat angles C4'-P-C4' energy: -178.267 flat angles P-C4'-P energy: -100.175 tors. eta vs tors. theta energy: -219.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2491.581514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.581514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.581514 (E_RNA) where: Base-Base interactions energy: -1701.316 where: short stacking energy: -723.050 Base-Backbone interact. energy: -2.765 local terms energy: -787.500468 where: bonds (distance) C4'-P energy: -149.918 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -171.929 flat angles P-C4'-P energy: -116.287 tors. eta vs tors. theta energy: -207.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2429.060283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.060283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.060283 (E_RNA) where: Base-Base interactions energy: -1657.359 where: short stacking energy: -708.584 Base-Backbone interact. energy: -1.086 local terms energy: -770.616006 where: bonds (distance) C4'-P energy: -139.483 bonds (distance) P-C4' energy: -140.000 flat angles C4'-P-C4' energy: -168.244 flat angles P-C4'-P energy: -109.749 tors. eta vs tors. theta energy: -213.140 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: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2266.979783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.979783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.979783 (E_RNA) where: Base-Base interactions energy: -1517.135 where: short stacking energy: -644.296 Base-Backbone interact. energy: 1.101 local terms energy: -750.945589 where: bonds (distance) C4'-P energy: -131.003 bonds (distance) P-C4' energy: -142.685 flat angles C4'-P-C4' energy: -149.913 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -214.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2166.119917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.119917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.119917 (E_RNA) where: Base-Base interactions energy: -1461.347 where: short stacking energy: -641.424 Base-Backbone interact. energy: 1.468 local terms energy: -706.240465 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -154.542 flat angles P-C4'-P energy: -104.073 tors. eta vs tors. theta energy: -179.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1907.752521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.752521 (E_RNA) where: Base-Base interactions energy: -1268.012 where: short stacking energy: -544.079 Base-Backbone interact. energy: 0.521 local terms energy: -640.261519 where: bonds (distance) C4'-P energy: -137.297 bonds (distance) P-C4' energy: -111.255 flat angles C4'-P-C4' energy: -143.849 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -149.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1615.390463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.390463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.390463 (E_RNA) where: Base-Base interactions energy: -1029.524 where: short stacking energy: -454.097 Base-Backbone interact. energy: -4.634 local terms energy: -581.233293 where: bonds (distance) C4'-P energy: -133.772 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -129.748 flat angles P-C4'-P energy: -78.977 tors. eta vs tors. theta energy: -101.746 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: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1221.810492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.810492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.810492 (E_RNA) where: Base-Base interactions energy: -726.211 where: short stacking energy: -338.149 Base-Backbone interact. energy: -3.190 local terms energy: -492.409688 where: bonds (distance) C4'-P energy: -117.594 bonds (distance) P-C4' energy: -131.935 flat angles C4'-P-C4' energy: -112.820 flat angles P-C4'-P energy: -84.990 tors. eta vs tors. theta energy: -45.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -678.552293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.552293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.552293 (E_RNA) where: Base-Base interactions energy: -260.381 where: short stacking energy: -178.459 Base-Backbone interact. energy: -0.677 local terms energy: -417.493921 where: bonds (distance) C4'-P energy: -131.739 bonds (distance) P-C4' energy: -134.103 flat angles C4'-P-C4' energy: -101.447 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: 10.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -634.541850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.541850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.541850 (E_RNA) where: Base-Base interactions energy: -264.518 where: short stacking energy: -154.841 Base-Backbone interact. energy: 5.350 local terms energy: -375.374010 where: bonds (distance) C4'-P energy: -108.355 bonds (distance) P-C4' energy: -128.460 flat angles C4'-P-C4' energy: -106.481 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: 41.600 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2572.300158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.300158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.300158 (E_RNA) where: Base-Base interactions energy: -1746.360 where: short stacking energy: -750.052 Base-Backbone interact. energy: 4.386 local terms energy: -830.325733 where: bonds (distance) C4'-P energy: -159.402 bonds (distance) P-C4' energy: -142.391 flat angles C4'-P-C4' energy: -179.109 flat angles P-C4'-P energy: -123.817 tors. eta vs tors. theta energy: -225.607 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: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2522.881683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.881683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.881683 (E_RNA) where: Base-Base interactions energy: -1723.906 where: short stacking energy: -728.465 Base-Backbone interact. energy: -2.089 local terms energy: -796.887494 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -133.853 flat angles C4'-P-C4' energy: -172.677 flat angles P-C4'-P energy: -114.178 tors. eta vs tors. theta energy: -230.727 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: 277 Temperature: 1.000000 Total energy: -2401.980310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.980310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.980310 (E_RNA) where: Base-Base interactions energy: -1633.478 where: short stacking energy: -694.708 Base-Backbone interact. energy: -3.856 local terms energy: -764.646030 where: bonds (distance) C4'-P energy: -133.205 bonds (distance) P-C4' energy: -146.602 flat angles C4'-P-C4' energy: -173.913 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: -212.137 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: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2262.142206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.142206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.142206 (E_RNA) where: Base-Base interactions energy: -1525.054 where: short stacking energy: -649.208 Base-Backbone interact. energy: -4.270 local terms energy: -732.818876 where: bonds (distance) C4'-P energy: -142.517 bonds (distance) P-C4' energy: -128.007 flat angles C4'-P-C4' energy: -161.527 flat angles P-C4'-P energy: -104.679 tors. eta vs tors. theta energy: -196.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2128.401331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.401331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.401331 (E_RNA) where: Base-Base interactions energy: -1460.618 where: short stacking energy: -615.209 Base-Backbone interact. energy: -0.848 local terms energy: -666.935067 where: bonds (distance) C4'-P energy: -136.599 bonds (distance) P-C4' energy: -126.057 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -169.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1899.487652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.487652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.487652 (E_RNA) where: Base-Base interactions energy: -1266.989 where: short stacking energy: -529.612 Base-Backbone interact. energy: 1.621 local terms energy: -634.120486 where: bonds (distance) C4'-P energy: -127.437 bonds (distance) P-C4' energy: -137.392 flat angles C4'-P-C4' energy: -144.028 flat angles P-C4'-P energy: -83.701 tors. eta vs tors. theta energy: -141.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1662.291672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.291672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.291672 (E_RNA) where: Base-Base interactions energy: -1099.856 where: short stacking energy: -486.280 Base-Backbone interact. energy: 0.152 local terms energy: -562.587932 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -112.898 flat angles C4'-P-C4' energy: -135.189 flat angles P-C4'-P energy: -78.595 tors. eta vs tors. theta energy: -111.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1226.291848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.291848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.291848 (E_RNA) where: Base-Base interactions energy: -699.485 where: short stacking energy: -350.775 Base-Backbone interact. energy: 0.545 local terms energy: -527.352672 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -129.779 flat angles C4'-P-C4' energy: -129.598 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: -72.798 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: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -771.650347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.650347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.650347 (E_RNA) where: Base-Base interactions energy: -344.517 where: short stacking energy: -217.047 Base-Backbone interact. energy: -1.553 local terms energy: -425.580384 where: bonds (distance) C4'-P energy: -134.264 bonds (distance) P-C4' energy: -126.104 flat angles C4'-P-C4' energy: -108.176 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: 11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -605.791996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.791996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.791996 (E_RNA) where: Base-Base interactions energy: -211.297 where: short stacking energy: -129.374 Base-Backbone interact. energy: -2.839 local terms energy: -391.655813 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -139.374 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: 27.879 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: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2569.074531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.074531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.074531 (E_RNA) where: Base-Base interactions energy: -1747.525 where: short stacking energy: -737.797 Base-Backbone interact. energy: -4.099 local terms energy: -817.449639 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -155.453 flat angles C4'-P-C4' energy: -172.768 flat angles P-C4'-P energy: -115.198 tors. eta vs tors. theta energy: -230.890 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: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2487.596987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.596987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.596987 (E_RNA) where: Base-Base interactions energy: -1699.964 where: short stacking energy: -710.651 Base-Backbone interact. energy: -1.932 local terms energy: -785.701165 where: bonds (distance) C4'-P energy: -145.865 bonds (distance) P-C4' energy: -146.179 flat angles C4'-P-C4' energy: -163.048 flat angles P-C4'-P energy: -117.306 tors. eta vs tors. theta energy: -213.303 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: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2399.093382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.093382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.093382 (E_RNA) where: Base-Base interactions energy: -1621.981 where: short stacking energy: -685.727 Base-Backbone interact. energy: -2.003 local terms energy: -775.110005 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -144.188 flat angles C4'-P-C4' energy: -171.764 flat angles P-C4'-P energy: -117.487 tors. eta vs tors. theta energy: -210.340 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: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2305.022478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.022478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.022478 (E_RNA) where: Base-Base interactions energy: -1545.756 where: short stacking energy: -666.665 Base-Backbone interact. energy: -3.047 local terms energy: -756.220139 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -144.592 flat angles C4'-P-C4' energy: -166.467 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -211.427 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: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2179.770515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.770515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.770515 (E_RNA) where: Base-Base interactions energy: -1512.024 where: short stacking energy: -610.251 Base-Backbone interact. energy: -1.149 local terms energy: -666.597358 where: bonds (distance) C4'-P energy: -114.288 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -150.194 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -184.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1922.268290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.268290 (E_RNA) where: Base-Base interactions energy: -1295.905 where: short stacking energy: -562.110 Base-Backbone interact. energy: 1.514 local terms energy: -627.877289 where: bonds (distance) C4'-P energy: -129.179 bonds (distance) P-C4' energy: -133.222 flat angles C4'-P-C4' energy: -135.534 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -149.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1614.912736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.912736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.912736 (E_RNA) where: Base-Base interactions energy: -1023.030 where: short stacking energy: -461.132 Base-Backbone interact. energy: -0.180 local terms energy: -591.702888 where: bonds (distance) C4'-P energy: -152.017 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -128.715 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -110.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1167.615297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.615297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.615297 (E_RNA) where: Base-Base interactions energy: -671.490 where: short stacking energy: -327.086 Base-Backbone interact. energy: 3.199 local terms energy: -499.324711 where: bonds (distance) C4'-P energy: -123.609 bonds (distance) P-C4' energy: -137.826 flat angles C4'-P-C4' energy: -111.900 flat angles P-C4'-P energy: -79.167 tors. eta vs tors. theta energy: -46.822 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: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -830.446225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.446225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.446225 (E_RNA) where: Base-Base interactions energy: -397.944 where: short stacking energy: -222.391 Base-Backbone interact. energy: 0.927 local terms energy: -433.429211 where: bonds (distance) C4'-P energy: -94.126 bonds (distance) P-C4' energy: -131.629 flat angles C4'-P-C4' energy: -140.180 flat angles P-C4'-P energy: -63.969 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -642.559175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.559175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.559175 (E_RNA) where: Base-Base interactions energy: -263.068 where: short stacking energy: -170.035 Base-Backbone interact. energy: 0.043 local terms energy: -379.534650 where: bonds (distance) C4'-P energy: -108.084 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -109.372 flat angles P-C4'-P energy: -51.016 tors. eta vs tors. theta energy: 14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2605.520011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.520011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.520011 (E_RNA) where: Base-Base interactions energy: -1770.048 where: short stacking energy: -761.151 Base-Backbone interact. energy: -2.739 local terms energy: -832.733651 where: bonds (distance) C4'-P energy: -159.215 bonds (distance) P-C4' energy: -149.448 flat angles C4'-P-C4' energy: -174.436 flat angles P-C4'-P energy: -119.859 tors. eta vs tors. theta energy: -229.776 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: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2506.771452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.771452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.771452 (E_RNA) where: Base-Base interactions energy: -1698.966 where: short stacking energy: -717.416 Base-Backbone interact. energy: -2.233 local terms energy: -805.571854 where: bonds (distance) C4'-P energy: -158.869 bonds (distance) P-C4' energy: -149.699 flat angles C4'-P-C4' energy: -175.782 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -220.959 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: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2417.150706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.150706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.150706 (E_RNA) where: Base-Base interactions energy: -1641.244 where: short stacking energy: -694.937 Base-Backbone interact. energy: 5.127 local terms energy: -781.033666 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -146.086 flat angles C4'-P-C4' energy: -167.110 flat angles P-C4'-P energy: -116.036 tors. eta vs tors. theta energy: -210.595 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: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2265.789834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.789834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.789834 (E_RNA) where: Base-Base interactions energy: -1523.703 where: short stacking energy: -673.128 Base-Backbone interact. energy: -2.077 local terms energy: -740.009653 where: bonds (distance) C4'-P energy: -141.020 bonds (distance) P-C4' energy: -130.775 flat angles C4'-P-C4' energy: -159.986 flat angles P-C4'-P energy: -107.341 tors. eta vs tors. theta energy: -200.888 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: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2165.239762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.239762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.239762 (E_RNA) where: Base-Base interactions energy: -1485.444 where: short stacking energy: -593.187 Base-Backbone interact. energy: 0.724 local terms energy: -680.519814 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -139.283 flat angles C4'-P-C4' energy: -157.984 flat angles P-C4'-P energy: -90.337 tors. eta vs tors. theta energy: -173.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1857.429201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.429201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.429201 (E_RNA) where: Base-Base interactions energy: -1248.545 where: short stacking energy: -540.192 Base-Backbone interact. energy: -1.303 local terms energy: -607.581512 where: bonds (distance) C4'-P energy: -115.104 bonds (distance) P-C4' energy: -115.808 flat angles C4'-P-C4' energy: -147.138 flat angles P-C4'-P energy: -94.655 tors. eta vs tors. theta energy: -134.876 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: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1586.073958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.073958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.073958 (E_RNA) where: Base-Base interactions energy: -1020.846 where: short stacking energy: -464.111 Base-Backbone interact. energy: -2.807 local terms energy: -562.421292 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -125.365 flat angles C4'-P-C4' energy: -155.263 flat angles P-C4'-P energy: -73.228 tors. eta vs tors. theta energy: -107.476 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: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1155.447165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.447165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.447165 (E_RNA) where: Base-Base interactions energy: -665.790 where: short stacking energy: -353.181 Base-Backbone interact. energy: 1.027 local terms energy: -490.683883 where: bonds (distance) C4'-P energy: -131.723 bonds (distance) P-C4' energy: -122.517 flat angles C4'-P-C4' energy: -129.315 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -39.013 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: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -810.146101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.146101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.146101 (E_RNA) where: Base-Base interactions energy: -387.208 where: short stacking energy: -211.264 Base-Backbone interact. energy: 1.045 local terms energy: -423.982612 where: bonds (distance) C4'-P energy: -127.460 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -117.632 flat angles P-C4'-P energy: -69.953 tors. eta vs tors. theta energy: 11.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -642.372830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.372830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.372830 (E_RNA) where: Base-Base interactions energy: -270.766 where: short stacking energy: -185.446 Base-Backbone interact. energy: 1.378 local terms energy: -372.984709 where: bonds (distance) C4'-P energy: -121.841 bonds (distance) P-C4' energy: -118.045 flat angles C4'-P-C4' energy: -86.902 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: 17.538 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: 280 Temperature: 0.900000 Total energy: -2602.918776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.918776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.918776 (E_RNA) where: Base-Base interactions energy: -1805.394 where: short stacking energy: -751.027 Base-Backbone interact. energy: -5.050 local terms energy: -792.475319 where: bonds (distance) C4'-P energy: -139.839 bonds (distance) P-C4' energy: -146.369 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -109.805 tors. eta vs tors. theta energy: -225.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2502.719299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.719299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.719299 (E_RNA) where: Base-Base interactions energy: -1737.547 where: short stacking energy: -740.738 Base-Backbone interact. energy: -1.419 local terms energy: -763.752441 where: bonds (distance) C4'-P energy: -127.321 bonds (distance) P-C4' energy: -150.270 flat angles C4'-P-C4' energy: -151.858 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -222.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2382.976286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.976286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.976286 (E_RNA) where: Base-Base interactions energy: -1608.527 where: short stacking energy: -683.794 Base-Backbone interact. energy: -2.400 local terms energy: -772.048730 where: bonds (distance) C4'-P energy: -137.054 bonds (distance) P-C4' energy: -145.564 flat angles C4'-P-C4' energy: -171.038 flat angles P-C4'-P energy: -112.306 tors. eta vs tors. theta energy: -206.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2311.026284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.026284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.026284 (E_RNA) where: Base-Base interactions energy: -1571.023 where: short stacking energy: -698.075 Base-Backbone interact. energy: -2.656 local terms energy: -737.347785 where: bonds (distance) C4'-P energy: -144.400 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -161.917 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -206.667 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: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2094.847838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.847838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.847838 (E_RNA) where: Base-Base interactions energy: -1438.520 where: short stacking energy: -562.332 Base-Backbone interact. energy: 3.141 local terms energy: -659.469163 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -133.440 flat angles C4'-P-C4' energy: -146.846 flat angles P-C4'-P energy: -95.864 tors. eta vs tors. theta energy: -168.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1903.854645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.854645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.854645 (E_RNA) where: Base-Base interactions energy: -1255.453 where: short stacking energy: -531.942 Base-Backbone interact. energy: 1.406 local terms energy: -649.807463 where: bonds (distance) C4'-P energy: -109.560 bonds (distance) P-C4' energy: -139.333 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -150.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1570.413023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.413023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.413023 (E_RNA) where: Base-Base interactions energy: -1000.165 where: short stacking energy: -453.948 Base-Backbone interact. energy: -2.839 local terms energy: -567.408949 where: bonds (distance) C4'-P energy: -123.488 bonds (distance) P-C4' energy: -132.958 flat angles C4'-P-C4' energy: -127.305 flat angles P-C4'-P energy: -87.340 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1195.855259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.855259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.855259 (E_RNA) where: Base-Base interactions energy: -672.542 where: short stacking energy: -333.016 Base-Backbone interact. energy: -3.074 local terms energy: -520.238405 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -133.191 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -69.259 tors. eta vs tors. theta energy: -54.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -804.920136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.920136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.920136 (E_RNA) where: Base-Base interactions energy: -387.568 where: short stacking energy: -220.926 Base-Backbone interact. energy: 6.801 local terms energy: -424.153366 where: bonds (distance) C4'-P energy: -127.202 bonds (distance) P-C4' energy: -120.542 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: 0.901 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: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -640.001290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.001290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.001290 (E_RNA) where: Base-Base interactions energy: -294.092 where: short stacking energy: -197.349 Base-Backbone interact. energy: 0.174 local terms energy: -346.082576 where: bonds (distance) C4'-P energy: -89.159 bonds (distance) P-C4' energy: -122.753 flat angles C4'-P-C4' energy: -88.179 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: 24.263 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: 281 Temperature: 0.900000 Total energy: -2596.080984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.080984 (E_RNA) where: Base-Base interactions energy: -1769.785 where: short stacking energy: -758.582 Base-Backbone interact. energy: -3.797 local terms energy: -822.499337 where: bonds (distance) C4'-P energy: -152.317 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -177.621 flat angles P-C4'-P energy: -121.394 tors. eta vs tors. theta energy: -221.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2517.369197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.369197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.369197 (E_RNA) where: Base-Base interactions energy: -1715.096 where: short stacking energy: -748.339 Base-Backbone interact. energy: -2.998 local terms energy: -799.274943 where: bonds (distance) C4'-P energy: -148.182 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -163.742 flat angles P-C4'-P energy: -114.855 tors. eta vs tors. theta energy: -233.851 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: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2386.257634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.257634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.257634 (E_RNA) where: Base-Base interactions energy: -1622.680 where: short stacking energy: -687.966 Base-Backbone interact. energy: -0.643 local terms energy: -762.934781 where: bonds (distance) C4'-P energy: -137.353 bonds (distance) P-C4' energy: -154.180 flat angles C4'-P-C4' energy: -168.458 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -215.485 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: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2262.341657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.341657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.341657 (E_RNA) where: Base-Base interactions energy: -1531.903 where: short stacking energy: -680.029 Base-Backbone interact. energy: -3.304 local terms energy: -727.134920 where: bonds (distance) C4'-P energy: -125.419 bonds (distance) P-C4' energy: -139.696 flat angles C4'-P-C4' energy: -152.573 flat angles P-C4'-P energy: -96.440 tors. eta vs tors. theta energy: -213.007 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: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2147.063079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.063079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.063079 (E_RNA) where: Base-Base interactions energy: -1457.291 where: short stacking energy: -587.630 Base-Backbone interact. energy: -5.966 local terms energy: -683.806067 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -123.329 flat angles C4'-P-C4' energy: -163.581 flat angles P-C4'-P energy: -104.596 tors. eta vs tors. theta energy: -174.970 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: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1849.494139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.494139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.494139 (E_RNA) where: Base-Base interactions energy: -1208.044 where: short stacking energy: -495.738 Base-Backbone interact. energy: -2.508 local terms energy: -638.942114 where: bonds (distance) C4'-P energy: -132.651 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -92.490 tors. eta vs tors. theta energy: -128.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1569.552588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.552588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.552588 (E_RNA) where: Base-Base interactions energy: -967.928 where: short stacking energy: -437.468 Base-Backbone interact. energy: -1.223 local terms energy: -600.401244 where: bonds (distance) C4'-P energy: -134.193 bonds (distance) P-C4' energy: -133.674 flat angles C4'-P-C4' energy: -146.643 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -96.763 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: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1079.117327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.117327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.117327 (E_RNA) where: Base-Base interactions energy: -581.813 where: short stacking energy: -289.260 Base-Backbone interact. energy: 2.817 local terms energy: -500.121000 where: bonds (distance) C4'-P energy: -126.183 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -119.192 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -36.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -836.460309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.460309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.460309 (E_RNA) where: Base-Base interactions energy: -413.671 where: short stacking energy: -214.144 Base-Backbone interact. energy: 3.467 local terms energy: -426.255662 where: bonds (distance) C4'-P energy: -129.572 bonds (distance) P-C4' energy: -124.683 flat angles C4'-P-C4' energy: -108.019 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: -9.275 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: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -632.136091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.136091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.136091 (E_RNA) where: Base-Base interactions energy: -241.460 where: short stacking energy: -166.149 Base-Backbone interact. energy: 5.270 local terms energy: -395.946720 where: bonds (distance) C4'-P energy: -112.662 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -79.590 tors. eta vs tors. theta energy: 22.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2599.621779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.621779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.621779 (E_RNA) where: Base-Base interactions energy: -1781.877 where: short stacking energy: -774.223 Base-Backbone interact. energy: -5.143 local terms energy: -812.601540 where: bonds (distance) C4'-P energy: -139.492 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -165.200 flat angles P-C4'-P energy: -119.962 tors. eta vs tors. theta energy: -235.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2508.162951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.162951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.162951 (E_RNA) where: Base-Base interactions energy: -1702.077 where: short stacking energy: -712.280 Base-Backbone interact. energy: -2.980 local terms energy: -803.106554 where: bonds (distance) C4'-P energy: -149.415 bonds (distance) P-C4' energy: -153.739 flat angles C4'-P-C4' energy: -164.462 flat angles P-C4'-P energy: -109.733 tors. eta vs tors. theta energy: -225.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2343.167600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.167600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.167600 (E_RNA) where: Base-Base interactions energy: -1597.437 where: short stacking energy: -675.425 Base-Backbone interact. energy: -3.301 local terms energy: -742.430067 where: bonds (distance) C4'-P energy: -126.231 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -90.801 tors. eta vs tors. theta energy: -211.339 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: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2214.645877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.645877 (E_RNA) where: Base-Base interactions energy: -1475.731 where: short stacking energy: -663.190 Base-Backbone interact. energy: -2.798 local terms energy: -736.117825 where: bonds (distance) C4'-P energy: -129.134 bonds (distance) P-C4' energy: -120.967 flat angles C4'-P-C4' energy: -171.047 flat angles P-C4'-P energy: -100.216 tors. eta vs tors. theta energy: -214.754 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: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2155.708254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.708254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.708254 (E_RNA) where: Base-Base interactions energy: -1468.107 where: short stacking energy: -612.140 Base-Backbone interact. energy: -0.307 local terms energy: -687.294049 where: bonds (distance) C4'-P energy: -137.402 bonds (distance) P-C4' energy: -144.248 flat angles C4'-P-C4' energy: -148.366 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -159.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1881.406154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.406154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.406154 (E_RNA) where: Base-Base interactions energy: -1219.058 where: short stacking energy: -520.195 Base-Backbone interact. energy: -1.866 local terms energy: -660.481286 where: bonds (distance) C4'-P energy: -133.770 bonds (distance) P-C4' energy: -141.693 flat angles C4'-P-C4' energy: -156.266 flat angles P-C4'-P energy: -94.248 tors. eta vs tors. theta energy: -134.504 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: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1592.675322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.675322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.675322 (E_RNA) where: Base-Base interactions energy: -1022.529 where: short stacking energy: -478.594 Base-Backbone interact. energy: -1.728 local terms energy: -568.418465 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -146.529 flat angles C4'-P-C4' energy: -119.662 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -120.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1039.260342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.260342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.260342 (E_RNA) where: Base-Base interactions energy: -571.212 where: short stacking energy: -298.916 Base-Backbone interact. energy: -1.426 local terms energy: -466.622168 where: bonds (distance) C4'-P energy: -129.134 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -118.914 flat angles P-C4'-P energy: -55.228 tors. eta vs tors. theta energy: -42.047 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: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -709.571297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.571297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.571297 (E_RNA) where: Base-Base interactions energy: -330.559 where: short stacking energy: -180.586 Base-Backbone interact. energy: -4.415 local terms energy: -374.597742 where: bonds (distance) C4'-P energy: -109.321 bonds (distance) P-C4' energy: -130.432 flat angles C4'-P-C4' energy: -99.267 flat angles P-C4'-P energy: -58.074 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: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -635.273993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.273993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.273993 (E_RNA) where: Base-Base interactions energy: -269.191 where: short stacking energy: -167.497 Base-Backbone interact. energy: 2.682 local terms energy: -368.764722 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -108.833 flat angles C4'-P-C4' energy: -101.650 flat angles P-C4'-P energy: -79.979 tors. eta vs tors. theta energy: 22.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2598.442742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.442742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.442742 (E_RNA) where: Base-Base interactions energy: -1763.668 where: short stacking energy: -744.797 Base-Backbone interact. energy: 1.113 local terms energy: -835.887517 where: bonds (distance) C4'-P energy: -152.982 bonds (distance) P-C4' energy: -154.838 flat angles C4'-P-C4' energy: -174.782 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -226.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2514.819036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.819036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.819036 (E_RNA) where: Base-Base interactions energy: -1718.459 where: short stacking energy: -724.041 Base-Backbone interact. energy: -2.026 local terms energy: -794.334209 where: bonds (distance) C4'-P energy: -134.298 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -178.235 flat angles P-C4'-P energy: -105.900 tors. eta vs tors. theta energy: -220.786 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: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2375.161906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.161906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.161906 (E_RNA) where: Base-Base interactions energy: -1585.622 where: short stacking energy: -680.038 Base-Backbone interact. energy: -1.706 local terms energy: -787.834065 where: bonds (distance) C4'-P energy: -160.962 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -155.589 flat angles P-C4'-P energy: -104.166 tors. eta vs tors. theta energy: -208.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2230.737171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.737171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.737171 (E_RNA) where: Base-Base interactions energy: -1477.528 where: short stacking energy: -646.269 Base-Backbone interact. energy: -2.623 local terms energy: -750.585826 where: bonds (distance) C4'-P energy: -131.254 bonds (distance) P-C4' energy: -147.657 flat angles C4'-P-C4' energy: -156.302 flat angles P-C4'-P energy: -108.391 tors. eta vs tors. theta energy: -206.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2157.492806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.492806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.492806 (E_RNA) where: Base-Base interactions energy: -1462.259 where: short stacking energy: -627.519 Base-Backbone interact. energy: -0.498 local terms energy: -694.736137 where: bonds (distance) C4'-P energy: -139.270 bonds (distance) P-C4' energy: -131.590 flat angles C4'-P-C4' energy: -143.337 flat angles P-C4'-P energy: -96.063 tors. eta vs tors. theta energy: -184.476 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: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1886.029688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.029688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.029688 (E_RNA) where: Base-Base interactions energy: -1257.350 where: short stacking energy: -542.111 Base-Backbone interact. energy: -0.353 local terms energy: -628.326760 where: bonds (distance) C4'-P energy: -126.300 bonds (distance) P-C4' energy: -140.088 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -138.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1633.445477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.445477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.445477 (E_RNA) where: Base-Base interactions energy: -1050.549 where: short stacking energy: -432.979 Base-Backbone interact. energy: 2.471 local terms energy: -585.367165 where: bonds (distance) C4'-P energy: -129.784 bonds (distance) P-C4' energy: -131.161 flat angles C4'-P-C4' energy: -125.822 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -93.724 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: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1087.498821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.498821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.498821 (E_RNA) where: Base-Base interactions energy: -598.888 where: short stacking energy: -291.974 Base-Backbone interact. energy: -2.207 local terms energy: -486.403231 where: bonds (distance) C4'-P energy: -105.204 bonds (distance) P-C4' energy: -140.926 flat angles C4'-P-C4' energy: -110.111 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -50.078 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: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -717.061373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.061373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.061373 (E_RNA) where: Base-Base interactions energy: -288.498 where: short stacking energy: -184.197 Base-Backbone interact. energy: 0.988 local terms energy: -429.551964 where: bonds (distance) C4'-P energy: -121.045 bonds (distance) P-C4' energy: -120.111 flat angles C4'-P-C4' energy: -130.637 flat angles P-C4'-P energy: -67.726 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: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -614.073748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.073748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.073748 (E_RNA) where: Base-Base interactions energy: -238.482 where: short stacking energy: -150.447 Base-Backbone interact. energy: 8.600 local terms energy: -384.191641 where: bonds (distance) C4'-P energy: -122.226 bonds (distance) P-C4' energy: -118.374 flat angles C4'-P-C4' energy: -100.120 flat angles P-C4'-P energy: -59.166 tors. eta vs tors. theta energy: 15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2607.709242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.709242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.709242 (E_RNA) where: Base-Base interactions energy: -1789.418 where: short stacking energy: -739.095 Base-Backbone interact. energy: -3.153 local terms energy: -815.138469 where: bonds (distance) C4'-P energy: -155.257 bonds (distance) P-C4' energy: -148.664 flat angles C4'-P-C4' energy: -174.567 flat angles P-C4'-P energy: -116.057 tors. eta vs tors. theta energy: -220.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2520.401256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.401256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.401256 (E_RNA) where: Base-Base interactions energy: -1719.265 where: short stacking energy: -709.524 Base-Backbone interact. energy: -0.734 local terms energy: -800.403201 where: bonds (distance) C4'-P energy: -152.824 bonds (distance) P-C4' energy: -160.228 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -112.037 tors. eta vs tors. theta energy: -210.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2381.907713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.907713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.907713 (E_RNA) where: Base-Base interactions energy: -1636.070 where: short stacking energy: -653.565 Base-Backbone interact. energy: 4.292 local terms energy: -750.129696 where: bonds (distance) C4'-P energy: -145.612 bonds (distance) P-C4' energy: -146.400 flat angles C4'-P-C4' energy: -165.691 flat angles P-C4'-P energy: -93.497 tors. eta vs tors. theta energy: -198.929 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: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2191.014211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.014211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.014211 (E_RNA) where: Base-Base interactions energy: -1461.821 where: short stacking energy: -621.978 Base-Backbone interact. energy: -2.483 local terms energy: -726.710229 where: bonds (distance) C4'-P energy: -135.015 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -150.616 flat angles P-C4'-P energy: -97.507 tors. eta vs tors. theta energy: -198.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2125.311439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.311439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.311439 (E_RNA) where: Base-Base interactions energy: -1444.711 where: short stacking energy: -599.226 Base-Backbone interact. energy: -5.100 local terms energy: -675.500723 where: bonds (distance) C4'-P energy: -112.272 bonds (distance) P-C4' energy: -151.643 flat angles C4'-P-C4' energy: -158.181 flat angles P-C4'-P energy: -85.770 tors. eta vs tors. theta energy: -167.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1874.449878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.449878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.449878 (E_RNA) where: Base-Base interactions energy: -1221.327 where: short stacking energy: -555.830 Base-Backbone interact. energy: -4.245 local terms energy: -648.878008 where: bonds (distance) C4'-P energy: -131.506 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -140.270 flat angles P-C4'-P energy: -87.839 tors. eta vs tors. theta energy: -144.161 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: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1658.603779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.603779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.603779 (E_RNA) where: Base-Base interactions energy: -1099.123 where: short stacking energy: -474.287 Base-Backbone interact. energy: -1.296 local terms energy: -558.183990 where: bonds (distance) C4'-P energy: -127.498 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -89.146 tors. eta vs tors. theta energy: -96.826 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: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1066.746464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.746464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.746464 (E_RNA) where: Base-Base interactions energy: -580.699 where: short stacking energy: -286.582 Base-Backbone interact. energy: -3.571 local terms energy: -482.477214 where: bonds (distance) C4'-P energy: -128.785 bonds (distance) P-C4' energy: -133.277 flat angles C4'-P-C4' energy: -113.415 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -33.285 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: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -692.877214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.877214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.877214 (E_RNA) where: Base-Base interactions energy: -286.313 where: short stacking energy: -180.884 Base-Backbone interact. energy: -0.509 local terms energy: -406.055577 where: bonds (distance) C4'-P energy: -117.030 bonds (distance) P-C4' energy: -143.580 flat angles C4'-P-C4' energy: -107.091 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: 15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -637.394151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.394151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.394151 (E_RNA) where: Base-Base interactions energy: -255.903 where: short stacking energy: -186.869 Base-Backbone interact. energy: -3.082 local terms energy: -378.408788 where: bonds (distance) C4'-P energy: -100.045 bonds (distance) P-C4' energy: -121.996 flat angles C4'-P-C4' energy: -108.167 flat angles P-C4'-P energy: -60.749 tors. eta vs tors. theta energy: 12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2586.888217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.888217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.888217 (E_RNA) where: Base-Base interactions energy: -1794.631 where: short stacking energy: -758.684 Base-Backbone interact. energy: 3.251 local terms energy: -795.508286 where: bonds (distance) C4'-P energy: -139.398 bonds (distance) P-C4' energy: -150.772 flat angles C4'-P-C4' energy: -168.384 flat angles P-C4'-P energy: -115.682 tors. eta vs tors. theta energy: -221.272 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: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2546.086743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.086743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.086743 (E_RNA) where: Base-Base interactions energy: -1735.634 where: short stacking energy: -723.613 Base-Backbone interact. energy: -5.569 local terms energy: -804.884010 where: bonds (distance) C4'-P energy: -142.859 bonds (distance) P-C4' energy: -156.088 flat angles C4'-P-C4' energy: -175.786 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -233.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2367.777990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.777990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.777990 (E_RNA) where: Base-Base interactions energy: -1626.889 where: short stacking energy: -678.157 Base-Backbone interact. energy: -3.458 local terms energy: -737.431095 where: bonds (distance) C4'-P energy: -122.432 bonds (distance) P-C4' energy: -144.061 flat angles C4'-P-C4' energy: -152.267 flat angles P-C4'-P energy: -111.955 tors. eta vs tors. theta energy: -206.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2155.455026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.455026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.455026 (E_RNA) where: Base-Base interactions energy: -1433.099 where: short stacking energy: -620.771 Base-Backbone interact. energy: -2.879 local terms energy: -719.477704 where: bonds (distance) C4'-P energy: -128.645 bonds (distance) P-C4' energy: -137.119 flat angles C4'-P-C4' energy: -172.811 flat angles P-C4'-P energy: -94.662 tors. eta vs tors. theta energy: -186.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2163.496943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.496943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.496943 (E_RNA) where: Base-Base interactions energy: -1488.054 where: short stacking energy: -591.981 Base-Backbone interact. energy: -5.087 local terms energy: -670.356428 where: bonds (distance) C4'-P energy: -132.793 bonds (distance) P-C4' energy: -138.691 flat angles C4'-P-C4' energy: -144.549 flat angles P-C4'-P energy: -84.753 tors. eta vs tors. theta energy: -169.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1824.473213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.473213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.473213 (E_RNA) where: Base-Base interactions energy: -1190.056 where: short stacking energy: -547.469 Base-Backbone interact. energy: -1.965 local terms energy: -632.452856 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -139.751 flat angles C4'-P-C4' energy: -134.137 flat angles P-C4'-P energy: -90.527 tors. eta vs tors. theta energy: -148.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1652.490190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.490190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.490190 (E_RNA) where: Base-Base interactions energy: -1025.365 where: short stacking energy: -449.990 Base-Backbone interact. energy: -1.426 local terms energy: -625.698997 where: bonds (distance) C4'-P energy: -142.325 bonds (distance) P-C4' energy: -138.719 flat angles C4'-P-C4' energy: -122.827 flat angles P-C4'-P energy: -99.251 tors. eta vs tors. theta energy: -122.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1052.862870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.862870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.862870 (E_RNA) where: Base-Base interactions energy: -543.833 where: short stacking energy: -287.221 Base-Backbone interact. energy: -1.465 local terms energy: -507.564978 where: bonds (distance) C4'-P energy: -117.394 bonds (distance) P-C4' energy: -151.154 flat angles C4'-P-C4' energy: -122.366 flat angles P-C4'-P energy: -76.827 tors. eta vs tors. theta energy: -39.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -782.545418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.545418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.545418 (E_RNA) where: Base-Base interactions energy: -357.994 where: short stacking energy: -213.963 Base-Backbone interact. energy: -0.686 local terms energy: -423.866273 where: bonds (distance) C4'-P energy: -100.787 bonds (distance) P-C4' energy: -133.092 flat angles C4'-P-C4' energy: -109.756 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: 1.498 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: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -627.613374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.613374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.613374 (E_RNA) where: Base-Base interactions energy: -245.883 where: short stacking energy: -158.051 Base-Backbone interact. energy: 7.759 local terms energy: -389.488908 where: bonds (distance) C4'-P energy: -134.327 bonds (distance) P-C4' energy: -122.795 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -57.099 tors. eta vs tors. theta energy: 17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2604.836526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.836526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.836526 (E_RNA) where: Base-Base interactions energy: -1792.342 where: short stacking energy: -735.064 Base-Backbone interact. energy: -4.114 local terms energy: -808.380153 where: bonds (distance) C4'-P energy: -152.045 bonds (distance) P-C4' energy: -158.538 flat angles C4'-P-C4' energy: -165.574 flat angles P-C4'-P energy: -103.640 tors. eta vs tors. theta energy: -228.583 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: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2475.959695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.959695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.959695 (E_RNA) where: Base-Base interactions energy: -1679.340 where: short stacking energy: -707.740 Base-Backbone interact. energy: 0.296 local terms energy: -796.915602 where: bonds (distance) C4'-P energy: -153.491 bonds (distance) P-C4' energy: -145.903 flat angles C4'-P-C4' energy: -165.143 flat angles P-C4'-P energy: -115.814 tors. eta vs tors. theta energy: -216.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2435.489256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.489256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.489256 (E_RNA) where: Base-Base interactions energy: -1670.998 where: short stacking energy: -688.178 Base-Backbone interact. energy: 2.129 local terms energy: -766.620281 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -156.739 flat angles C4'-P-C4' energy: -162.229 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -211.683 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: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2180.004668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.004668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.004668 (E_RNA) where: Base-Base interactions energy: -1466.286 where: short stacking energy: -646.967 Base-Backbone interact. energy: -1.349 local terms energy: -712.369289 where: bonds (distance) C4'-P energy: -125.212 bonds (distance) P-C4' energy: -136.708 flat angles C4'-P-C4' energy: -153.786 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -191.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2176.914236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.914236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.914236 (E_RNA) where: Base-Base interactions energy: -1503.634 where: short stacking energy: -610.793 Base-Backbone interact. energy: -2.975 local terms energy: -670.305419 where: bonds (distance) C4'-P energy: -134.745 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -152.030 flat angles P-C4'-P energy: -82.414 tors. eta vs tors. theta energy: -173.081 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: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1840.223362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.223362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.223362 (E_RNA) where: Base-Base interactions energy: -1200.872 where: short stacking energy: -544.938 Base-Backbone interact. energy: 0.861 local terms energy: -640.212008 where: bonds (distance) C4'-P energy: -136.750 bonds (distance) P-C4' energy: -132.669 flat angles C4'-P-C4' energy: -149.644 flat angles P-C4'-P energy: -82.527 tors. eta vs tors. theta energy: -138.623 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: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1649.390773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.390773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.390773 (E_RNA) where: Base-Base interactions energy: -1032.123 where: short stacking energy: -447.524 Base-Backbone interact. energy: -2.520 local terms energy: -614.747076 where: bonds (distance) C4'-P energy: -127.147 bonds (distance) P-C4' energy: -141.634 flat angles C4'-P-C4' energy: -136.524 flat angles P-C4'-P energy: -97.493 tors. eta vs tors. theta energy: -111.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1020.837537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.837537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.837537 (E_RNA) where: Base-Base interactions energy: -553.679 where: short stacking energy: -307.747 Base-Backbone interact. energy: -3.070 local terms energy: -464.087818 where: bonds (distance) C4'-P energy: -121.918 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -47.437 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -751.573857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.573857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.573857 (E_RNA) where: Base-Base interactions energy: -311.733 where: short stacking energy: -187.269 Base-Backbone interact. energy: -1.124 local terms energy: -438.716958 where: bonds (distance) C4'-P energy: -131.871 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: 4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -604.445899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.445899 (E_RNA) where: Base-Base interactions energy: -238.108 where: short stacking energy: -170.068 Base-Backbone interact. energy: -1.986 local terms energy: -364.351671 where: bonds (distance) C4'-P energy: -119.191 bonds (distance) P-C4' energy: -117.543 flat angles C4'-P-C4' energy: -87.375 flat angles P-C4'-P energy: -61.145 tors. eta vs tors. theta energy: 20.902 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: 287 Temperature: 0.900000 Total energy: -2636.815271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.815271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.815271 (E_RNA) where: Base-Base interactions energy: -1798.188 where: short stacking energy: -758.973 Base-Backbone interact. energy: 4.356 local terms energy: -842.983432 where: bonds (distance) C4'-P energy: -152.980 bonds (distance) P-C4' energy: -171.487 flat angles C4'-P-C4' energy: -166.435 flat angles P-C4'-P energy: -121.513 tors. eta vs tors. theta energy: -230.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2540.637555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.637555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.637555 (E_RNA) where: Base-Base interactions energy: -1722.831 where: short stacking energy: -725.445 Base-Backbone interact. energy: -2.832 local terms energy: -814.975263 where: bonds (distance) C4'-P energy: -149.528 bonds (distance) P-C4' energy: -147.598 flat angles C4'-P-C4' energy: -167.788 flat angles P-C4'-P energy: -114.834 tors. eta vs tors. theta energy: -235.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2389.318792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.318792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.318792 (E_RNA) where: Base-Base interactions energy: -1642.685 where: short stacking energy: -691.776 Base-Backbone interact. energy: -0.167 local terms energy: -746.466604 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -118.690 flat angles C4'-P-C4' energy: -149.424 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -218.959 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: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2253.984279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.984279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.984279 (E_RNA) where: Base-Base interactions energy: -1559.525 where: short stacking energy: -632.291 Base-Backbone interact. energy: -0.690 local terms energy: -693.769341 where: bonds (distance) C4'-P energy: -131.522 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -157.147 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -165.411 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: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2095.350627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.350627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.350627 (E_RNA) where: Base-Base interactions energy: -1417.402 where: short stacking energy: -596.030 Base-Backbone interact. energy: -2.863 local terms energy: -675.085675 where: bonds (distance) C4'-P energy: -114.222 bonds (distance) P-C4' energy: -132.443 flat angles C4'-P-C4' energy: -156.998 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -171.860 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: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1865.855598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.855598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.855598 (E_RNA) where: Base-Base interactions energy: -1230.140 where: short stacking energy: -514.739 Base-Backbone interact. energy: -2.726 local terms energy: -632.989414 where: bonds (distance) C4'-P energy: -133.691 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -154.114 flat angles P-C4'-P energy: -103.447 tors. eta vs tors. theta energy: -126.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1678.872404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.872404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.872404 (E_RNA) where: Base-Base interactions energy: -1071.998 where: short stacking energy: -456.234 Base-Backbone interact. energy: -0.322 local terms energy: -606.552110 where: bonds (distance) C4'-P energy: -122.946 bonds (distance) P-C4' energy: -137.948 flat angles C4'-P-C4' energy: -149.501 flat angles P-C4'-P energy: -93.065 tors. eta vs tors. theta energy: -103.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1036.748145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.748145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.748145 (E_RNA) where: Base-Base interactions energy: -595.739 where: short stacking energy: -311.717 Base-Backbone interact. energy: -2.329 local terms energy: -438.680964 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -118.082 flat angles C4'-P-C4' energy: -102.056 flat angles P-C4'-P energy: -69.480 tors. eta vs tors. theta energy: -34.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -691.290715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.290715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.290715 (E_RNA) where: Base-Base interactions energy: -297.854 where: short stacking energy: -183.183 Base-Backbone interact. energy: -3.027 local terms energy: -390.409089 where: bonds (distance) C4'-P energy: -136.590 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -95.491 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: 34.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -633.180866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.180866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.180866 (E_RNA) where: Base-Base interactions energy: -254.472 where: short stacking energy: -178.041 Base-Backbone interact. energy: -1.830 local terms energy: -376.878585 where: bonds (distance) C4'-P energy: -112.879 bonds (distance) P-C4' energy: -118.139 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -56.727 tors. eta vs tors. theta energy: 15.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2625.124944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.124944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.124944 (E_RNA) where: Base-Base interactions energy: -1798.693 where: short stacking energy: -777.390 Base-Backbone interact. energy: -1.245 local terms energy: -825.187011 where: bonds (distance) C4'-P energy: -130.744 bonds (distance) P-C4' energy: -152.705 flat angles C4'-P-C4' energy: -179.889 flat angles P-C4'-P energy: -123.632 tors. eta vs tors. theta energy: -238.217 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: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2496.569438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.569438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.569438 (E_RNA) where: Base-Base interactions energy: -1717.983 where: short stacking energy: -719.649 Base-Backbone interact. energy: -2.524 local terms energy: -776.062440 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -133.742 flat angles C4'-P-C4' energy: -172.373 flat angles P-C4'-P energy: -107.778 tors. eta vs tors. theta energy: -226.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2401.478137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.478137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.478137 (E_RNA) where: Base-Base interactions energy: -1631.779 where: short stacking energy: -714.039 Base-Backbone interact. energy: -0.854 local terms energy: -768.844554 where: bonds (distance) C4'-P energy: -128.307 bonds (distance) P-C4' energy: -149.506 flat angles C4'-P-C4' energy: -163.268 flat angles P-C4'-P energy: -110.348 tors. eta vs tors. theta energy: -217.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2314.016506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.016506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.016506 (E_RNA) where: Base-Base interactions energy: -1575.540 where: short stacking energy: -653.715 Base-Backbone interact. energy: -3.636 local terms energy: -734.841135 where: bonds (distance) C4'-P energy: -144.265 bonds (distance) P-C4' energy: -149.173 flat angles C4'-P-C4' energy: -152.541 flat angles P-C4'-P energy: -99.964 tors. eta vs tors. theta energy: -188.897 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2015.168339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.168339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.168339 (E_RNA) where: Base-Base interactions energy: -1319.655 where: short stacking energy: -561.665 Base-Backbone interact. energy: -2.220 local terms energy: -693.293804 where: bonds (distance) C4'-P energy: -144.417 bonds (distance) P-C4' energy: -124.883 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -105.541 tors. eta vs tors. theta energy: -175.348 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: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1834.205773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.205773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.205773 (E_RNA) where: Base-Base interactions energy: -1216.258 where: short stacking energy: -500.097 Base-Backbone interact. energy: 2.450 local terms energy: -620.397329 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -121.870 flat angles P-C4'-P energy: -94.272 tors. eta vs tors. theta energy: -131.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1700.114766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.114766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.114766 (E_RNA) where: Base-Base interactions energy: -1103.716 where: short stacking energy: -493.452 Base-Backbone interact. energy: -3.256 local terms energy: -593.143070 where: bonds (distance) C4'-P energy: -123.427 bonds (distance) P-C4' energy: -120.033 flat angles C4'-P-C4' energy: -139.708 flat angles P-C4'-P energy: -91.811 tors. eta vs tors. theta energy: -118.164 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: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1135.373127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.373127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.373127 (E_RNA) where: Base-Base interactions energy: -636.643 where: short stacking energy: -301.703 Base-Backbone interact. energy: -0.917 local terms energy: -497.813743 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -122.303 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -46.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -700.493718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.493718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.493718 (E_RNA) where: Base-Base interactions energy: -302.901 where: short stacking energy: -187.875 Base-Backbone interact. energy: 11.091 local terms energy: -408.684349 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -96.930 flat angles P-C4'-P energy: -76.413 tors. eta vs tors. theta energy: 18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -634.808912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.808912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.808912 (E_RNA) where: Base-Base interactions energy: -264.644 where: short stacking energy: -206.263 Base-Backbone interact. energy: 2.110 local terms energy: -372.274643 where: bonds (distance) C4'-P energy: -108.971 bonds (distance) P-C4' energy: -108.846 flat angles C4'-P-C4' energy: -99.781 flat angles P-C4'-P energy: -57.304 tors. eta vs tors. theta energy: 2.628 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: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2598.762948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.762948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.762948 (E_RNA) where: Base-Base interactions energy: -1782.911 where: short stacking energy: -761.286 Base-Backbone interact. energy: 0.259 local terms energy: -816.110929 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -145.767 flat angles C4'-P-C4' energy: -167.280 flat angles P-C4'-P energy: -128.948 tors. eta vs tors. theta energy: -232.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2531.607505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.607505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.607505 (E_RNA) where: Base-Base interactions energy: -1703.079 where: short stacking energy: -732.551 Base-Backbone interact. energy: -1.635 local terms energy: -826.894386 where: bonds (distance) C4'-P energy: -167.608 bonds (distance) P-C4' energy: -158.822 flat angles C4'-P-C4' energy: -178.065 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -217.160 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: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2348.151587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.151587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.151587 (E_RNA) where: Base-Base interactions energy: -1608.777 where: short stacking energy: -688.764 Base-Backbone interact. energy: 0.038 local terms energy: -739.413479 where: bonds (distance) C4'-P energy: -136.964 bonds (distance) P-C4' energy: -136.348 flat angles C4'-P-C4' energy: -162.667 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -206.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2315.263754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.263754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.263754 (E_RNA) where: Base-Base interactions energy: -1571.198 where: short stacking energy: -618.490 Base-Backbone interact. energy: -4.974 local terms energy: -739.092491 where: bonds (distance) C4'-P energy: -141.838 bonds (distance) P-C4' energy: -152.351 flat angles C4'-P-C4' energy: -151.780 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -182.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1999.489240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.489240 (E_RNA) where: Base-Base interactions energy: -1318.163 where: short stacking energy: -590.040 Base-Backbone interact. energy: -3.315 local terms energy: -678.010952 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -165.216 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -168.491 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: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1882.985686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.985686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.985686 (E_RNA) where: Base-Base interactions energy: -1252.631 where: short stacking energy: -553.329 Base-Backbone interact. energy: 3.090 local terms energy: -633.444110 where: bonds (distance) C4'-P energy: -134.090 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -127.527 flat angles P-C4'-P energy: -107.149 tors. eta vs tors. theta energy: -150.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1592.417918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.417918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.417918 (E_RNA) where: Base-Base interactions energy: -1012.163 where: short stacking energy: -421.767 Base-Backbone interact. energy: -1.796 local terms energy: -578.459093 where: bonds (distance) C4'-P energy: -138.709 bonds (distance) P-C4' energy: -127.749 flat angles C4'-P-C4' energy: -135.683 flat angles P-C4'-P energy: -87.742 tors. eta vs tors. theta energy: -88.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1116.358647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.358647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.358647 (E_RNA) where: Base-Base interactions energy: -626.211 where: short stacking energy: -326.002 Base-Backbone interact. energy: 8.863 local terms energy: -499.011177 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -120.983 flat angles C4'-P-C4' energy: -134.783 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -48.212 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: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -697.075115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.075115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.075115 (E_RNA) where: Base-Base interactions energy: -272.269 where: short stacking energy: -183.670 Base-Backbone interact. energy: -0.163 local terms energy: -424.642399 where: bonds (distance) C4'-P energy: -133.370 bonds (distance) P-C4' energy: -131.367 flat angles C4'-P-C4' energy: -108.033 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: 6.391 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: 289 Temperature: 1.350000 Total energy: -631.474049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.474049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.474049 (E_RNA) where: Base-Base interactions energy: -261.532 where: short stacking energy: -155.503 Base-Backbone interact. energy: 0.913 local terms energy: -370.855201 where: bonds (distance) C4'-P energy: -120.924 bonds (distance) P-C4' energy: -134.314 flat angles C4'-P-C4' energy: -99.058 flat angles P-C4'-P energy: -55.763 tors. eta vs tors. theta energy: 39.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2600.402609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.402609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.402609 (E_RNA) where: Base-Base interactions energy: -1785.476 where: short stacking energy: -759.139 Base-Backbone interact. energy: -3.343 local terms energy: -811.583461 where: bonds (distance) C4'-P energy: -153.856 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -163.726 flat angles P-C4'-P energy: -111.707 tors. eta vs tors. theta energy: -237.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2558.087930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.087930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.087930 (E_RNA) where: Base-Base interactions energy: -1753.301 where: short stacking energy: -739.631 Base-Backbone interact. energy: 0.527 local terms energy: -805.313890 where: bonds (distance) C4'-P energy: -138.202 bonds (distance) P-C4' energy: -142.427 flat angles C4'-P-C4' energy: -172.531 flat angles P-C4'-P energy: -118.323 tors. eta vs tors. theta energy: -233.831 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: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2359.723518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.723518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.723518 (E_RNA) where: Base-Base interactions energy: -1570.672 where: short stacking energy: -675.698 Base-Backbone interact. energy: -2.281 local terms energy: -786.770440 where: bonds (distance) C4'-P energy: -145.116 bonds (distance) P-C4' energy: -163.277 flat angles C4'-P-C4' energy: -166.078 flat angles P-C4'-P energy: -100.316 tors. eta vs tors. theta energy: -211.982 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: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2272.120545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.120545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.120545 (E_RNA) where: Base-Base interactions energy: -1538.986 where: short stacking energy: -633.291 Base-Backbone interact. energy: -3.550 local terms energy: -729.584564 where: bonds (distance) C4'-P energy: -137.824 bonds (distance) P-C4' energy: -145.979 flat angles C4'-P-C4' energy: -156.791 flat angles P-C4'-P energy: -99.463 tors. eta vs tors. theta energy: -189.528 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: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2036.097860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.097860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.097860 (E_RNA) where: Base-Base interactions energy: -1348.420 where: short stacking energy: -600.206 Base-Backbone interact. energy: -3.927 local terms energy: -683.750691 where: bonds (distance) C4'-P energy: -145.075 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -136.835 flat angles P-C4'-P energy: -93.839 tors. eta vs tors. theta energy: -175.671 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: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1925.832154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.832154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.832154 (E_RNA) where: Base-Base interactions energy: -1293.295 where: short stacking energy: -574.849 Base-Backbone interact. energy: 2.059 local terms energy: -634.596150 where: bonds (distance) C4'-P energy: -129.478 bonds (distance) P-C4' energy: -119.007 flat angles C4'-P-C4' energy: -135.435 flat angles P-C4'-P energy: -95.572 tors. eta vs tors. theta energy: -155.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1600.455039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.455039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.455039 (E_RNA) where: Base-Base interactions energy: -1017.710 where: short stacking energy: -464.892 Base-Backbone interact. energy: -3.550 local terms energy: -579.194249 where: bonds (distance) C4'-P energy: -137.075 bonds (distance) P-C4' energy: -131.504 flat angles C4'-P-C4' energy: -128.776 flat angles P-C4'-P energy: -74.289 tors. eta vs tors. theta energy: -107.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1115.280552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.280552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.280552 (E_RNA) where: Base-Base interactions energy: -615.711 where: short stacking energy: -301.607 Base-Backbone interact. energy: -0.630 local terms energy: -498.939027 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -137.968 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -34.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -715.421029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.421029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.421029 (E_RNA) where: Base-Base interactions energy: -325.967 where: short stacking energy: -200.703 Base-Backbone interact. energy: 0.886 local terms energy: -390.340223 where: bonds (distance) C4'-P energy: -128.458 bonds (distance) P-C4' energy: -121.178 flat angles C4'-P-C4' energy: -94.685 flat angles P-C4'-P energy: -61.819 tors. eta vs tors. theta energy: 15.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -588.326246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.326246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.326246 (E_RNA) where: Base-Base interactions energy: -238.718 where: short stacking energy: -144.057 Base-Backbone interact. energy: 0.559 local terms energy: -350.166605 where: bonds (distance) C4'-P energy: -115.348 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: 45.529 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: 291 Temperature: 0.900000 Total energy: -2618.237919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.237919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.237919 (E_RNA) where: Base-Base interactions energy: -1788.376 where: short stacking energy: -748.284 Base-Backbone interact. energy: -2.798 local terms energy: -827.064818 where: bonds (distance) C4'-P energy: -148.795 bonds (distance) P-C4' energy: -150.715 flat angles C4'-P-C4' energy: -171.075 flat angles P-C4'-P energy: -127.383 tors. eta vs tors. theta energy: -229.096 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: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2544.294234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.294234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.294234 (E_RNA) where: Base-Base interactions energy: -1745.890 where: short stacking energy: -720.169 Base-Backbone interact. energy: -5.074 local terms energy: -793.330233 where: bonds (distance) C4'-P energy: -148.792 bonds (distance) P-C4' energy: -159.710 flat angles C4'-P-C4' energy: -158.382 flat angles P-C4'-P energy: -98.266 tors. eta vs tors. theta energy: -228.180 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: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2389.534151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.534151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.534151 (E_RNA) where: Base-Base interactions energy: -1623.377 where: short stacking energy: -684.593 Base-Backbone interact. energy: -2.011 local terms energy: -764.145874 where: bonds (distance) C4'-P energy: -128.229 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -164.708 flat angles P-C4'-P energy: -97.038 tors. eta vs tors. theta energy: -217.431 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: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2265.520319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.520319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.520319 (E_RNA) where: Base-Base interactions energy: -1536.469 where: short stacking energy: -642.874 Base-Backbone interact. energy: 4.298 local terms energy: -733.349282 where: bonds (distance) C4'-P energy: -144.143 bonds (distance) P-C4' energy: -143.913 flat angles C4'-P-C4' energy: -153.569 flat angles P-C4'-P energy: -94.688 tors. eta vs tors. theta energy: -197.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2017.092350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.092350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.092350 (E_RNA) where: Base-Base interactions energy: -1332.472 where: short stacking energy: -579.182 Base-Backbone interact. energy: -1.121 local terms energy: -683.499282 where: bonds (distance) C4'-P energy: -139.008 bonds (distance) P-C4' energy: -143.701 flat angles C4'-P-C4' energy: -140.794 flat angles P-C4'-P energy: -96.905 tors. eta vs tors. theta energy: -163.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1879.443392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.443392 (E_RNA) where: Base-Base interactions energy: -1199.276 where: short stacking energy: -524.097 Base-Backbone interact. energy: -2.464 local terms energy: -677.703900 where: bonds (distance) C4'-P energy: -151.888 bonds (distance) P-C4' energy: -144.082 flat angles C4'-P-C4' energy: -136.353 flat angles P-C4'-P energy: -104.741 tors. eta vs tors. theta energy: -140.640 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: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1615.743974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.743974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.743974 (E_RNA) where: Base-Base interactions energy: -1037.594 where: short stacking energy: -457.452 Base-Backbone interact. energy: -2.518 local terms energy: -575.632228 where: bonds (distance) C4'-P energy: -123.221 bonds (distance) P-C4' energy: -150.886 flat angles C4'-P-C4' energy: -123.256 flat angles P-C4'-P energy: -77.380 tors. eta vs tors. theta energy: -100.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1080.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.514655 (E_RNA) where: Base-Base interactions energy: -606.199 where: short stacking energy: -290.249 Base-Backbone interact. energy: -1.310 local terms energy: -473.006057 where: bonds (distance) C4'-P energy: -116.168 bonds (distance) P-C4' energy: -136.444 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -23.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -702.218360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.218360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.218360 (E_RNA) where: Base-Base interactions energy: -303.882 where: short stacking energy: -165.051 Base-Backbone interact. energy: 2.494 local terms energy: -400.829845 where: bonds (distance) C4'-P energy: -119.548 bonds (distance) P-C4' energy: -120.126 flat angles C4'-P-C4' energy: -117.359 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: 29.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -539.757484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.757484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.757484 (E_RNA) where: Base-Base interactions energy: -219.187 where: short stacking energy: -168.793 Base-Backbone interact. energy: 12.027 local terms energy: -332.597654 where: bonds (distance) C4'-P energy: -88.678 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -93.740 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: 43.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2641.956346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.956346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.956346 (E_RNA) where: Base-Base interactions energy: -1800.117 where: short stacking energy: -765.837 Base-Backbone interact. energy: -0.930 local terms energy: -840.908593 where: bonds (distance) C4'-P energy: -141.474 bonds (distance) P-C4' energy: -165.618 flat angles C4'-P-C4' energy: -177.975 flat angles P-C4'-P energy: -113.880 tors. eta vs tors. theta energy: -241.962 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: 292 Temperature: 0.950000 Total energy: -2569.224116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.224116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.224116 (E_RNA) where: Base-Base interactions energy: -1746.593 where: short stacking energy: -722.089 Base-Backbone interact. energy: -3.553 local terms energy: -819.078086 where: bonds (distance) C4'-P energy: -161.013 bonds (distance) P-C4' energy: -147.907 flat angles C4'-P-C4' energy: -178.192 flat angles P-C4'-P energy: -112.294 tors. eta vs tors. theta energy: -219.672 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: 292 Temperature: 1.000000 Total energy: -2351.832674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.832674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.832674 (E_RNA) where: Base-Base interactions energy: -1637.793 where: short stacking energy: -691.310 Base-Backbone interact. energy: -0.189 local terms energy: -713.851197 where: bonds (distance) C4'-P energy: -128.301 bonds (distance) P-C4' energy: -133.957 flat angles C4'-P-C4' energy: -159.962 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -188.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2249.037139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.037139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.037139 (E_RNA) where: Base-Base interactions energy: -1558.482 where: short stacking energy: -632.242 Base-Backbone interact. energy: 2.653 local terms energy: -693.209093 where: bonds (distance) C4'-P energy: -137.145 bonds (distance) P-C4' energy: -141.926 flat angles C4'-P-C4' energy: -143.528 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -180.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2047.860643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.860643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.860643 (E_RNA) where: Base-Base interactions energy: -1355.711 where: short stacking energy: -592.450 Base-Backbone interact. energy: 2.228 local terms energy: -694.377991 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -143.301 flat angles C4'-P-C4' energy: -143.056 flat angles P-C4'-P energy: -91.199 tors. eta vs tors. theta energy: -169.376 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: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1932.383494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.383494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.383494 (E_RNA) where: Base-Base interactions energy: -1250.384 where: short stacking energy: -548.312 Base-Backbone interact. energy: -1.002 local terms energy: -680.997371 where: bonds (distance) C4'-P energy: -134.439 bonds (distance) P-C4' energy: -121.419 flat angles C4'-P-C4' energy: -163.458 flat angles P-C4'-P energy: -105.684 tors. eta vs tors. theta energy: -155.997 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: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1612.441766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.441766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.441766 (E_RNA) where: Base-Base interactions energy: -1021.400 where: short stacking energy: -443.134 Base-Backbone interact. energy: 4.023 local terms energy: -595.065003 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -153.071 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -74.326 tors. eta vs tors. theta energy: -96.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1146.032704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.032704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.032704 (E_RNA) where: Base-Base interactions energy: -662.244 where: short stacking energy: -324.439 Base-Backbone interact. energy: -4.621 local terms energy: -479.168159 where: bonds (distance) C4'-P energy: -127.102 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -109.747 flat angles P-C4'-P energy: -60.226 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: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -683.273825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.273825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.273825 (E_RNA) where: Base-Base interactions energy: -267.273 where: short stacking energy: -172.169 Base-Backbone interact. energy: -2.254 local terms energy: -413.746693 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -127.914 flat angles P-C4'-P energy: -64.301 tors. eta vs tors. theta energy: 19.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -576.353037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.353037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.353037 (E_RNA) where: Base-Base interactions energy: -222.976 where: short stacking energy: -129.882 Base-Backbone interact. energy: -3.514 local terms energy: -349.863401 where: bonds (distance) C4'-P energy: -120.142 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -95.819 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: 29.070 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: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2635.867650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.867650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.867650 (E_RNA) where: Base-Base interactions energy: -1808.954 where: short stacking energy: -768.703 Base-Backbone interact. energy: -2.886 local terms energy: -824.027303 where: bonds (distance) C4'-P energy: -150.963 bonds (distance) P-C4' energy: -156.282 flat angles C4'-P-C4' energy: -168.892 flat angles P-C4'-P energy: -113.426 tors. eta vs tors. theta energy: -234.464 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: 293 Temperature: 0.950000 Total energy: -2555.625171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.625171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.625171 (E_RNA) where: Base-Base interactions energy: -1734.969 where: short stacking energy: -730.184 Base-Backbone interact. energy: -5.524 local terms energy: -815.132428 where: bonds (distance) C4'-P energy: -153.816 bonds (distance) P-C4' energy: -162.659 flat angles C4'-P-C4' energy: -170.368 flat angles P-C4'-P energy: -102.818 tors. eta vs tors. theta energy: -225.472 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2396.019397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.019397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.019397 (E_RNA) where: Base-Base interactions energy: -1625.627 where: short stacking energy: -675.614 Base-Backbone interact. energy: -1.127 local terms energy: -769.265265 where: bonds (distance) C4'-P energy: -146.249 bonds (distance) P-C4' energy: -140.456 flat angles C4'-P-C4' energy: -167.772 flat angles P-C4'-P energy: -106.460 tors. eta vs tors. theta energy: -208.328 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: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2238.283944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.283944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.283944 (E_RNA) where: Base-Base interactions energy: -1550.584 where: short stacking energy: -649.778 Base-Backbone interact. energy: -5.144 local terms energy: -682.556382 where: bonds (distance) C4'-P energy: -121.084 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -140.611 flat angles P-C4'-P energy: -104.474 tors. eta vs tors. theta energy: -189.234 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: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2003.514510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.514510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.514510 (E_RNA) where: Base-Base interactions energy: -1293.671 where: short stacking energy: -567.934 Base-Backbone interact. energy: 1.500 local terms energy: -711.343003 where: bonds (distance) C4'-P energy: -144.859 bonds (distance) P-C4' energy: -148.707 flat angles C4'-P-C4' energy: -145.849 flat angles P-C4'-P energy: -108.967 tors. eta vs tors. theta energy: -162.961 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: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1886.551798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.551798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.551798 (E_RNA) where: Base-Base interactions energy: -1263.866 where: short stacking energy: -569.608 Base-Backbone interact. energy: -3.663 local terms energy: -619.023639 where: bonds (distance) C4'-P energy: -118.746 bonds (distance) P-C4' energy: -142.029 flat angles C4'-P-C4' energy: -129.568 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -148.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1668.707550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.707550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.707550 (E_RNA) where: Base-Base interactions energy: -1071.133 where: short stacking energy: -481.946 Base-Backbone interact. energy: -4.410 local terms energy: -593.164749 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -131.316 flat angles C4'-P-C4' energy: -137.830 flat angles P-C4'-P energy: -103.078 tors. eta vs tors. theta energy: -119.338 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: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1114.231644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.231644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.231644 (E_RNA) where: Base-Base interactions energy: -626.226 where: short stacking energy: -306.413 Base-Backbone interact. energy: 3.551 local terms energy: -491.556594 where: bonds (distance) C4'-P energy: -137.965 bonds (distance) P-C4' energy: -130.367 flat angles C4'-P-C4' energy: -120.370 flat angles P-C4'-P energy: -61.670 tors. eta vs tors. theta energy: -41.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -709.515348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.515348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.515348 (E_RNA) where: Base-Base interactions energy: -291.456 where: short stacking energy: -182.749 Base-Backbone interact. energy: 4.504 local terms energy: -422.563849 where: bonds (distance) C4'-P energy: -114.619 bonds (distance) P-C4' energy: -133.286 flat angles C4'-P-C4' energy: -126.045 flat angles P-C4'-P energy: -57.131 tors. eta vs tors. theta energy: 8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -611.589599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.589599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.589599 (E_RNA) where: Base-Base interactions energy: -264.034 where: short stacking energy: -193.195 Base-Backbone interact. energy: 6.010 local terms energy: -353.565767 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -122.088 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -61.534 tors. eta vs tors. theta energy: 11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2621.858917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.858917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.858917 (E_RNA) where: Base-Base interactions energy: -1797.104 where: short stacking energy: -763.313 Base-Backbone interact. energy: -1.565 local terms energy: -823.189179 where: bonds (distance) C4'-P energy: -143.310 bonds (distance) P-C4' energy: -151.624 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -123.331 tors. eta vs tors. theta energy: -236.497 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: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2540.086666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.086666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.086666 (E_RNA) where: Base-Base interactions energy: -1749.121 where: short stacking energy: -757.350 Base-Backbone interact. energy: 2.652 local terms energy: -793.617718 where: bonds (distance) C4'-P energy: -142.021 bonds (distance) P-C4' energy: -142.214 flat angles C4'-P-C4' energy: -168.855 flat angles P-C4'-P energy: -106.861 tors. eta vs tors. theta energy: -233.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2384.420356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.420356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.420356 (E_RNA) where: Base-Base interactions energy: -1647.898 where: short stacking energy: -672.438 Base-Backbone interact. energy: -0.976 local terms energy: -735.546189 where: bonds (distance) C4'-P energy: -129.872 bonds (distance) P-C4' energy: -153.637 flat angles C4'-P-C4' energy: -166.513 flat angles P-C4'-P energy: -93.236 tors. eta vs tors. theta energy: -192.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2205.154676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.154676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.154676 (E_RNA) where: Base-Base interactions energy: -1474.860 where: short stacking energy: -621.173 Base-Backbone interact. energy: -1.376 local terms energy: -728.919243 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -156.490 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -179.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2049.892549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.892549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.892549 (E_RNA) where: Base-Base interactions energy: -1364.364 where: short stacking energy: -602.480 Base-Backbone interact. energy: -4.081 local terms energy: -681.447234 where: bonds (distance) C4'-P energy: -113.961 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -149.514 flat angles P-C4'-P energy: -98.369 tors. eta vs tors. theta energy: -178.432 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: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1881.413450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.413450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.413450 (E_RNA) where: Base-Base interactions energy: -1218.328 where: short stacking energy: -531.996 Base-Backbone interact. energy: -4.085 local terms energy: -658.999908 where: bonds (distance) C4'-P energy: -146.987 bonds (distance) P-C4' energy: -134.744 flat angles C4'-P-C4' energy: -149.768 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -139.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1545.504560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.504560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.504560 (E_RNA) where: Base-Base interactions energy: -971.225 where: short stacking energy: -444.730 Base-Backbone interact. energy: -1.236 local terms energy: -573.043557 where: bonds (distance) C4'-P energy: -127.412 bonds (distance) P-C4' energy: -131.889 flat angles C4'-P-C4' energy: -136.077 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -98.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1054.419411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.419411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.419411 (E_RNA) where: Base-Base interactions energy: -591.387 where: short stacking energy: -304.422 Base-Backbone interact. energy: -0.027 local terms energy: -463.005662 where: bonds (distance) C4'-P energy: -136.113 bonds (distance) P-C4' energy: -113.531 flat angles C4'-P-C4' energy: -124.075 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -25.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -722.864406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.864406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.864406 (E_RNA) where: Base-Base interactions energy: -320.925 where: short stacking energy: -206.145 Base-Backbone interact. energy: 5.503 local terms energy: -407.442209 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -140.027 flat angles C4'-P-C4' energy: -98.990 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: 21.516 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: 294 Temperature: 1.350000 Total energy: -598.949778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.949778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.949778 (E_RNA) where: Base-Base interactions energy: -255.728 where: short stacking energy: -170.527 Base-Backbone interact. energy: 2.983 local terms energy: -346.205015 where: bonds (distance) C4'-P energy: -113.807 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -99.429 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: 16.433 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: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2654.427651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.427651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.427651 (E_RNA) where: Base-Base interactions energy: -1825.619 where: short stacking energy: -783.831 Base-Backbone interact. energy: -2.417 local terms energy: -826.391937 where: bonds (distance) C4'-P energy: -149.078 bonds (distance) P-C4' energy: -154.674 flat angles C4'-P-C4' energy: -174.444 flat angles P-C4'-P energy: -114.921 tors. eta vs tors. theta energy: -233.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2529.415231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.415231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.415231 (E_RNA) where: Base-Base interactions energy: -1733.093 where: short stacking energy: -730.962 Base-Backbone interact. energy: 0.325 local terms energy: -796.647645 where: bonds (distance) C4'-P energy: -146.413 bonds (distance) P-C4' energy: -139.832 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -113.559 tors. eta vs tors. theta energy: -236.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2424.669328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.669328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.669328 (E_RNA) where: Base-Base interactions energy: -1651.288 where: short stacking energy: -703.982 Base-Backbone interact. energy: -4.189 local terms energy: -769.192614 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -132.353 flat angles C4'-P-C4' energy: -173.644 flat angles P-C4'-P energy: -113.249 tors. eta vs tors. theta energy: -205.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2242.820708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.820708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.820708 (E_RNA) where: Base-Base interactions energy: -1520.900 where: short stacking energy: -639.541 Base-Backbone interact. energy: -3.075 local terms energy: -718.845720 where: bonds (distance) C4'-P energy: -139.418 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -157.588 flat angles P-C4'-P energy: -102.746 tors. eta vs tors. theta energy: -187.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2041.867862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.867862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.867862 (E_RNA) where: Base-Base interactions energy: -1355.073 where: short stacking energy: -600.504 Base-Backbone interact. energy: -1.215 local terms energy: -685.579788 where: bonds (distance) C4'-P energy: -127.826 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -147.490 flat angles P-C4'-P energy: -101.256 tors. eta vs tors. theta energy: -172.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1886.148579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.148579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.148579 (E_RNA) where: Base-Base interactions energy: -1272.636 where: short stacking energy: -553.082 Base-Backbone interact. energy: 3.639 local terms energy: -617.152064 where: bonds (distance) C4'-P energy: -105.495 bonds (distance) P-C4' energy: -127.031 flat angles C4'-P-C4' energy: -150.493 flat angles P-C4'-P energy: -95.659 tors. eta vs tors. theta energy: -138.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1605.594304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.594304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.594304 (E_RNA) where: Base-Base interactions energy: -1030.559 where: short stacking energy: -454.087 Base-Backbone interact. energy: -1.509 local terms energy: -573.526329 where: bonds (distance) C4'-P energy: -114.106 bonds (distance) P-C4' energy: -129.444 flat angles C4'-P-C4' energy: -141.332 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -99.959 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: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1154.636058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.636058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.636058 (E_RNA) where: Base-Base interactions energy: -679.945 where: short stacking energy: -332.579 Base-Backbone interact. energy: 1.661 local terms energy: -476.351909 where: bonds (distance) C4'-P energy: -136.811 bonds (distance) P-C4' energy: -125.500 flat angles C4'-P-C4' energy: -114.524 flat angles P-C4'-P energy: -61.703 tors. eta vs tors. theta energy: -37.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -755.249369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.249369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.249369 (E_RNA) where: Base-Base interactions energy: -318.020 where: short stacking energy: -216.728 Base-Backbone interact. energy: 2.152 local terms energy: -439.382062 where: bonds (distance) C4'-P energy: -141.075 bonds (distance) P-C4' energy: -121.173 flat angles C4'-P-C4' energy: -99.554 flat angles P-C4'-P energy: -68.573 tors. eta vs tors. theta energy: -9.007 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: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -577.615263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.615263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.615263 (E_RNA) where: Base-Base interactions energy: -205.809 where: short stacking energy: -141.268 Base-Backbone interact. energy: 3.238 local terms energy: -375.044762 where: bonds (distance) C4'-P energy: -132.270 bonds (distance) P-C4' energy: -127.613 flat angles C4'-P-C4' energy: -94.310 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: 49.048 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: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2623.908075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.908075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.908075 (E_RNA) where: Base-Base interactions energy: -1786.356 where: short stacking energy: -748.550 Base-Backbone interact. energy: -3.027 local terms energy: -834.525271 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -175.807 flat angles P-C4'-P energy: -104.082 tors. eta vs tors. theta energy: -243.204 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: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2507.840070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.840070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.840070 (E_RNA) where: Base-Base interactions energy: -1677.700 where: short stacking energy: -713.901 Base-Backbone interact. energy: -1.690 local terms energy: -828.449387 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -149.595 flat angles C4'-P-C4' energy: -183.336 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -219.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2409.892065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.892065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.892065 (E_RNA) where: Base-Base interactions energy: -1661.011 where: short stacking energy: -677.478 Base-Backbone interact. energy: 2.246 local terms energy: -751.127219 where: bonds (distance) C4'-P energy: -141.805 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -152.449 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -205.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2237.075695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.075695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.075695 (E_RNA) where: Base-Base interactions energy: -1508.000 where: short stacking energy: -631.624 Base-Backbone interact. energy: 2.642 local terms energy: -731.717909 where: bonds (distance) C4'-P energy: -134.933 bonds (distance) P-C4' energy: -144.220 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -98.378 tors. eta vs tors. theta energy: -180.855 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: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1984.053831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.053831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.053831 (E_RNA) where: Base-Base interactions energy: -1321.366 where: short stacking energy: -569.904 Base-Backbone interact. energy: -3.981 local terms energy: -658.707048 where: bonds (distance) C4'-P energy: -124.503 bonds (distance) P-C4' energy: -145.039 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -112.076 tors. eta vs tors. theta energy: -133.352 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: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2027.397025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.397025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.397025 (E_RNA) where: Base-Base interactions energy: -1381.230 where: short stacking energy: -577.578 Base-Backbone interact. energy: -2.389 local terms energy: -643.778855 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -152.518 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -165.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1688.416752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.416752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.416752 (E_RNA) where: Base-Base interactions energy: -1088.105 where: short stacking energy: -478.102 Base-Backbone interact. energy: -1.038 local terms energy: -599.274409 where: bonds (distance) C4'-P energy: -122.189 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -90.233 tors. eta vs tors. theta energy: -115.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1105.460401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.460401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.460401 (E_RNA) where: Base-Base interactions energy: -623.733 where: short stacking energy: -318.277 Base-Backbone interact. energy: 2.113 local terms energy: -483.840606 where: bonds (distance) C4'-P energy: -139.550 bonds (distance) P-C4' energy: -128.902 flat angles C4'-P-C4' energy: -124.516 flat angles P-C4'-P energy: -61.944 tors. eta vs tors. theta energy: -28.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -698.901908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.901908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.901908 (E_RNA) where: Base-Base interactions energy: -258.033 where: short stacking energy: -173.807 Base-Backbone interact. energy: 0.244 local terms energy: -441.112408 where: bonds (distance) C4'-P energy: -133.517 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -6.625 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: 296 Temperature: 1.350000 Total energy: -636.309672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.309672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.309672 (E_RNA) where: Base-Base interactions energy: -269.682 where: short stacking energy: -208.408 Base-Backbone interact. energy: -0.613 local terms energy: -366.015067 where: bonds (distance) C4'-P energy: -102.961 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -104.581 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2606.149643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.149643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.149643 (E_RNA) where: Base-Base interactions energy: -1794.209 where: short stacking energy: -739.567 Base-Backbone interact. energy: -0.750 local terms energy: -811.190229 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -137.774 flat angles C4'-P-C4' energy: -176.306 flat angles P-C4'-P energy: -124.699 tors. eta vs tors. theta energy: -227.351 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: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2550.981865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.981865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.981865 (E_RNA) where: Base-Base interactions energy: -1749.640 where: short stacking energy: -740.481 Base-Backbone interact. energy: -4.284 local terms energy: -797.058561 where: bonds (distance) C4'-P energy: -134.690 bonds (distance) P-C4' energy: -155.267 flat angles C4'-P-C4' energy: -175.047 flat angles P-C4'-P energy: -106.949 tors. eta vs tors. theta energy: -225.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2397.188960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.188960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.188960 (E_RNA) where: Base-Base interactions energy: -1657.103 where: short stacking energy: -685.772 Base-Backbone interact. energy: -3.141 local terms energy: -736.944944 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -145.276 flat angles C4'-P-C4' energy: -158.969 flat angles P-C4'-P energy: -89.597 tors. eta vs tors. theta energy: -205.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2244.765889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.765889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.765889 (E_RNA) where: Base-Base interactions energy: -1544.709 where: short stacking energy: -633.939 Base-Backbone interact. energy: -2.217 local terms energy: -697.839723 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -152.929 flat angles P-C4'-P energy: -95.346 tors. eta vs tors. theta energy: -185.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1954.011267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.011267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.011267 (E_RNA) where: Base-Base interactions energy: -1256.157 where: short stacking energy: -540.982 Base-Backbone interact. energy: -2.416 local terms energy: -695.437763 where: bonds (distance) C4'-P energy: -147.160 bonds (distance) P-C4' energy: -151.026 flat angles C4'-P-C4' energy: -145.853 flat angles P-C4'-P energy: -98.800 tors. eta vs tors. theta energy: -152.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2013.255985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.255985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.255985 (E_RNA) where: Base-Base interactions energy: -1327.018 where: short stacking energy: -568.789 Base-Backbone interact. energy: -1.949 local terms energy: -684.289458 where: bonds (distance) C4'-P energy: -120.106 bonds (distance) P-C4' energy: -142.825 flat angles C4'-P-C4' energy: -138.983 flat angles P-C4'-P energy: -107.602 tors. eta vs tors. theta energy: -174.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1676.041284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.041284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.041284 (E_RNA) where: Base-Base interactions energy: -1084.950 where: short stacking energy: -525.214 Base-Backbone interact. energy: 1.998 local terms energy: -593.089430 where: bonds (distance) C4'-P energy: -133.015 bonds (distance) P-C4' energy: -96.737 flat angles C4'-P-C4' energy: -142.058 flat angles P-C4'-P energy: -79.258 tors. eta vs tors. theta energy: -142.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1128.976780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.976780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.976780 (E_RNA) where: Base-Base interactions energy: -663.292 where: short stacking energy: -311.164 Base-Backbone interact. energy: -0.345 local terms energy: -465.339385 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -118.979 flat angles C4'-P-C4' energy: -120.459 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -27.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -735.342675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.342675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.342675 (E_RNA) where: Base-Base interactions energy: -302.255 where: short stacking energy: -208.811 Base-Backbone interact. energy: 0.867 local terms energy: -433.955292 where: bonds (distance) C4'-P energy: -113.161 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -105.424 flat angles P-C4'-P energy: -65.522 tors. eta vs tors. theta energy: -11.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -611.214183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.214183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.214183 (E_RNA) where: Base-Base interactions energy: -250.207 where: short stacking energy: -158.093 Base-Backbone interact. energy: -1.046 local terms energy: -359.961410 where: bonds (distance) C4'-P energy: -111.090 bonds (distance) P-C4' energy: -130.321 flat angles C4'-P-C4' energy: -99.686 flat angles P-C4'-P energy: -59.518 tors. eta vs tors. theta energy: 40.653 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: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2588.882747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.882747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.882747 (E_RNA) where: Base-Base interactions energy: -1762.979 where: short stacking energy: -746.366 Base-Backbone interact. energy: -4.579 local terms energy: -821.324547 where: bonds (distance) C4'-P energy: -152.630 bonds (distance) P-C4' energy: -146.818 flat angles C4'-P-C4' energy: -179.765 flat angles P-C4'-P energy: -105.920 tors. eta vs tors. theta energy: -236.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2556.402000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.402000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.402000 (E_RNA) where: Base-Base interactions energy: -1756.958 where: short stacking energy: -742.475 Base-Backbone interact. energy: -0.972 local terms energy: -798.472356 where: bonds (distance) C4'-P energy: -153.358 bonds (distance) P-C4' energy: -152.227 flat angles C4'-P-C4' energy: -158.258 flat angles P-C4'-P energy: -104.355 tors. eta vs tors. theta energy: -230.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2399.072850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.072850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.072850 (E_RNA) where: Base-Base interactions energy: -1628.053 where: short stacking energy: -668.397 Base-Backbone interact. energy: -5.811 local terms energy: -765.208551 where: bonds (distance) C4'-P energy: -162.884 bonds (distance) P-C4' energy: -136.723 flat angles C4'-P-C4' energy: -160.955 flat angles P-C4'-P energy: -99.657 tors. eta vs tors. theta energy: -204.991 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: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2232.209981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.209981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.209981 (E_RNA) where: Base-Base interactions energy: -1522.891 where: short stacking energy: -628.776 Base-Backbone interact. energy: -3.953 local terms energy: -705.366381 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -142.135 flat angles C4'-P-C4' energy: -154.578 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -178.662 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: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2003.603779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.603779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.603779 (E_RNA) where: Base-Base interactions energy: -1302.762 where: short stacking energy: -590.083 Base-Backbone interact. energy: -2.395 local terms energy: -698.447247 where: bonds (distance) C4'-P energy: -132.801 bonds (distance) P-C4' energy: -121.815 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -104.832 tors. eta vs tors. theta energy: -180.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1958.608873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.608873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.608873 (E_RNA) where: Base-Base interactions energy: -1329.446 where: short stacking energy: -576.617 Base-Backbone interact. energy: -0.030 local terms energy: -629.132415 where: bonds (distance) C4'-P energy: -132.656 bonds (distance) P-C4' energy: -110.308 flat angles C4'-P-C4' energy: -147.125 flat angles P-C4'-P energy: -96.430 tors. eta vs tors. theta energy: -142.613 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: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1684.700155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.700155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.700155 (E_RNA) where: Base-Base interactions energy: -1129.776 where: short stacking energy: -491.554 Base-Backbone interact. energy: 1.875 local terms energy: -556.799410 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -146.386 flat angles C4'-P-C4' energy: -127.856 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: -110.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1120.798752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.798752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.798752 (E_RNA) where: Base-Base interactions energy: -637.217 where: short stacking energy: -282.169 Base-Backbone interact. energy: -2.321 local terms energy: -481.261061 where: bonds (distance) C4'-P energy: -108.964 bonds (distance) P-C4' energy: -145.325 flat angles C4'-P-C4' energy: -120.108 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -32.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -676.530852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.530852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.530852 (E_RNA) where: Base-Base interactions energy: -269.759 where: short stacking energy: -157.368 Base-Backbone interact. energy: 2.873 local terms energy: -409.645520 where: bonds (distance) C4'-P energy: -121.297 bonds (distance) P-C4' energy: -125.248 flat angles C4'-P-C4' energy: -121.411 flat angles P-C4'-P energy: -79.808 tors. eta vs tors. theta energy: 38.119 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -594.537862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.537862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.537862 (E_RNA) where: Base-Base interactions energy: -214.796 where: short stacking energy: -161.443 Base-Backbone interact. energy: 6.128 local terms energy: -385.869404 where: bonds (distance) C4'-P energy: -113.927 bonds (distance) P-C4' energy: -139.083 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: 37.592 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: 299 Temperature: 0.900000 Total energy: -2608.541184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.541184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.541184 (E_RNA) where: Base-Base interactions energy: -1775.055 where: short stacking energy: -757.210 Base-Backbone interact. energy: -4.798 local terms energy: -828.688432 where: bonds (distance) C4'-P energy: -148.058 bonds (distance) P-C4' energy: -153.684 flat angles C4'-P-C4' energy: -164.646 flat angles P-C4'-P energy: -122.919 tors. eta vs tors. theta energy: -239.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2538.284531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.284531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.284531 (E_RNA) where: Base-Base interactions energy: -1746.793 where: short stacking energy: -712.595 Base-Backbone interact. energy: -5.075 local terms energy: -786.416925 where: bonds (distance) C4'-P energy: -151.903 bonds (distance) P-C4' energy: -154.081 flat angles C4'-P-C4' energy: -162.168 flat angles P-C4'-P energy: -99.489 tors. eta vs tors. theta energy: -218.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2380.577163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.577163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.577163 (E_RNA) where: Base-Base interactions energy: -1621.480 where: short stacking energy: -680.525 Base-Backbone interact. energy: -1.817 local terms energy: -757.280887 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -160.807 flat angles P-C4'-P energy: -116.130 tors. eta vs tors. theta energy: -203.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2279.296596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.296596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.296596 (E_RNA) where: Base-Base interactions energy: -1564.450 where: short stacking energy: -650.369 Base-Backbone interact. energy: -1.446 local terms energy: -713.400500 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -141.819 flat angles C4'-P-C4' energy: -160.730 flat angles P-C4'-P energy: -101.218 tors. eta vs tors. theta energy: -176.388 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: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2063.899455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.899455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.899455 (E_RNA) where: Base-Base interactions energy: -1357.108 where: short stacking energy: -621.871 Base-Backbone interact. energy: -4.767 local terms energy: -702.023795 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -144.015 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -187.380 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: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1906.976143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.976143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.976143 (E_RNA) where: Base-Base interactions energy: -1282.541 where: short stacking energy: -537.889 Base-Backbone interact. energy: -1.308 local terms energy: -623.127661 where: bonds (distance) C4'-P energy: -146.698 bonds (distance) P-C4' energy: -130.272 flat angles C4'-P-C4' energy: -143.661 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -126.613 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: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1717.611667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.611667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.611667 (E_RNA) where: Base-Base interactions energy: -1155.197 where: short stacking energy: -518.476 Base-Backbone interact. energy: 2.997 local terms energy: -565.411887 where: bonds (distance) C4'-P energy: -112.539 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -131.057 flat angles P-C4'-P energy: -60.902 tors. eta vs tors. theta energy: -127.299 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: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1097.614110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.614110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.614110 (E_RNA) where: Base-Base interactions energy: -621.505 where: short stacking energy: -281.187 Base-Backbone interact. energy: -3.229 local terms energy: -472.880218 where: bonds (distance) C4'-P energy: -143.800 bonds (distance) P-C4' energy: -119.786 flat angles C4'-P-C4' energy: -123.149 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -22.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -700.888460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.888460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.888460 (E_RNA) where: Base-Base interactions energy: -291.379 where: short stacking energy: -168.719 Base-Backbone interact. energy: 1.173 local terms energy: -410.683031 where: bonds (distance) C4'-P energy: -124.654 bonds (distance) P-C4' energy: -136.598 flat angles C4'-P-C4' energy: -127.323 flat angles P-C4'-P energy: -56.999 tors. eta vs tors. theta energy: 34.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -551.636271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.636271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.636271 (E_RNA) where: Base-Base interactions energy: -204.455 where: short stacking energy: -166.260 Base-Backbone interact. energy: 6.469 local terms energy: -353.649783 where: bonds (distance) C4'-P energy: -99.767 bonds (distance) P-C4' energy: -140.290 flat angles C4'-P-C4' energy: -96.613 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: 22.268 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: 300 Temperature: 0.900000 Total energy: -2607.850528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.850528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.850528 (E_RNA) where: Base-Base interactions energy: -1786.948 where: short stacking energy: -754.082 Base-Backbone interact. energy: -7.221 local terms energy: -813.681364 where: bonds (distance) C4'-P energy: -147.100 bonds (distance) P-C4' energy: -143.842 flat angles C4'-P-C4' energy: -167.607 flat angles P-C4'-P energy: -118.030 tors. eta vs tors. theta energy: -237.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2510.551769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.551769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.551769 (E_RNA) where: Base-Base interactions energy: -1729.510 where: short stacking energy: -719.826 Base-Backbone interact. energy: -4.397 local terms energy: -776.644996 where: bonds (distance) C4'-P energy: -137.446 bonds (distance) P-C4' energy: -135.530 flat angles C4'-P-C4' energy: -166.606 flat angles P-C4'-P energy: -116.626 tors. eta vs tors. theta energy: -220.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2444.773727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.773727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.773727 (E_RNA) where: Base-Base interactions energy: -1655.026 where: short stacking energy: -709.353 Base-Backbone interact. energy: -2.560 local terms energy: -787.187432 where: bonds (distance) C4'-P energy: -135.216 bonds (distance) P-C4' energy: -152.035 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -203.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2226.144898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.144898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.144898 (E_RNA) where: Base-Base interactions energy: -1522.194 where: short stacking energy: -603.432 Base-Backbone interact. energy: 1.847 local terms energy: -705.797846 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -148.603 flat angles C4'-P-C4' energy: -156.150 flat angles P-C4'-P energy: -71.815 tors. eta vs tors. theta energy: -176.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2113.166550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.166550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.166550 (E_RNA) where: Base-Base interactions energy: -1403.353 where: short stacking energy: -650.853 Base-Backbone interact. energy: -0.136 local terms energy: -709.678138 where: bonds (distance) C4'-P energy: -137.592 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -146.335 flat angles P-C4'-P energy: -95.205 tors. eta vs tors. theta energy: -187.611 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: 6, replica: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1934.679660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.679660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.679660 (E_RNA) where: Base-Base interactions energy: -1304.402 where: short stacking energy: -557.404 Base-Backbone interact. energy: -1.035 local terms energy: -629.242255 where: bonds (distance) C4'-P energy: -128.931 bonds (distance) P-C4' energy: -129.728 flat angles C4'-P-C4' energy: -145.600 flat angles P-C4'-P energy: -100.758 tors. eta vs tors. theta energy: -124.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1795.496235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.496235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.496235 (E_RNA) where: Base-Base interactions energy: -1189.826 where: short stacking energy: -505.887 Base-Backbone interact. energy: 2.154 local terms energy: -607.824064 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -148.664 flat angles P-C4'-P energy: -68.371 tors. eta vs tors. theta energy: -126.749 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1102.605822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.605822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.605822 (E_RNA) where: Base-Base interactions energy: -572.910 where: short stacking energy: -300.235 Base-Backbone interact. energy: -3.830 local terms energy: -525.865324 where: bonds (distance) C4'-P energy: -137.913 bonds (distance) P-C4' energy: -139.246 flat angles C4'-P-C4' energy: -127.578 flat angles P-C4'-P energy: -86.880 tors. eta vs tors. theta energy: -34.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -720.671796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.671796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.671796 (E_RNA) where: Base-Base interactions energy: -308.561 where: short stacking energy: -202.371 Base-Backbone interact. energy: -2.167 local terms energy: -409.943597 where: bonds (distance) C4'-P energy: -126.795 bonds (distance) P-C4' energy: -115.844 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -70.327 tors. eta vs tors. theta energy: 10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -579.465093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.465093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.465093 (E_RNA) where: Base-Base interactions energy: -214.018 where: short stacking energy: -166.246 Base-Backbone interact. energy: 2.798 local terms energy: -368.244845 where: bonds (distance) C4'-P energy: -136.038 bonds (distance) P-C4' energy: -122.447 flat angles C4'-P-C4' energy: -79.353 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: 25.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2608.667173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.667173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.667173 (E_RNA) where: Base-Base interactions energy: -1782.715 where: short stacking energy: -763.709 Base-Backbone interact. energy: -3.139 local terms energy: -822.813045 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -152.303 flat angles C4'-P-C4' energy: -180.462 flat angles P-C4'-P energy: -106.663 tors. eta vs tors. theta energy: -228.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2525.090449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.090449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.090449 (E_RNA) where: Base-Base interactions energy: -1699.788 where: short stacking energy: -746.471 Base-Backbone interact. energy: -4.460 local terms energy: -820.842625 where: bonds (distance) C4'-P energy: -155.874 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -175.713 flat angles P-C4'-P energy: -112.751 tors. eta vs tors. theta energy: -221.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2400.807123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.807123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.807123 (E_RNA) where: Base-Base interactions energy: -1654.119 where: short stacking energy: -686.829 Base-Backbone interact. energy: -0.076 local terms energy: -746.612121 where: bonds (distance) C4'-P energy: -134.977 bonds (distance) P-C4' energy: -153.030 flat angles C4'-P-C4' energy: -160.710 flat angles P-C4'-P energy: -90.940 tors. eta vs tors. theta energy: -206.956 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2211.546018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.546018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.546018 (E_RNA) where: Base-Base interactions energy: -1507.565 where: short stacking energy: -625.179 Base-Backbone interact. energy: -3.316 local terms energy: -700.665361 where: bonds (distance) C4'-P energy: -133.076 bonds (distance) P-C4' energy: -142.634 flat angles C4'-P-C4' energy: -163.352 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -177.483 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: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1984.517511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.517511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.517511 (E_RNA) where: Base-Base interactions energy: -1284.404 where: short stacking energy: -569.654 Base-Backbone interact. energy: 1.957 local terms energy: -702.070614 where: bonds (distance) C4'-P energy: -112.851 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -162.516 flat angles P-C4'-P energy: -108.428 tors. eta vs tors. theta energy: -174.994 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: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1936.215682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.215682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.215682 (E_RNA) where: Base-Base interactions energy: -1294.722 where: short stacking energy: -548.640 Base-Backbone interact. energy: 0.356 local terms energy: -641.850042 where: bonds (distance) C4'-P energy: -125.344 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -167.927 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -141.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1803.034635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.034635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.034635 (E_RNA) where: Base-Base interactions energy: -1200.605 where: short stacking energy: -516.436 Base-Backbone interact. energy: -0.782 local terms energy: -601.646669 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -138.395 flat angles C4'-P-C4' energy: -143.846 flat angles P-C4'-P energy: -84.423 tors. eta vs tors. theta energy: -131.946 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: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1080.490844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.490844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.490844 (E_RNA) where: Base-Base interactions energy: -616.818 where: short stacking energy: -322.392 Base-Backbone interact. energy: -1.206 local terms energy: -462.466684 where: bonds (distance) C4'-P energy: -113.633 bonds (distance) P-C4' energy: -125.724 flat angles C4'-P-C4' energy: -111.868 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -47.717 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: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -733.129780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.129780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.129780 (E_RNA) where: Base-Base interactions energy: -328.289 where: short stacking energy: -215.595 Base-Backbone interact. energy: 1.204 local terms energy: -406.045087 where: bonds (distance) C4'-P energy: -112.597 bonds (distance) P-C4' energy: -117.849 flat angles C4'-P-C4' energy: -110.700 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -6.275 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: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -576.605878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.605878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.605878 (E_RNA) where: Base-Base interactions energy: -205.862 where: short stacking energy: -164.651 Base-Backbone interact. energy: -0.298 local terms energy: -370.446115 where: bonds (distance) C4'-P energy: -121.338 bonds (distance) P-C4' energy: -131.812 flat angles C4'-P-C4' energy: -92.583 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: 26.130 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: 1, replica: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2638.785564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.785564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.785564 (E_RNA) where: Base-Base interactions energy: -1811.242 where: short stacking energy: -772.844 Base-Backbone interact. energy: -0.979 local terms energy: -826.564547 where: bonds (distance) C4'-P energy: -146.683 bonds (distance) P-C4' energy: -150.710 flat angles C4'-P-C4' energy: -180.060 flat angles P-C4'-P energy: -117.665 tors. eta vs tors. theta energy: -231.447 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: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2485.502919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.502919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.502919 (E_RNA) where: Base-Base interactions energy: -1672.055 where: short stacking energy: -714.546 Base-Backbone interact. energy: -2.035 local terms energy: -811.412645 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -232.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2415.138500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.138500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.138500 (E_RNA) where: Base-Base interactions energy: -1637.716 where: short stacking energy: -690.346 Base-Backbone interact. energy: -0.281 local terms energy: -777.142169 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -136.805 flat angles C4'-P-C4' energy: -171.396 flat angles P-C4'-P energy: -111.560 tors. eta vs tors. theta energy: -210.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2250.738332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.738332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.738332 (E_RNA) where: Base-Base interactions energy: -1521.378 where: short stacking energy: -638.956 Base-Backbone interact. energy: -2.994 local terms energy: -726.366625 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -145.409 flat angles C4'-P-C4' energy: -162.685 flat angles P-C4'-P energy: -106.133 tors. eta vs tors. theta energy: -195.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1960.132255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.132255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.132255 (E_RNA) where: Base-Base interactions energy: -1271.527 where: short stacking energy: -553.133 Base-Backbone interact. energy: -0.825 local terms energy: -687.780363 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -140.402 flat angles C4'-P-C4' energy: -151.003 flat angles P-C4'-P energy: -84.119 tors. eta vs tors. theta energy: -170.665 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: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1930.626609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.626609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.626609 (E_RNA) where: Base-Base interactions energy: -1277.197 where: short stacking energy: -533.327 Base-Backbone interact. energy: -2.385 local terms energy: -651.044671 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -131.823 flat angles P-C4'-P energy: -100.422 tors. eta vs tors. theta energy: -145.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1784.251208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.251208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.251208 (E_RNA) where: Base-Base interactions energy: -1184.292 where: short stacking energy: -543.152 Base-Backbone interact. energy: 1.308 local terms energy: -601.266922 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -124.265 flat angles C4'-P-C4' energy: -151.007 flat angles P-C4'-P energy: -74.629 tors. eta vs tors. theta energy: -126.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1024.838620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.838620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.838620 (E_RNA) where: Base-Base interactions energy: -567.918 where: short stacking energy: -279.891 Base-Backbone interact. energy: -1.879 local terms energy: -455.040854 where: bonds (distance) C4'-P energy: -118.217 bonds (distance) P-C4' energy: -146.172 flat angles C4'-P-C4' energy: -99.311 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -22.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -737.957434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.957434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.957434 (E_RNA) where: Base-Base interactions energy: -347.861 where: short stacking energy: -223.258 Base-Backbone interact. energy: 0.799 local terms energy: -390.895292 where: bonds (distance) C4'-P energy: -105.762 bonds (distance) P-C4' energy: -138.984 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: 10.790 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: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -564.533073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.533073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.533073 (E_RNA) where: Base-Base interactions energy: -214.014 where: short stacking energy: -160.396 Base-Backbone interact. energy: -3.021 local terms energy: -347.497347 where: bonds (distance) C4'-P energy: -118.082 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -110.082 flat angles P-C4'-P energy: -40.296 tors. eta vs tors. theta energy: 45.587 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: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2632.175266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.175266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.175266 (E_RNA) where: Base-Base interactions energy: -1784.771 where: short stacking energy: -725.786 Base-Backbone interact. energy: -1.108 local terms energy: -846.296411 where: bonds (distance) C4'-P energy: -156.842 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -185.850 flat angles P-C4'-P energy: -126.144 tors. eta vs tors. theta energy: -224.081 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: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2513.405230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.405230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.405230 (E_RNA) where: Base-Base interactions energy: -1729.801 where: short stacking energy: -728.994 Base-Backbone interact. energy: -2.145 local terms energy: -781.458930 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -132.027 flat angles C4'-P-C4' energy: -174.647 flat angles P-C4'-P energy: -101.543 tors. eta vs tors. theta energy: -230.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2434.711849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.711849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.711849 (E_RNA) where: Base-Base interactions energy: -1684.550 where: short stacking energy: -723.110 Base-Backbone interact. energy: -3.724 local terms energy: -746.438085 where: bonds (distance) C4'-P energy: -128.919 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -162.823 flat angles P-C4'-P energy: -97.142 tors. eta vs tors. theta energy: -216.703 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: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2258.656166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.656166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.656166 (E_RNA) where: Base-Base interactions energy: -1551.851 where: short stacking energy: -644.449 Base-Backbone interact. energy: 3.575 local terms energy: -710.380266 where: bonds (distance) C4'-P energy: -146.295 bonds (distance) P-C4' energy: -118.616 flat angles C4'-P-C4' energy: -162.182 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -180.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2008.370960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.370960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.370960 (E_RNA) where: Base-Base interactions energy: -1335.756 where: short stacking energy: -621.666 Base-Backbone interact. energy: 0.700 local terms energy: -673.315373 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -121.648 flat angles C4'-P-C4' energy: -160.350 flat angles P-C4'-P energy: -80.099 tors. eta vs tors. theta energy: -179.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1895.984176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.984176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.984176 (E_RNA) where: Base-Base interactions energy: -1229.842 where: short stacking energy: -538.941 Base-Backbone interact. energy: -0.841 local terms energy: -665.301224 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -137.781 flat angles C4'-P-C4' energy: -149.103 flat angles P-C4'-P energy: -98.681 tors. eta vs tors. theta energy: -149.652 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: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1779.594249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.594249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.594249 (E_RNA) where: Base-Base interactions energy: -1183.958 where: short stacking energy: -522.038 Base-Backbone interact. energy: 3.005 local terms energy: -598.641196 where: bonds (distance) C4'-P energy: -121.793 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -131.246 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -135.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1032.232576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.232576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.232576 (E_RNA) where: Base-Base interactions energy: -539.939 where: short stacking energy: -278.417 Base-Backbone interact. energy: -1.857 local terms energy: -490.437118 where: bonds (distance) C4'-P energy: -124.056 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -120.268 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -39.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -735.297462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.297462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.297462 (E_RNA) where: Base-Base interactions energy: -337.850 where: short stacking energy: -199.041 Base-Backbone interact. energy: -1.035 local terms energy: -396.412162 where: bonds (distance) C4'-P energy: -109.415 bonds (distance) P-C4' energy: -111.596 flat angles C4'-P-C4' energy: -106.345 flat angles P-C4'-P energy: -76.205 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: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -549.362918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.362918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.362918 (E_RNA) where: Base-Base interactions energy: -167.390 where: short stacking energy: -140.779 Base-Backbone interact. energy: 2.697 local terms energy: -384.670468 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -137.834 flat angles C4'-P-C4' energy: -92.943 flat angles P-C4'-P energy: -63.508 tors. eta vs tors. theta energy: 26.609 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: 304 Temperature: 0.900000 Total energy: -2601.891132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.891132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.891132 (E_RNA) where: Base-Base interactions energy: -1772.131 where: short stacking energy: -766.086 Base-Backbone interact. energy: -5.818 local terms energy: -823.941861 where: bonds (distance) C4'-P energy: -158.065 bonds (distance) P-C4' energy: -156.580 flat angles C4'-P-C4' energy: -170.224 flat angles P-C4'-P energy: -119.514 tors. eta vs tors. theta energy: -219.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2506.979094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.979094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.979094 (E_RNA) where: Base-Base interactions energy: -1697.695 where: short stacking energy: -720.548 Base-Backbone interact. energy: 1.716 local terms energy: -811.000302 where: bonds (distance) C4'-P energy: -134.242 bonds (distance) P-C4' energy: -146.367 flat angles C4'-P-C4' energy: -174.890 flat angles P-C4'-P energy: -124.923 tors. eta vs tors. theta energy: -230.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2415.710196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.710196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.710196 (E_RNA) where: Base-Base interactions energy: -1645.175 where: short stacking energy: -691.078 Base-Backbone interact. energy: -0.980 local terms energy: -769.554970 where: bonds (distance) C4'-P energy: -136.349 bonds (distance) P-C4' energy: -157.290 flat angles C4'-P-C4' energy: -153.654 flat angles P-C4'-P energy: -104.523 tors. eta vs tors. theta energy: -217.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2218.091195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.091195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.091195 (E_RNA) where: Base-Base interactions energy: -1504.521 where: short stacking energy: -632.213 Base-Backbone interact. energy: -0.508 local terms energy: -713.061561 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -157.109 flat angles C4'-P-C4' energy: -146.432 flat angles P-C4'-P energy: -99.300 tors. eta vs tors. theta energy: -184.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2004.077597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.077597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.077597 (E_RNA) where: Base-Base interactions energy: -1320.984 where: short stacking energy: -589.630 Base-Backbone interact. energy: -6.548 local terms energy: -676.544786 where: bonds (distance) C4'-P energy: -124.224 bonds (distance) P-C4' energy: -139.698 flat angles C4'-P-C4' energy: -156.733 flat angles P-C4'-P energy: -78.334 tors. eta vs tors. theta energy: -177.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1912.783422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.783422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.783422 (E_RNA) where: Base-Base interactions energy: -1247.035 where: short stacking energy: -542.308 Base-Backbone interact. energy: -3.830 local terms energy: -661.918133 where: bonds (distance) C4'-P energy: -146.386 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -151.236 flat angles P-C4'-P energy: -84.795 tors. eta vs tors. theta energy: -145.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1855.992454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.992454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.992454 (E_RNA) where: Base-Base interactions energy: -1274.038 where: short stacking energy: -533.829 Base-Backbone interact. energy: -2.562 local terms energy: -579.392154 where: bonds (distance) C4'-P energy: -110.943 bonds (distance) P-C4' energy: -129.588 flat angles C4'-P-C4' energy: -122.697 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -143.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1087.129479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.129479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.129479 (E_RNA) where: Base-Base interactions energy: -599.944 where: short stacking energy: -278.466 Base-Backbone interact. energy: -2.599 local terms energy: -484.586564 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -133.084 flat angles C4'-P-C4' energy: -118.373 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -34.223 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -742.522849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.522849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.522849 (E_RNA) where: Base-Base interactions energy: -351.756 where: short stacking energy: -235.072 Base-Backbone interact. energy: 0.902 local terms energy: -391.668671 where: bonds (distance) C4'-P energy: -115.230 bonds (distance) P-C4' energy: -106.998 flat angles C4'-P-C4' energy: -98.229 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: 4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -553.998014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.998014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.998014 (E_RNA) where: Base-Base interactions energy: -147.615 where: short stacking energy: -121.211 Base-Backbone interact. energy: -4.014 local terms energy: -402.369707 where: bonds (distance) C4'-P energy: -120.247 bonds (distance) P-C4' energy: -142.793 flat angles C4'-P-C4' energy: -97.754 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: 22.191 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: 305 Temperature: 0.900000 Total energy: -2614.493333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.493333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.493333 (E_RNA) where: Base-Base interactions energy: -1792.217 where: short stacking energy: -752.056 Base-Backbone interact. energy: -3.549 local terms energy: -818.726599 where: bonds (distance) C4'-P energy: -149.676 bonds (distance) P-C4' energy: -163.079 flat angles C4'-P-C4' energy: -171.001 flat angles P-C4'-P energy: -113.597 tors. eta vs tors. theta energy: -221.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2561.759113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.759113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.759113 (E_RNA) where: Base-Base interactions energy: -1728.677 where: short stacking energy: -752.295 Base-Backbone interact. energy: -3.276 local terms energy: -829.805868 where: bonds (distance) C4'-P energy: -151.021 bonds (distance) P-C4' energy: -152.130 flat angles C4'-P-C4' energy: -170.624 flat angles P-C4'-P energy: -123.457 tors. eta vs tors. theta energy: -232.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2449.500661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.500661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.500661 (E_RNA) where: Base-Base interactions energy: -1684.984 where: short stacking energy: -721.133 Base-Backbone interact. energy: -0.514 local terms energy: -764.002643 where: bonds (distance) C4'-P energy: -130.661 bonds (distance) P-C4' energy: -141.011 flat angles C4'-P-C4' energy: -165.153 flat angles P-C4'-P energy: -111.132 tors. eta vs tors. theta energy: -216.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2219.106625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.106625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.106625 (E_RNA) where: Base-Base interactions energy: -1540.225 where: short stacking energy: -643.182 Base-Backbone interact. energy: -3.208 local terms energy: -675.673492 where: bonds (distance) C4'-P energy: -115.623 bonds (distance) P-C4' energy: -131.762 flat angles C4'-P-C4' energy: -158.194 flat angles P-C4'-P energy: -98.775 tors. eta vs tors. theta energy: -171.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2009.008469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.008469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.008469 (E_RNA) where: Base-Base interactions energy: -1324.879 where: short stacking energy: -596.162 Base-Backbone interact. energy: -2.771 local terms energy: -681.358525 where: bonds (distance) C4'-P energy: -124.638 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -156.555 flat angles P-C4'-P energy: -87.804 tors. eta vs tors. theta energy: -168.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1910.203775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.203775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.203775 (E_RNA) where: Base-Base interactions energy: -1261.339 where: short stacking energy: -559.050 Base-Backbone interact. energy: 0.187 local terms energy: -649.052050 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -144.476 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -153.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1901.637176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.637176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.637176 (E_RNA) where: Base-Base interactions energy: -1263.957 where: short stacking energy: -522.223 Base-Backbone interact. energy: -1.665 local terms energy: -636.014794 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -128.579 flat angles C4'-P-C4' energy: -138.990 flat angles P-C4'-P energy: -97.539 tors. eta vs tors. theta energy: -142.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1110.339201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.339201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.339201 (E_RNA) where: Base-Base interactions energy: -642.530 where: short stacking energy: -322.684 Base-Backbone interact. energy: 3.813 local terms energy: -471.621651 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -112.587 flat angles C4'-P-C4' energy: -118.751 flat angles P-C4'-P energy: -70.615 tors. eta vs tors. theta energy: -41.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -672.228002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.228002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.228002 (E_RNA) where: Base-Base interactions energy: -286.398 where: short stacking energy: -226.961 Base-Backbone interact. energy: -0.802 local terms energy: -385.027925 where: bonds (distance) C4'-P energy: -119.252 bonds (distance) P-C4' energy: -125.716 flat angles C4'-P-C4' energy: -95.739 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: 9.052 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: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -608.482048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.482048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.482048 (E_RNA) where: Base-Base interactions energy: -231.461 where: short stacking energy: -146.849 Base-Backbone interact. energy: 0.340 local terms energy: -377.361106 where: bonds (distance) C4'-P energy: -109.328 bonds (distance) P-C4' energy: -140.685 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -56.561 tors. eta vs tors. theta energy: 26.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2639.913010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.913010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.913010 (E_RNA) where: Base-Base interactions energy: -1819.939 where: short stacking energy: -755.086 Base-Backbone interact. energy: -2.581 local terms energy: -817.393523 where: bonds (distance) C4'-P energy: -142.545 bonds (distance) P-C4' energy: -153.438 flat angles C4'-P-C4' energy: -179.309 flat angles P-C4'-P energy: -108.897 tors. eta vs tors. theta energy: -233.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2507.404880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.404880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.404880 (E_RNA) where: Base-Base interactions energy: -1693.567 where: short stacking energy: -729.928 Base-Backbone interact. energy: -2.451 local terms energy: -811.387052 where: bonds (distance) C4'-P energy: -144.697 bonds (distance) P-C4' energy: -154.257 flat angles C4'-P-C4' energy: -177.267 flat angles P-C4'-P energy: -113.568 tors. eta vs tors. theta energy: -221.598 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: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2453.815916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.815916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.815916 (E_RNA) where: Base-Base interactions energy: -1664.741 where: short stacking energy: -691.246 Base-Backbone interact. energy: -2.654 local terms energy: -786.420547 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -143.883 flat angles C4'-P-C4' energy: -167.594 flat angles P-C4'-P energy: -117.685 tors. eta vs tors. theta energy: -210.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2221.392887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.392887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.392887 (E_RNA) where: Base-Base interactions energy: -1512.404 where: short stacking energy: -624.215 Base-Backbone interact. energy: 3.161 local terms energy: -712.150491 where: bonds (distance) C4'-P energy: -132.923 bonds (distance) P-C4' energy: -128.317 flat angles C4'-P-C4' energy: -161.418 flat angles P-C4'-P energy: -111.489 tors. eta vs tors. theta energy: -178.004 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: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1983.641864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.641864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.641864 (E_RNA) where: Base-Base interactions energy: -1301.333 where: short stacking energy: -548.506 Base-Backbone interact. energy: -0.772 local terms energy: -681.536068 where: bonds (distance) C4'-P energy: -143.099 bonds (distance) P-C4' energy: -128.308 flat angles C4'-P-C4' energy: -134.812 flat angles P-C4'-P energy: -105.424 tors. eta vs tors. theta energy: -169.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1888.023872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.023872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.023872 (E_RNA) where: Base-Base interactions energy: -1277.997 where: short stacking energy: -528.415 Base-Backbone interact. energy: 6.225 local terms energy: -616.252392 where: bonds (distance) C4'-P energy: -135.417 bonds (distance) P-C4' energy: -105.885 flat angles C4'-P-C4' energy: -135.057 flat angles P-C4'-P energy: -95.162 tors. eta vs tors. theta energy: -144.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1923.152826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.152826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.152826 (E_RNA) where: Base-Base interactions energy: -1269.896 where: short stacking energy: -553.521 Base-Backbone interact. energy: -2.251 local terms energy: -651.006464 where: bonds (distance) C4'-P energy: -127.823 bonds (distance) P-C4' energy: -149.682 flat angles C4'-P-C4' energy: -130.668 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -156.644 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: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1110.483908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.483908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.483908 (E_RNA) where: Base-Base interactions energy: -653.569 where: short stacking energy: -323.313 Base-Backbone interact. energy: 0.107 local terms energy: -457.021194 where: bonds (distance) C4'-P energy: -115.567 bonds (distance) P-C4' energy: -110.065 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -77.782 tors. eta vs tors. theta energy: -40.680 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: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -729.540958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.540958 (E_RNA) where: Base-Base interactions energy: -317.564 where: short stacking energy: -223.294 Base-Backbone interact. energy: -1.762 local terms energy: -410.214973 where: bonds (distance) C4'-P energy: -107.287 bonds (distance) P-C4' energy: -130.523 flat angles C4'-P-C4' energy: -120.177 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: 4.761 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: 306 Temperature: 1.350000 Total energy: -611.750525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.750525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.750525 (E_RNA) where: Base-Base interactions energy: -225.513 where: short stacking energy: -165.748 Base-Backbone interact. energy: -0.442 local terms energy: -385.796406 where: bonds (distance) C4'-P energy: -115.925 bonds (distance) P-C4' energy: -124.715 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -62.485 tors. eta vs tors. theta energy: 25.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2596.127228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.127228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.127228 (E_RNA) where: Base-Base interactions energy: -1760.645 where: short stacking energy: -744.056 Base-Backbone interact. energy: -1.206 local terms energy: -834.276229 where: bonds (distance) C4'-P energy: -170.462 bonds (distance) P-C4' energy: -155.926 flat angles C4'-P-C4' energy: -184.266 flat angles P-C4'-P energy: -111.746 tors. eta vs tors. theta energy: -211.876 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: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2524.006953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.006953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.006953 (E_RNA) where: Base-Base interactions energy: -1695.087 where: short stacking energy: -697.804 Base-Backbone interact. energy: -4.979 local terms energy: -823.941402 where: bonds (distance) C4'-P energy: -146.364 bonds (distance) P-C4' energy: -152.157 flat angles C4'-P-C4' energy: -173.012 flat angles P-C4'-P energy: -130.775 tors. eta vs tors. theta energy: -221.633 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2477.817436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.817436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.817436 (E_RNA) where: Base-Base interactions energy: -1710.016 where: short stacking energy: -709.188 Base-Backbone interact. energy: -1.248 local terms energy: -766.552691 where: bonds (distance) C4'-P energy: -150.458 bonds (distance) P-C4' energy: -141.056 flat angles C4'-P-C4' energy: -175.031 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -203.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2249.808198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.808198 (E_RNA) where: Base-Base interactions energy: -1525.628 where: short stacking energy: -626.315 Base-Backbone interact. energy: -3.759 local terms energy: -720.420610 where: bonds (distance) C4'-P energy: -150.692 bonds (distance) P-C4' energy: -131.444 flat angles C4'-P-C4' energy: -165.029 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -179.982 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2050.946569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.946569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.946569 (E_RNA) where: Base-Base interactions energy: -1358.369 where: short stacking energy: -607.553 Base-Backbone interact. energy: -0.592 local terms energy: -691.984768 where: bonds (distance) C4'-P energy: -142.871 bonds (distance) P-C4' energy: -124.843 flat angles C4'-P-C4' energy: -155.688 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -174.888 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: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1906.922098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.922098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.922098 (E_RNA) where: Base-Base interactions energy: -1259.651 where: short stacking energy: -550.600 Base-Backbone interact. energy: 0.017 local terms energy: -647.288373 where: bonds (distance) C4'-P energy: -131.038 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -154.387 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -132.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1885.814862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.814862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.814862 (E_RNA) where: Base-Base interactions energy: -1227.645 where: short stacking energy: -541.517 Base-Backbone interact. energy: -2.759 local terms energy: -655.410900 where: bonds (distance) C4'-P energy: -129.643 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -153.323 flat angles P-C4'-P energy: -82.052 tors. eta vs tors. theta energy: -145.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1174.922265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.922265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.922265 (E_RNA) where: Base-Base interactions energy: -680.839 where: short stacking energy: -315.997 Base-Backbone interact. energy: 0.809 local terms energy: -494.892476 where: bonds (distance) C4'-P energy: -123.528 bonds (distance) P-C4' energy: -128.392 flat angles C4'-P-C4' energy: -133.935 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -38.008 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: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -735.462909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.462909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.462909 (E_RNA) where: Base-Base interactions energy: -318.242 where: short stacking energy: -189.195 Base-Backbone interact. energy: 1.760 local terms energy: -418.980474 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -150.460 flat angles C4'-P-C4' energy: -103.337 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: 21.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -577.899074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.899074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.899074 (E_RNA) where: Base-Base interactions energy: -193.057 where: short stacking energy: -144.861 Base-Backbone interact. energy: 4.683 local terms energy: -389.525063 where: bonds (distance) C4'-P energy: -114.782 bonds (distance) P-C4' energy: -134.946 flat angles C4'-P-C4' energy: -116.682 flat angles P-C4'-P energy: -64.796 tors. eta vs tors. theta energy: 41.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2632.988170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.988170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.988170 (E_RNA) where: Base-Base interactions energy: -1822.337 where: short stacking energy: -789.706 Base-Backbone interact. energy: -2.175 local terms energy: -808.475733 where: bonds (distance) C4'-P energy: -138.517 bonds (distance) P-C4' energy: -140.984 flat angles C4'-P-C4' energy: -180.249 flat angles P-C4'-P energy: -113.519 tors. eta vs tors. theta energy: -235.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2554.753605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.753605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.753605 (E_RNA) where: Base-Base interactions energy: -1743.985 where: short stacking energy: -726.342 Base-Backbone interact. energy: -2.070 local terms energy: -808.698444 where: bonds (distance) C4'-P energy: -149.480 bonds (distance) P-C4' energy: -166.464 flat angles C4'-P-C4' energy: -172.709 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -225.309 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: 308 Temperature: 1.000000 Total energy: -2476.827728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.827728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.827728 (E_RNA) where: Base-Base interactions energy: -1691.727 where: short stacking energy: -697.417 Base-Backbone interact. energy: -1.312 local terms energy: -783.788566 where: bonds (distance) C4'-P energy: -148.342 bonds (distance) P-C4' energy: -149.081 flat angles C4'-P-C4' energy: -167.106 flat angles P-C4'-P energy: -108.286 tors. eta vs tors. theta energy: -210.974 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: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2227.098866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.098866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.098866 (E_RNA) where: Base-Base interactions energy: -1523.217 where: short stacking energy: -631.136 Base-Backbone interact. energy: 1.990 local terms energy: -705.871934 where: bonds (distance) C4'-P energy: -143.166 bonds (distance) P-C4' energy: -142.050 flat angles C4'-P-C4' energy: -134.584 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -188.964 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2103.100382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.100382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.100382 (E_RNA) where: Base-Base interactions energy: -1392.964 where: short stacking energy: -644.176 Base-Backbone interact. energy: -0.639 local terms energy: -709.496819 where: bonds (distance) C4'-P energy: -146.565 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -152.017 flat angles P-C4'-P energy: -97.137 tors. eta vs tors. theta energy: -186.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1884.702304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.702304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.702304 (E_RNA) where: Base-Base interactions energy: -1241.242 where: short stacking energy: -533.989 Base-Backbone interact. energy: 1.599 local terms energy: -645.059547 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -142.558 flat angles C4'-P-C4' energy: -148.785 flat angles P-C4'-P energy: -88.435 tors. eta vs tors. theta energy: -125.872 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: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1862.101753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.101753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.101753 (E_RNA) where: Base-Base interactions energy: -1214.026 where: short stacking energy: -498.447 Base-Backbone interact. energy: -1.663 local terms energy: -646.412720 where: bonds (distance) C4'-P energy: -132.303 bonds (distance) P-C4' energy: -141.511 flat angles C4'-P-C4' energy: -137.241 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -152.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1142.756666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.756666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.756666 (E_RNA) where: Base-Base interactions energy: -647.525 where: short stacking energy: -313.639 Base-Backbone interact. energy: 3.312 local terms energy: -498.543900 where: bonds (distance) C4'-P energy: -135.281 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -119.446 flat angles P-C4'-P energy: -90.382 tors. eta vs tors. theta energy: -31.638 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -688.196917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.196917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.196917 (E_RNA) where: Base-Base interactions energy: -283.249 where: short stacking energy: -183.464 Base-Backbone interact. energy: 3.882 local terms energy: -408.830056 where: bonds (distance) C4'-P energy: -111.813 bonds (distance) P-C4' energy: -128.828 flat angles C4'-P-C4' energy: -97.653 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: 5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -602.419784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.419784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.419784 (E_RNA) where: Base-Base interactions energy: -230.162 where: short stacking energy: -145.488 Base-Backbone interact. energy: -2.267 local terms energy: -369.990538 where: bonds (distance) C4'-P energy: -110.804 bonds (distance) P-C4' energy: -131.560 flat angles C4'-P-C4' energy: -107.814 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: 44.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2607.682588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.682588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.682588 (E_RNA) where: Base-Base interactions energy: -1812.409 where: short stacking energy: -791.284 Base-Backbone interact. energy: 0.938 local terms energy: -796.211558 where: bonds (distance) C4'-P energy: -125.481 bonds (distance) P-C4' energy: -153.348 flat angles C4'-P-C4' energy: -169.033 flat angles P-C4'-P energy: -114.391 tors. eta vs tors. theta energy: -233.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2529.888512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.888512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.888512 (E_RNA) where: Base-Base interactions energy: -1735.165 where: short stacking energy: -705.994 Base-Backbone interact. energy: -5.436 local terms energy: -789.286972 where: bonds (distance) C4'-P energy: -144.558 bonds (distance) P-C4' energy: -146.648 flat angles C4'-P-C4' energy: -170.514 flat angles P-C4'-P energy: -114.612 tors. eta vs tors. theta energy: -212.955 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: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2479.695444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.695444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.695444 (E_RNA) where: Base-Base interactions energy: -1695.031 where: short stacking energy: -694.630 Base-Backbone interact. energy: -3.933 local terms energy: -780.731286 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -153.324 flat angles C4'-P-C4' energy: -174.725 flat angles P-C4'-P energy: -111.317 tors. eta vs tors. theta energy: -209.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2232.518709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.518709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.518709 (E_RNA) where: Base-Base interactions energy: -1541.220 where: short stacking energy: -598.730 Base-Backbone interact. energy: -0.697 local terms energy: -690.602073 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -139.779 flat angles C4'-P-C4' energy: -154.120 flat angles P-C4'-P energy: -92.624 tors. eta vs tors. theta energy: -162.580 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: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2091.802452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.802452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.802452 (E_RNA) where: Base-Base interactions energy: -1379.438 where: short stacking energy: -570.011 Base-Backbone interact. energy: 0.659 local terms energy: -713.022922 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -136.873 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -102.836 tors. eta vs tors. theta energy: -178.472 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: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1924.315329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.315329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.315329 (E_RNA) where: Base-Base interactions energy: -1290.503 where: short stacking energy: -543.804 Base-Backbone interact. energy: 7.953 local terms energy: -641.765068 where: bonds (distance) C4'-P energy: -133.283 bonds (distance) P-C4' energy: -134.492 flat angles C4'-P-C4' energy: -141.556 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -141.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1843.615424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.615424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.615424 (E_RNA) where: Base-Base interactions energy: -1226.314 where: short stacking energy: -527.912 Base-Backbone interact. energy: -0.693 local terms energy: -616.608440 where: bonds (distance) C4'-P energy: -122.152 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -146.632 flat angles P-C4'-P energy: -72.137 tors. eta vs tors. theta energy: -135.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1106.744715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.744715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.744715 (E_RNA) where: Base-Base interactions energy: -627.288 where: short stacking energy: -275.415 Base-Backbone interact. energy: 11.107 local terms energy: -490.563692 where: bonds (distance) C4'-P energy: -128.946 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -110.225 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: -28.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -712.664528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.664528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.664528 (E_RNA) where: Base-Base interactions energy: -323.703 where: short stacking energy: -184.262 Base-Backbone interact. energy: 5.977 local terms energy: -394.938420 where: bonds (distance) C4'-P energy: -114.385 bonds (distance) P-C4' energy: -144.910 flat angles C4'-P-C4' energy: -107.630 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: 29.445 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -535.971061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.971061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.971061 (E_RNA) where: Base-Base interactions energy: -178.141 where: short stacking energy: -143.486 Base-Backbone interact. energy: -4.561 local terms energy: -353.269145 where: bonds (distance) C4'-P energy: -129.413 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -100.106 flat angles P-C4'-P energy: -52.320 tors. eta vs tors. theta energy: 45.381 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: 310 Temperature: 0.900000 Total energy: -2623.896211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.896211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.896211 (E_RNA) where: Base-Base interactions energy: -1821.927 where: short stacking energy: -779.271 Base-Backbone interact. energy: -5.112 local terms energy: -796.857095 where: bonds (distance) C4'-P energy: -152.178 bonds (distance) P-C4' energy: -139.942 flat angles C4'-P-C4' energy: -165.697 flat angles P-C4'-P energy: -108.754 tors. eta vs tors. theta energy: -230.286 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: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2523.541105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.541105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.541105 (E_RNA) where: Base-Base interactions energy: -1746.738 where: short stacking energy: -728.814 Base-Backbone interact. energy: 1.146 local terms energy: -777.949963 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -139.871 flat angles C4'-P-C4' energy: -162.478 flat angles P-C4'-P energy: -108.684 tors. eta vs tors. theta energy: -225.892 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: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2518.933802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.933802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.933802 (E_RNA) where: Base-Base interactions energy: -1751.488 where: short stacking energy: -754.306 Base-Backbone interact. energy: -1.528 local terms energy: -765.918035 where: bonds (distance) C4'-P energy: -145.249 bonds (distance) P-C4' energy: -143.756 flat angles C4'-P-C4' energy: -159.950 flat angles P-C4'-P energy: -107.006 tors. eta vs tors. theta energy: -209.956 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: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2233.154304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.154304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.154304 (E_RNA) where: Base-Base interactions energy: -1513.023 where: short stacking energy: -633.872 Base-Backbone interact. energy: -4.686 local terms energy: -715.444925 where: bonds (distance) C4'-P energy: -151.927 bonds (distance) P-C4' energy: -140.682 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -94.441 tors. eta vs tors. theta energy: -175.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2056.851718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.851718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.851718 (E_RNA) where: Base-Base interactions energy: -1330.152 where: short stacking energy: -596.736 Base-Backbone interact. energy: -0.802 local terms energy: -725.897490 where: bonds (distance) C4'-P energy: -130.149 bonds (distance) P-C4' energy: -151.283 flat angles C4'-P-C4' energy: -163.921 flat angles P-C4'-P energy: -96.194 tors. eta vs tors. theta energy: -184.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1901.992177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.992177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.992177 (E_RNA) where: Base-Base interactions energy: -1266.449 where: short stacking energy: -531.351 Base-Backbone interact. energy: -0.638 local terms energy: -634.904602 where: bonds (distance) C4'-P energy: -128.245 bonds (distance) P-C4' energy: -138.121 flat angles C4'-P-C4' energy: -140.153 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -140.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1870.301833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.301833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.301833 (E_RNA) where: Base-Base interactions energy: -1258.295 where: short stacking energy: -521.003 Base-Backbone interact. energy: 1.421 local terms energy: -613.427397 where: bonds (distance) C4'-P energy: -125.550 bonds (distance) P-C4' energy: -107.952 flat angles C4'-P-C4' energy: -153.172 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -132.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1048.527956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.527956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.527956 (E_RNA) where: Base-Base interactions energy: -560.998 where: short stacking energy: -293.046 Base-Backbone interact. energy: -4.131 local terms energy: -483.398991 where: bonds (distance) C4'-P energy: -124.579 bonds (distance) P-C4' energy: -124.902 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -31.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -718.235476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.235476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.235476 (E_RNA) where: Base-Base interactions energy: -278.726 where: short stacking energy: -164.833 Base-Backbone interact. energy: 6.353 local terms energy: -445.861864 where: bonds (distance) C4'-P energy: -125.100 bonds (distance) P-C4' energy: -134.579 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: 26.742 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: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -594.542913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.542913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.542913 (E_RNA) where: Base-Base interactions energy: -202.341 where: short stacking energy: -162.219 Base-Backbone interact. energy: 1.499 local terms energy: -393.700881 where: bonds (distance) C4'-P energy: -127.433 bonds (distance) P-C4' energy: -138.001 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: 24.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2621.720311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.720311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.720311 (E_RNA) where: Base-Base interactions energy: -1828.797 where: short stacking energy: -760.642 Base-Backbone interact. energy: -2.165 local terms energy: -790.757909 where: bonds (distance) C4'-P energy: -149.532 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -176.015 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -222.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2542.634658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.634658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.634658 (E_RNA) where: Base-Base interactions energy: -1714.506 where: short stacking energy: -712.286 Base-Backbone interact. energy: -3.346 local terms energy: -824.783366 where: bonds (distance) C4'-P energy: -149.422 bonds (distance) P-C4' energy: -157.417 flat angles C4'-P-C4' energy: -180.257 flat angles P-C4'-P energy: -107.855 tors. eta vs tors. theta energy: -229.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2465.558113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.558113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.558113 (E_RNA) where: Base-Base interactions energy: -1684.152 where: short stacking energy: -716.748 Base-Backbone interact. energy: 1.218 local terms energy: -782.624372 where: bonds (distance) C4'-P energy: -148.521 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -163.563 flat angles P-C4'-P energy: -107.610 tors. eta vs tors. theta energy: -212.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2240.383687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.383687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.383687 (E_RNA) where: Base-Base interactions energy: -1534.903 where: short stacking energy: -635.667 Base-Backbone interact. energy: 2.824 local terms energy: -708.304533 where: bonds (distance) C4'-P energy: -126.833 bonds (distance) P-C4' energy: -147.642 flat angles C4'-P-C4' energy: -159.193 flat angles P-C4'-P energy: -101.362 tors. eta vs tors. theta energy: -173.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2110.571258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.571258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.571258 (E_RNA) where: Base-Base interactions energy: -1381.062 where: short stacking energy: -626.419 Base-Backbone interact. energy: -3.684 local terms energy: -725.825533 where: bonds (distance) C4'-P energy: -108.650 bonds (distance) P-C4' energy: -143.520 flat angles C4'-P-C4' energy: -171.904 flat angles P-C4'-P energy: -107.200 tors. eta vs tors. theta energy: -194.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2013.139480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.139480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.139480 (E_RNA) where: Base-Base interactions energy: -1371.163 where: short stacking energy: -577.387 Base-Backbone interact. energy: -0.433 local terms energy: -641.543655 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -124.297 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -100.059 tors. eta vs tors. theta energy: -152.742 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: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1791.310492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.310492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.310492 (E_RNA) where: Base-Base interactions energy: -1176.402 where: short stacking energy: -507.514 Base-Backbone interact. energy: -2.223 local terms energy: -612.685094 where: bonds (distance) C4'-P energy: -110.121 bonds (distance) P-C4' energy: -145.540 flat angles C4'-P-C4' energy: -130.346 flat angles P-C4'-P energy: -100.769 tors. eta vs tors. theta energy: -125.909 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: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1024.530590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.530590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.530590 (E_RNA) where: Base-Base interactions energy: -553.144 where: short stacking energy: -288.159 Base-Backbone interact. energy: 1.989 local terms energy: -473.375486 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -118.806 flat angles C4'-P-C4' energy: -126.141 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -41.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -761.947157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.947157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.947157 (E_RNA) where: Base-Base interactions energy: -358.619 where: short stacking energy: -205.549 Base-Backbone interact. energy: 1.805 local terms energy: -405.132626 where: bonds (distance) C4'-P energy: -121.103 bonds (distance) P-C4' energy: -116.425 flat angles C4'-P-C4' energy: -99.036 flat angles P-C4'-P energy: -75.398 tors. eta vs tors. theta energy: 6.829 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: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -601.605734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.605734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.605734 (E_RNA) where: Base-Base interactions energy: -219.488 where: short stacking energy: -159.383 Base-Backbone interact. energy: 8.953 local terms energy: -391.070189 where: bonds (distance) C4'-P energy: -120.583 bonds (distance) P-C4' energy: -136.195 flat angles C4'-P-C4' energy: -107.617 flat angles P-C4'-P energy: -55.985 tors. eta vs tors. theta energy: 29.310 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: 312 Temperature: 0.900000 Total energy: -2625.307904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.307904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.307904 (E_RNA) where: Base-Base interactions energy: -1838.521 where: short stacking energy: -772.924 Base-Backbone interact. energy: 1.163 local terms energy: -787.949487 where: bonds (distance) C4'-P energy: -128.616 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -183.239 flat angles P-C4'-P energy: -97.025 tors. eta vs tors. theta energy: -229.113 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: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2560.759665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.759665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.759665 (E_RNA) where: Base-Base interactions energy: -1755.585 where: short stacking energy: -728.325 Base-Backbone interact. energy: -4.116 local terms energy: -801.058834 where: bonds (distance) C4'-P energy: -145.295 bonds (distance) P-C4' energy: -148.594 flat angles C4'-P-C4' energy: -169.787 flat angles P-C4'-P energy: -113.110 tors. eta vs tors. theta energy: -224.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2481.220219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.220219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.220219 (E_RNA) where: Base-Base interactions energy: -1726.103 where: short stacking energy: -711.656 Base-Backbone interact. energy: 4.954 local terms energy: -760.070849 where: bonds (distance) C4'-P energy: -138.673 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -220.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2256.847019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.847019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.847019 (E_RNA) where: Base-Base interactions energy: -1526.765 where: short stacking energy: -629.287 Base-Backbone interact. energy: -0.746 local terms energy: -729.335491 where: bonds (distance) C4'-P energy: -143.495 bonds (distance) P-C4' energy: -147.089 flat angles C4'-P-C4' energy: -161.562 flat angles P-C4'-P energy: -95.815 tors. eta vs tors. theta energy: -181.375 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: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2154.834762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.834762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.834762 (E_RNA) where: Base-Base interactions energy: -1432.084 where: short stacking energy: -620.188 Base-Backbone interact. energy: -1.328 local terms energy: -721.422860 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -142.102 flat angles C4'-P-C4' energy: -154.673 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -185.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2023.046534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.046534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.046534 (E_RNA) where: Base-Base interactions energy: -1347.242 where: short stacking energy: -552.969 Base-Backbone interact. energy: 0.188 local terms energy: -675.992845 where: bonds (distance) C4'-P energy: -130.705 bonds (distance) P-C4' energy: -140.790 flat angles C4'-P-C4' energy: -149.763 flat angles P-C4'-P energy: -100.849 tors. eta vs tors. theta energy: -153.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1795.484288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.484288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.484288 (E_RNA) where: Base-Base interactions energy: -1219.159 where: short stacking energy: -480.546 Base-Backbone interact. energy: -1.898 local terms energy: -574.427432 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -137.471 flat angles C4'-P-C4' energy: -135.534 flat angles P-C4'-P energy: -77.298 tors. eta vs tors. theta energy: -102.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1076.353261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.353261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.353261 (E_RNA) where: Base-Base interactions energy: -575.107 where: short stacking energy: -286.542 Base-Backbone interact. energy: -0.411 local terms energy: -500.835231 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -118.359 flat angles C4'-P-C4' energy: -123.567 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -38.173 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: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -741.149389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.149389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.149389 (E_RNA) where: Base-Base interactions energy: -324.402 where: short stacking energy: -184.408 Base-Backbone interact. energy: -1.769 local terms energy: -414.978833 where: bonds (distance) C4'-P energy: -102.205 bonds (distance) P-C4' energy: -152.150 flat angles C4'-P-C4' energy: -110.277 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: 7.991 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: 10, replica: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -586.476239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.476239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.476239 (E_RNA) where: Base-Base interactions energy: -197.634 where: short stacking energy: -138.895 Base-Backbone interact. energy: -1.676 local terms energy: -387.166052 where: bonds (distance) C4'-P energy: -118.086 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -117.046 flat angles P-C4'-P energy: -68.978 tors. eta vs tors. theta energy: 41.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2635.216539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.216539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.216539 (E_RNA) where: Base-Base interactions energy: -1799.468 where: short stacking energy: -751.284 Base-Backbone interact. energy: -5.570 local terms energy: -830.178858 where: bonds (distance) C4'-P energy: -159.013 bonds (distance) P-C4' energy: -154.605 flat angles C4'-P-C4' energy: -170.370 flat angles P-C4'-P energy: -122.653 tors. eta vs tors. theta energy: -223.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2522.290751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.290751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.290751 (E_RNA) where: Base-Base interactions energy: -1712.415 where: short stacking energy: -732.622 Base-Backbone interact. energy: 0.236 local terms energy: -810.111410 where: bonds (distance) C4'-P energy: -142.926 bonds (distance) P-C4' energy: -142.373 flat angles C4'-P-C4' energy: -177.653 flat angles P-C4'-P energy: -113.891 tors. eta vs tors. theta energy: -233.269 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: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2442.392364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.392364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.392364 (E_RNA) where: Base-Base interactions energy: -1688.131 where: short stacking energy: -700.045 Base-Backbone interact. energy: -1.874 local terms energy: -752.387308 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -161.307 flat angles P-C4'-P energy: -102.566 tors. eta vs tors. theta energy: -207.144 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: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2172.327036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.327036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.327036 (E_RNA) where: Base-Base interactions energy: -1449.255 where: short stacking energy: -633.579 Base-Backbone interact. energy: -3.355 local terms energy: -719.717996 where: bonds (distance) C4'-P energy: -125.621 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -160.189 flat angles P-C4'-P energy: -108.663 tors. eta vs tors. theta energy: -195.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2189.036531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.036531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.036531 (E_RNA) where: Base-Base interactions energy: -1536.009 where: short stacking energy: -637.869 Base-Backbone interact. energy: -3.982 local terms energy: -649.045394 where: bonds (distance) C4'-P energy: -118.057 bonds (distance) P-C4' energy: -119.914 flat angles C4'-P-C4' energy: -160.906 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -177.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2055.753700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.753700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.753700 (E_RNA) where: Base-Base interactions energy: -1347.544 where: short stacking energy: -580.499 Base-Backbone interact. energy: -5.227 local terms energy: -702.982497 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -147.805 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -96.261 tors. eta vs tors. theta energy: -162.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1861.929492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.929492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.929492 (E_RNA) where: Base-Base interactions energy: -1238.732 where: short stacking energy: -541.209 Base-Backbone interact. energy: 0.549 local terms energy: -623.746518 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -139.865 flat angles C4'-P-C4' energy: -144.659 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -143.114 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: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1031.792762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.792762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.792762 (E_RNA) where: Base-Base interactions energy: -570.494 where: short stacking energy: -285.721 Base-Backbone interact. energy: 1.807 local terms energy: -463.106040 where: bonds (distance) C4'-P energy: -119.099 bonds (distance) P-C4' energy: -134.316 flat angles C4'-P-C4' energy: -108.308 flat angles P-C4'-P energy: -63.850 tors. eta vs tors. theta energy: -37.533 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: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -748.557824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.557824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.557824 (E_RNA) where: Base-Base interactions energy: -315.026 where: short stacking energy: -208.433 Base-Backbone interact. energy: 2.456 local terms energy: -435.988613 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -136.970 flat angles C4'-P-C4' energy: -99.934 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: 11.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -631.051027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.051027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.051027 (E_RNA) where: Base-Base interactions energy: -251.772 where: short stacking energy: -182.227 Base-Backbone interact. energy: 0.955 local terms energy: -380.233891 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -81.662 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: 6.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2633.149853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.149853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.149853 (E_RNA) where: Base-Base interactions energy: -1787.703 where: short stacking energy: -752.649 Base-Backbone interact. energy: -4.775 local terms energy: -840.671906 where: bonds (distance) C4'-P energy: -156.172 bonds (distance) P-C4' energy: -152.709 flat angles C4'-P-C4' energy: -180.381 flat angles P-C4'-P energy: -122.197 tors. eta vs tors. theta energy: -229.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2550.349844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.349844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.349844 (E_RNA) where: Base-Base interactions energy: -1730.511 where: short stacking energy: -743.353 Base-Backbone interact. energy: -4.980 local terms energy: -814.857925 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -137.704 flat angles C4'-P-C4' energy: -178.428 flat angles P-C4'-P energy: -108.014 tors. eta vs tors. theta energy: -242.462 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2429.537202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.537202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.537202 (E_RNA) where: Base-Base interactions energy: -1658.368 where: short stacking energy: -676.753 Base-Backbone interact. energy: 1.569 local terms energy: -772.738069 where: bonds (distance) C4'-P energy: -149.418 bonds (distance) P-C4' energy: -152.814 flat angles C4'-P-C4' energy: -159.871 flat angles P-C4'-P energy: -107.436 tors. eta vs tors. theta energy: -203.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2204.398274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.398274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.398274 (E_RNA) where: Base-Base interactions energy: -1466.090 where: short stacking energy: -633.291 Base-Backbone interact. energy: -1.994 local terms energy: -736.313788 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -159.295 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -188.683 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: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2148.318352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.318352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.318352 (E_RNA) where: Base-Base interactions energy: -1487.037 where: short stacking energy: -596.949 Base-Backbone interact. energy: 0.404 local terms energy: -661.685354 where: bonds (distance) C4'-P energy: -130.198 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -143.827 flat angles P-C4'-P energy: -100.687 tors. eta vs tors. theta energy: -168.917 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1985.504826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.504826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.504826 (E_RNA) where: Base-Base interactions energy: -1306.158 where: short stacking energy: -578.891 Base-Backbone interact. energy: -1.474 local terms energy: -677.871947 where: bonds (distance) C4'-P energy: -132.408 bonds (distance) P-C4' energy: -148.411 flat angles C4'-P-C4' energy: -147.111 flat angles P-C4'-P energy: -86.170 tors. eta vs tors. theta energy: -163.772 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: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1841.042544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.042544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.042544 (E_RNA) where: Base-Base interactions energy: -1220.082 where: short stacking energy: -502.383 Base-Backbone interact. energy: 0.590 local terms energy: -621.550416 where: bonds (distance) C4'-P energy: -130.953 bonds (distance) P-C4' energy: -130.809 flat angles C4'-P-C4' energy: -145.739 flat angles P-C4'-P energy: -94.043 tors. eta vs tors. theta energy: -120.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1063.832180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.832180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.832180 (E_RNA) where: Base-Base interactions energy: -598.183 where: short stacking energy: -300.430 Base-Backbone interact. energy: -2.336 local terms energy: -463.313648 where: bonds (distance) C4'-P energy: -118.833 bonds (distance) P-C4' energy: -134.981 flat angles C4'-P-C4' energy: -127.508 flat angles P-C4'-P energy: -62.597 tors. eta vs tors. theta energy: -19.395 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: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -692.500428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.500428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.500428 (E_RNA) where: Base-Base interactions energy: -292.329 where: short stacking energy: -148.294 Base-Backbone interact. energy: -4.119 local terms energy: -396.051937 where: bonds (distance) C4'-P energy: -122.814 bonds (distance) P-C4' energy: -136.160 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -62.906 tors. eta vs tors. theta energy: 36.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -660.336974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.336974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.336974 (E_RNA) where: Base-Base interactions energy: -274.272 where: short stacking energy: -166.022 Base-Backbone interact. energy: 10.414 local terms energy: -396.479243 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -130.844 flat angles C4'-P-C4' energy: -121.469 flat angles P-C4'-P energy: -75.484 tors. eta vs tors. theta energy: 29.815 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: 315 Temperature: 0.900000 Total energy: -2656.044489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.044489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.044489 (E_RNA) where: Base-Base interactions energy: -1818.276 where: short stacking energy: -746.662 Base-Backbone interact. energy: -3.166 local terms energy: -834.602260 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -161.772 flat angles C4'-P-C4' energy: -172.886 flat angles P-C4'-P energy: -115.267 tors. eta vs tors. theta energy: -241.626 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: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2579.923265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.923265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.923265 (E_RNA) where: Base-Base interactions energy: -1748.064 where: short stacking energy: -748.085 Base-Backbone interact. energy: -2.622 local terms energy: -829.236841 where: bonds (distance) C4'-P energy: -164.819 bonds (distance) P-C4' energy: -147.221 flat angles C4'-P-C4' energy: -166.219 flat angles P-C4'-P energy: -114.157 tors. eta vs tors. theta energy: -236.821 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: 315 Temperature: 1.000000 Total energy: -2415.427359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.427359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.427359 (E_RNA) where: Base-Base interactions energy: -1634.953 where: short stacking energy: -671.543 Base-Backbone interact. energy: 0.182 local terms energy: -780.655860 where: bonds (distance) C4'-P energy: -130.823 bonds (distance) P-C4' energy: -160.262 flat angles C4'-P-C4' energy: -173.390 flat angles P-C4'-P energy: -104.524 tors. eta vs tors. theta energy: -211.657 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: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2242.046997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.046997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.046997 (E_RNA) where: Base-Base interactions energy: -1525.903 where: short stacking energy: -618.440 Base-Backbone interact. energy: -2.247 local terms energy: -713.896648 where: bonds (distance) C4'-P energy: -130.826 bonds (distance) P-C4' energy: -137.541 flat angles C4'-P-C4' energy: -178.062 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -175.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2149.970400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.970400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.970400 (E_RNA) where: Base-Base interactions energy: -1445.056 where: short stacking energy: -611.901 Base-Backbone interact. energy: -0.978 local terms energy: -703.936951 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -187.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2037.863130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.863130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.863130 (E_RNA) where: Base-Base interactions energy: -1357.895 where: short stacking energy: -558.968 Base-Backbone interact. energy: -1.480 local terms energy: -678.488964 where: bonds (distance) C4'-P energy: -119.542 bonds (distance) P-C4' energy: -141.161 flat angles C4'-P-C4' energy: -134.537 flat angles P-C4'-P energy: -109.641 tors. eta vs tors. theta energy: -173.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1710.462145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.462145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.462145 (E_RNA) where: Base-Base interactions energy: -1105.875 where: short stacking energy: -465.988 Base-Backbone interact. energy: 1.391 local terms energy: -605.978066 where: bonds (distance) C4'-P energy: -119.443 bonds (distance) P-C4' energy: -138.655 flat angles C4'-P-C4' energy: -146.250 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -96.390 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: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1061.176667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.176667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.176667 (E_RNA) where: Base-Base interactions energy: -618.446 where: short stacking energy: -289.023 Base-Backbone interact. energy: -0.657 local terms energy: -442.073655 where: bonds (distance) C4'-P energy: -124.701 bonds (distance) P-C4' energy: -129.169 flat angles C4'-P-C4' energy: -97.703 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -24.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -755.728904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.728904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.728904 (E_RNA) where: Base-Base interactions energy: -317.946 where: short stacking energy: -198.022 Base-Backbone interact. energy: 0.261 local terms energy: -438.043656 where: bonds (distance) C4'-P energy: -131.730 bonds (distance) P-C4' energy: -132.041 flat angles C4'-P-C4' energy: -94.646 flat angles P-C4'-P energy: -69.776 tors. eta vs tors. theta energy: -9.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -702.432363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.432363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.432363 (E_RNA) where: Base-Base interactions energy: -330.878 where: short stacking energy: -209.777 Base-Backbone interact. energy: 0.756 local terms energy: -372.310646 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -132.260 flat angles C4'-P-C4' energy: -97.448 flat angles P-C4'-P energy: -62.854 tors. eta vs tors. theta energy: 17.270 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: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2622.327789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.327789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.327789 (E_RNA) where: Base-Base interactions energy: -1792.312 where: short stacking energy: -776.550 Base-Backbone interact. energy: -2.941 local terms energy: -827.074678 where: bonds (distance) C4'-P energy: -148.287 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -175.605 flat angles P-C4'-P energy: -123.052 tors. eta vs tors. theta energy: -247.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2585.073042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.073042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.073042 (E_RNA) where: Base-Base interactions energy: -1787.711 where: short stacking energy: -735.461 Base-Backbone interact. energy: 2.271 local terms energy: -799.633487 where: bonds (distance) C4'-P energy: -142.673 bonds (distance) P-C4' energy: -155.360 flat angles C4'-P-C4' energy: -178.721 flat angles P-C4'-P energy: -94.637 tors. eta vs tors. theta energy: -228.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2413.892200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.892200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.892200 (E_RNA) where: Base-Base interactions energy: -1677.921 where: short stacking energy: -716.551 Base-Backbone interact. energy: -2.301 local terms energy: -733.670319 where: bonds (distance) C4'-P energy: -145.938 bonds (distance) P-C4' energy: -132.200 flat angles C4'-P-C4' energy: -159.726 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -204.408 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: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2234.397903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.397903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.397903 (E_RNA) where: Base-Base interactions energy: -1532.769 where: short stacking energy: -620.914 Base-Backbone interact. energy: 3.518 local terms energy: -705.147057 where: bonds (distance) C4'-P energy: -132.987 bonds (distance) P-C4' energy: -131.472 flat angles C4'-P-C4' energy: -164.212 flat angles P-C4'-P energy: -102.150 tors. eta vs tors. theta energy: -174.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2144.545388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.545388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.545388 (E_RNA) where: Base-Base interactions energy: -1468.888 where: short stacking energy: -619.044 Base-Backbone interact. energy: -2.750 local terms energy: -672.907983 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -141.283 flat angles P-C4'-P energy: -92.904 tors. eta vs tors. theta energy: -189.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2012.000096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.000096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.000096 (E_RNA) where: Base-Base interactions energy: -1346.394 where: short stacking energy: -579.847 Base-Backbone interact. energy: -2.650 local terms energy: -662.956075 where: bonds (distance) C4'-P energy: -119.879 bonds (distance) P-C4' energy: -127.852 flat angles C4'-P-C4' energy: -151.162 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -168.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1698.100205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.100205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.100205 (E_RNA) where: Base-Base interactions energy: -1078.775 where: short stacking energy: -445.397 Base-Backbone interact. energy: -2.448 local terms energy: -616.876970 where: bonds (distance) C4'-P energy: -105.555 bonds (distance) P-C4' energy: -139.049 flat angles C4'-P-C4' energy: -145.203 flat angles P-C4'-P energy: -95.244 tors. eta vs tors. theta energy: -131.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -994.425383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.425383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.425383 (E_RNA) where: Base-Base interactions energy: -475.986 where: short stacking energy: -294.086 Base-Backbone interact. energy: 2.896 local terms energy: -521.336147 where: bonds (distance) C4'-P energy: -132.106 bonds (distance) P-C4' energy: -136.863 flat angles C4'-P-C4' energy: -130.845 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -29.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -727.503027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.503027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.503027 (E_RNA) where: Base-Base interactions energy: -340.639 where: short stacking energy: -202.813 Base-Backbone interact. energy: 6.427 local terms energy: -393.290922 where: bonds (distance) C4'-P energy: -94.970 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -113.138 flat angles P-C4'-P energy: -50.767 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: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -643.006517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.006517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.006517 (E_RNA) where: Base-Base interactions energy: -278.183 where: short stacking energy: -167.982 Base-Backbone interact. energy: -0.367 local terms energy: -364.456002 where: bonds (distance) C4'-P energy: -106.435 bonds (distance) P-C4' energy: -129.652 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -63.187 tors. eta vs tors. theta energy: 23.596 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: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2617.754816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.754816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.754816 (E_RNA) where: Base-Base interactions energy: -1789.516 where: short stacking energy: -757.274 Base-Backbone interact. energy: -2.890 local terms energy: -825.349023 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -150.093 flat angles C4'-P-C4' energy: -173.616 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -240.956 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: 317 Temperature: 0.950000 Total energy: -2597.618894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.618894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.618894 (E_RNA) where: Base-Base interactions energy: -1773.267 where: short stacking energy: -726.549 Base-Backbone interact. energy: -3.787 local terms energy: -820.564905 where: bonds (distance) C4'-P energy: -137.484 bonds (distance) P-C4' energy: -160.093 flat angles C4'-P-C4' energy: -170.448 flat angles P-C4'-P energy: -125.470 tors. eta vs tors. theta energy: -227.070 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2424.933687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.933687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.933687 (E_RNA) where: Base-Base interactions energy: -1633.113 where: short stacking energy: -687.937 Base-Backbone interact. energy: -1.274 local terms energy: -790.547156 where: bonds (distance) C4'-P energy: -149.688 bonds (distance) P-C4' energy: -152.659 flat angles C4'-P-C4' energy: -168.423 flat angles P-C4'-P energy: -104.170 tors. eta vs tors. theta energy: -215.607 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: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2268.143223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.143223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.143223 (E_RNA) where: Base-Base interactions energy: -1548.289 where: short stacking energy: -637.320 Base-Backbone interact. energy: 1.088 local terms energy: -720.942458 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -147.567 flat angles C4'-P-C4' energy: -171.215 flat angles P-C4'-P energy: -101.629 tors. eta vs tors. theta energy: -172.633 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: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2079.449390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.449390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.449390 (E_RNA) where: Base-Base interactions energy: -1420.722 where: short stacking energy: -610.350 Base-Backbone interact. energy: 4.032 local terms energy: -662.759513 where: bonds (distance) C4'-P energy: -138.633 bonds (distance) P-C4' energy: -134.549 flat angles C4'-P-C4' energy: -139.078 flat angles P-C4'-P energy: -79.980 tors. eta vs tors. theta energy: -170.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2020.960684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.960684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.960684 (E_RNA) where: Base-Base interactions energy: -1341.677 where: short stacking energy: -585.868 Base-Backbone interact. energy: -1.375 local terms energy: -677.908232 where: bonds (distance) C4'-P energy: -130.417 bonds (distance) P-C4' energy: -141.362 flat angles C4'-P-C4' energy: -146.512 flat angles P-C4'-P energy: -103.599 tors. eta vs tors. theta energy: -156.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1678.849996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.849996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.849996 (E_RNA) where: Base-Base interactions energy: -1094.562 where: short stacking energy: -476.690 Base-Backbone interact. energy: -1.794 local terms energy: -582.494644 where: bonds (distance) C4'-P energy: -124.302 bonds (distance) P-C4' energy: -137.844 flat angles C4'-P-C4' energy: -139.692 flat angles P-C4'-P energy: -74.282 tors. eta vs tors. theta energy: -106.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -990.869441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.869441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.869441 (E_RNA) where: Base-Base interactions energy: -525.118 where: short stacking energy: -272.142 Base-Backbone interact. energy: -1.816 local terms energy: -463.935861 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -18.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -735.809488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.809488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.809488 (E_RNA) where: Base-Base interactions energy: -313.642 where: short stacking energy: -181.560 Base-Backbone interact. energy: -0.158 local terms energy: -422.009298 where: bonds (distance) C4'-P energy: -133.508 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -99.611 flat angles P-C4'-P energy: -53.728 tors. eta vs tors. theta energy: 1.493 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -722.898268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.898268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.898268 (E_RNA) where: Base-Base interactions energy: -323.739 where: short stacking energy: -191.230 Base-Backbone interact. energy: 0.212 local terms energy: -399.370536 where: bonds (distance) C4'-P energy: -117.805 bonds (distance) P-C4' energy: -143.011 flat angles C4'-P-C4' energy: -105.589 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: 9.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2631.851216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.851216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.851216 (E_RNA) where: Base-Base interactions energy: -1821.795 where: short stacking energy: -773.743 Base-Backbone interact. energy: -4.595 local terms energy: -805.461442 where: bonds (distance) C4'-P energy: -155.567 bonds (distance) P-C4' energy: -146.803 flat angles C4'-P-C4' energy: -156.753 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -237.107 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: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2550.456609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.456609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.456609 (E_RNA) where: Base-Base interactions energy: -1748.850 where: short stacking energy: -739.402 Base-Backbone interact. energy: -4.161 local terms energy: -797.445533 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -159.751 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -105.718 tors. eta vs tors. theta energy: -231.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2418.979817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.979817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.979817 (E_RNA) where: Base-Base interactions energy: -1677.589 where: short stacking energy: -713.315 Base-Backbone interact. energy: -3.864 local terms energy: -737.526479 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -158.042 flat angles P-C4'-P energy: -96.742 tors. eta vs tors. theta energy: -213.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2239.870521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.870521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.870521 (E_RNA) where: Base-Base interactions energy: -1561.714 where: short stacking energy: -637.673 Base-Backbone interact. energy: -4.009 local terms energy: -674.147518 where: bonds (distance) C4'-P energy: -118.227 bonds (distance) P-C4' energy: -140.378 flat angles C4'-P-C4' energy: -140.069 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -175.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2076.717458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.717458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.717458 (E_RNA) where: Base-Base interactions energy: -1368.509 where: short stacking energy: -584.330 Base-Backbone interact. energy: 0.263 local terms energy: -708.471371 where: bonds (distance) C4'-P energy: -120.769 bonds (distance) P-C4' energy: -147.509 flat angles C4'-P-C4' energy: -159.403 flat angles P-C4'-P energy: -94.542 tors. eta vs tors. theta energy: -186.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2052.863824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.863824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.863824 (E_RNA) where: Base-Base interactions energy: -1386.013 where: short stacking energy: -561.684 Base-Backbone interact. energy: 1.494 local terms energy: -668.344313 where: bonds (distance) C4'-P energy: -149.254 bonds (distance) P-C4' energy: -137.064 flat angles C4'-P-C4' energy: -132.900 flat angles P-C4'-P energy: -89.572 tors. eta vs tors. theta energy: -159.554 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: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1723.268096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.268096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.268096 (E_RNA) where: Base-Base interactions energy: -1104.329 where: short stacking energy: -469.701 Base-Backbone interact. energy: 3.309 local terms energy: -622.248140 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -132.893 flat angles C4'-P-C4' energy: -134.410 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -127.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1032.880175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.880175 (E_RNA) where: Base-Base interactions energy: -555.528 where: short stacking energy: -299.585 Base-Backbone interact. energy: 2.626 local terms energy: -479.978017 where: bonds (distance) C4'-P energy: -102.567 bonds (distance) P-C4' energy: -132.222 flat angles C4'-P-C4' energy: -126.253 flat angles P-C4'-P energy: -77.488 tors. eta vs tors. theta energy: -41.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -767.790800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.790800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.790800 (E_RNA) where: Base-Base interactions energy: -340.148 where: short stacking energy: -204.593 Base-Backbone interact. energy: 0.559 local terms energy: -428.201235 where: bonds (distance) C4'-P energy: -121.229 bonds (distance) P-C4' energy: -133.891 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -61.124 tors. eta vs tors. theta energy: 2.630 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: 318 Temperature: 1.350000 Total energy: -618.028221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.028221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.028221 (E_RNA) where: Base-Base interactions energy: -223.963 where: short stacking energy: -158.766 Base-Backbone interact. energy: 5.354 local terms energy: -399.420004 where: bonds (distance) C4'-P energy: -119.797 bonds (distance) P-C4' energy: -121.503 flat angles C4'-P-C4' energy: -125.591 flat angles P-C4'-P energy: -63.616 tors. eta vs tors. theta energy: 31.087 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: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2638.031625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.031625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.031625 (E_RNA) where: Base-Base interactions energy: -1807.614 where: short stacking energy: -771.659 Base-Backbone interact. energy: -4.600 local terms energy: -825.818020 where: bonds (distance) C4'-P energy: -156.177 bonds (distance) P-C4' energy: -139.822 flat angles C4'-P-C4' energy: -181.345 flat angles P-C4'-P energy: -115.281 tors. eta vs tors. theta energy: -233.193 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: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2550.186601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.186601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.186601 (E_RNA) where: Base-Base interactions energy: -1742.279 where: short stacking energy: -759.624 Base-Backbone interact. energy: -3.453 local terms energy: -804.454489 where: bonds (distance) C4'-P energy: -142.129 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -158.822 flat angles P-C4'-P energy: -113.086 tors. eta vs tors. theta energy: -241.803 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: 319 Temperature: 1.000000 Total energy: -2431.247646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.247646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.247646 (E_RNA) where: Base-Base interactions energy: -1686.858 where: short stacking energy: -693.236 Base-Backbone interact. energy: -2.622 local terms energy: -741.766839 where: bonds (distance) C4'-P energy: -131.422 bonds (distance) P-C4' energy: -143.722 flat angles C4'-P-C4' energy: -157.373 flat angles P-C4'-P energy: -106.704 tors. eta vs tors. theta energy: -202.546 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: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2258.944613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.944613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.944613 (E_RNA) where: Base-Base interactions energy: -1556.874 where: short stacking energy: -652.821 Base-Backbone interact. energy: -1.517 local terms energy: -700.553631 where: bonds (distance) C4'-P energy: -123.974 bonds (distance) P-C4' energy: -146.452 flat angles C4'-P-C4' energy: -152.140 flat angles P-C4'-P energy: -91.453 tors. eta vs tors. theta energy: -186.535 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: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2086.500541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.500541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.500541 (E_RNA) where: Base-Base interactions energy: -1369.810 where: short stacking energy: -602.761 Base-Backbone interact. energy: 0.502 local terms energy: -717.192765 where: bonds (distance) C4'-P energy: -144.090 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -159.719 flat angles P-C4'-P energy: -98.314 tors. eta vs tors. theta energy: -176.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2034.539525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.539525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.539525 (E_RNA) where: Base-Base interactions energy: -1392.427 where: short stacking energy: -595.918 Base-Backbone interact. energy: -2.131 local terms energy: -639.982086 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -117.492 flat angles C4'-P-C4' energy: -154.901 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -171.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1749.913606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.913606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.913606 (E_RNA) where: Base-Base interactions energy: -1140.477 where: short stacking energy: -493.862 Base-Backbone interact. energy: -2.723 local terms energy: -606.713996 where: bonds (distance) C4'-P energy: -120.481 bonds (distance) P-C4' energy: -135.430 flat angles C4'-P-C4' energy: -144.193 flat angles P-C4'-P energy: -84.001 tors. eta vs tors. theta energy: -122.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -988.527448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.527448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.527448 (E_RNA) where: Base-Base interactions energy: -545.149 where: short stacking energy: -291.112 Base-Backbone interact. energy: -2.788 local terms energy: -440.590512 where: bonds (distance) C4'-P energy: -122.905 bonds (distance) P-C4' energy: -111.788 flat angles C4'-P-C4' energy: -115.413 flat angles P-C4'-P energy: -71.857 tors. eta vs tors. theta energy: -18.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -824.220345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.220345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.220345 (E_RNA) where: Base-Base interactions energy: -387.891 where: short stacking energy: -200.984 Base-Backbone interact. energy: 2.624 local terms energy: -438.954186 where: bonds (distance) C4'-P energy: -126.484 bonds (distance) P-C4' energy: -112.250 flat angles C4'-P-C4' energy: -119.482 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: 8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -580.455796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.455796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.455796 (E_RNA) where: Base-Base interactions energy: -191.992 where: short stacking energy: -148.611 Base-Backbone interact. energy: -1.550 local terms energy: -386.914501 where: bonds (distance) C4'-P energy: -115.991 bonds (distance) P-C4' energy: -132.208 flat angles C4'-P-C4' energy: -103.421 flat angles P-C4'-P energy: -58.142 tors. eta vs tors. theta energy: 22.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2654.449011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.449011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.449011 (E_RNA) where: Base-Base interactions energy: -1828.560 where: short stacking energy: -756.790 Base-Backbone interact. energy: -5.814 local terms energy: -820.074716 where: bonds (distance) C4'-P energy: -158.107 bonds (distance) P-C4' energy: -143.924 flat angles C4'-P-C4' energy: -171.269 flat angles P-C4'-P energy: -113.348 tors. eta vs tors. theta energy: -233.426 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: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2588.396360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.396360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.396360 (E_RNA) where: Base-Base interactions energy: -1768.431 where: short stacking energy: -749.342 Base-Backbone interact. energy: -4.214 local terms energy: -815.750764 where: bonds (distance) C4'-P energy: -141.620 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -181.507 flat angles P-C4'-P energy: -103.504 tors. eta vs tors. theta energy: -241.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2418.690743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.690743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.690743 (E_RNA) where: Base-Base interactions energy: -1681.275 where: short stacking energy: -693.711 Base-Backbone interact. energy: -2.275 local terms energy: -735.140533 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -140.489 flat angles C4'-P-C4' energy: -152.939 flat angles P-C4'-P energy: -112.212 tors. eta vs tors. theta energy: -197.351 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: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2287.894573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.894573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.894573 (E_RNA) where: Base-Base interactions energy: -1555.622 where: short stacking energy: -642.494 Base-Backbone interact. energy: 0.293 local terms energy: -732.565171 where: bonds (distance) C4'-P energy: -146.935 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -162.408 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -187.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2080.604916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.604916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.604916 (E_RNA) where: Base-Base interactions energy: -1388.637 where: short stacking energy: -612.738 Base-Backbone interact. energy: 0.439 local terms energy: -692.406574 where: bonds (distance) C4'-P energy: -135.086 bonds (distance) P-C4' energy: -151.985 flat angles C4'-P-C4' energy: -149.439 flat angles P-C4'-P energy: -95.409 tors. eta vs tors. theta energy: -160.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1996.850401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.850401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.850401 (E_RNA) where: Base-Base interactions energy: -1276.719 where: short stacking energy: -551.065 Base-Backbone interact. energy: -0.709 local terms energy: -719.421556 where: bonds (distance) C4'-P energy: -151.368 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -163.632 flat angles P-C4'-P energy: -93.802 tors. eta vs tors. theta energy: -164.941 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: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1762.280964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.280964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.280964 (E_RNA) where: Base-Base interactions energy: -1132.353 where: short stacking energy: -484.200 Base-Backbone interact. energy: -1.356 local terms energy: -628.572040 where: bonds (distance) C4'-P energy: -111.518 bonds (distance) P-C4' energy: -144.454 flat angles C4'-P-C4' energy: -141.077 flat angles P-C4'-P energy: -98.892 tors. eta vs tors. theta energy: -132.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -962.265723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.265723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.265723 (E_RNA) where: Base-Base interactions energy: -474.342 where: short stacking energy: -262.146 Base-Backbone interact. energy: 1.502 local terms energy: -489.425734 where: bonds (distance) C4'-P energy: -111.764 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -126.609 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -34.200 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: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -808.314218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.314218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.314218 (E_RNA) where: Base-Base interactions energy: -336.104 where: short stacking energy: -205.515 Base-Backbone interact. energy: -1.655 local terms energy: -470.554721 where: bonds (distance) C4'-P energy: -130.160 bonds (distance) P-C4' energy: -137.791 flat angles C4'-P-C4' energy: -107.949 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -17.082 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: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -604.461437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.461437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.461437 (E_RNA) where: Base-Base interactions energy: -237.532 where: short stacking energy: -173.371 Base-Backbone interact. energy: -1.407 local terms energy: -365.523209 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -133.300 flat angles C4'-P-C4' energy: -108.114 flat angles P-C4'-P energy: -45.735 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: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2650.119379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.119379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.119379 (E_RNA) where: Base-Base interactions energy: -1819.039 where: short stacking energy: -752.215 Base-Backbone interact. energy: -5.573 local terms energy: -825.507149 where: bonds (distance) C4'-P energy: -151.504 bonds (distance) P-C4' energy: -157.575 flat angles C4'-P-C4' energy: -169.483 flat angles P-C4'-P energy: -106.320 tors. eta vs tors. theta energy: -240.625 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: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2582.896930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.896930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.896930 (E_RNA) where: Base-Base interactions energy: -1761.790 where: short stacking energy: -754.360 Base-Backbone interact. energy: -5.579 local terms energy: -815.528226 where: bonds (distance) C4'-P energy: -148.151 bonds (distance) P-C4' energy: -146.913 flat angles C4'-P-C4' energy: -175.184 flat angles P-C4'-P energy: -121.352 tors. eta vs tors. theta energy: -223.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2408.796836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.796836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.796836 (E_RNA) where: Base-Base interactions energy: -1621.887 where: short stacking energy: -680.032 Base-Backbone interact. energy: -0.955 local terms energy: -785.954943 where: bonds (distance) C4'-P energy: -158.420 bonds (distance) P-C4' energy: -153.855 flat angles C4'-P-C4' energy: -163.063 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -208.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2352.098983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.098983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.098983 (E_RNA) where: Base-Base interactions energy: -1610.409 where: short stacking energy: -680.554 Base-Backbone interact. energy: 0.120 local terms energy: -741.809845 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -119.064 flat angles C4'-P-C4' energy: -150.682 flat angles P-C4'-P energy: -110.378 tors. eta vs tors. theta energy: -209.411 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: 321 Temperature: 1.100000 Total energy: -2131.712636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.712636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.712636 (E_RNA) where: Base-Base interactions energy: -1417.012 where: short stacking energy: -617.297 Base-Backbone interact. energy: -2.289 local terms energy: -712.410775 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -144.405 flat angles C4'-P-C4' energy: -165.051 flat angles P-C4'-P energy: -108.968 tors. eta vs tors. theta energy: -156.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1875.833048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.833048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.833048 (E_RNA) where: Base-Base interactions energy: -1231.198 where: short stacking energy: -542.747 Base-Backbone interact. energy: -4.010 local terms energy: -640.624357 where: bonds (distance) C4'-P energy: -136.071 bonds (distance) P-C4' energy: -141.783 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -142.954 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: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1796.721739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.721739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.721739 (E_RNA) where: Base-Base interactions energy: -1196.050 where: short stacking energy: -512.658 Base-Backbone interact. energy: 3.284 local terms energy: -603.955869 where: bonds (distance) C4'-P energy: -120.008 bonds (distance) P-C4' energy: -137.535 flat angles C4'-P-C4' energy: -125.934 flat angles P-C4'-P energy: -96.200 tors. eta vs tors. theta energy: -124.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1001.605837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.605837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.605837 (E_RNA) where: Base-Base interactions energy: -549.130 where: short stacking energy: -256.040 Base-Backbone interact. energy: -1.382 local terms energy: -451.093910 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -124.655 flat angles C4'-P-C4' energy: -129.899 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -12.711 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -774.530937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.530937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.530937 (E_RNA) where: Base-Base interactions energy: -343.014 where: short stacking energy: -192.862 Base-Backbone interact. energy: -2.051 local terms energy: -429.465315 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -137.906 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -63.925 tors. eta vs tors. theta energy: 2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -591.206996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.206996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.206996 (E_RNA) where: Base-Base interactions energy: -224.844 where: short stacking energy: -156.282 Base-Backbone interact. energy: 5.431 local terms energy: -371.794670 where: bonds (distance) C4'-P energy: -133.074 bonds (distance) P-C4' energy: -122.383 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: 38.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2654.613763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.613763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.613763 (E_RNA) where: Base-Base interactions energy: -1828.713 where: short stacking energy: -776.249 Base-Backbone interact. energy: -2.047 local terms energy: -823.853733 where: bonds (distance) C4'-P energy: -150.274 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -170.193 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -232.081 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2542.634143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.634143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.634143 (E_RNA) where: Base-Base interactions energy: -1714.306 where: short stacking energy: -723.605 Base-Backbone interact. energy: -6.406 local terms energy: -821.922487 where: bonds (distance) C4'-P energy: -152.464 bonds (distance) P-C4' energy: -154.464 flat angles C4'-P-C4' energy: -168.396 flat angles P-C4'-P energy: -118.858 tors. eta vs tors. theta energy: -227.741 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: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2412.306735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.306735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.306735 (E_RNA) where: Base-Base interactions energy: -1660.282 where: short stacking energy: -679.871 Base-Backbone interact. energy: -3.674 local terms energy: -748.350351 where: bonds (distance) C4'-P energy: -142.421 bonds (distance) P-C4' energy: -139.632 flat angles C4'-P-C4' energy: -153.065 flat angles P-C4'-P energy: -114.645 tors. eta vs tors. theta energy: -198.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2304.912254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.912254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.912254 (E_RNA) where: Base-Base interactions energy: -1581.030 where: short stacking energy: -630.050 Base-Backbone interact. energy: -1.205 local terms energy: -722.677147 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -158.950 flat angles P-C4'-P energy: -90.270 tors. eta vs tors. theta energy: -196.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2130.854001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.854001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.854001 (E_RNA) where: Base-Base interactions energy: -1424.190 where: short stacking energy: -612.670 Base-Backbone interact. energy: -0.320 local terms energy: -706.344512 where: bonds (distance) C4'-P energy: -151.315 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -153.615 flat angles P-C4'-P energy: -91.551 tors. eta vs tors. theta energy: -183.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1878.344540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.344540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.344540 (E_RNA) where: Base-Base interactions energy: -1271.605 where: short stacking energy: -554.282 Base-Backbone interact. energy: 0.430 local terms energy: -607.170147 where: bonds (distance) C4'-P energy: -122.736 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -147.989 flat angles P-C4'-P energy: -79.476 tors. eta vs tors. theta energy: -139.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1811.753627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.753627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.753627 (E_RNA) where: Base-Base interactions energy: -1170.094 where: short stacking energy: -494.752 Base-Backbone interact. energy: -1.761 local terms energy: -639.899008 where: bonds (distance) C4'-P energy: -140.936 bonds (distance) P-C4' energy: -133.828 flat angles C4'-P-C4' energy: -146.596 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -132.212 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: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -983.503120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.503120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.503120 (E_RNA) where: Base-Base interactions energy: -513.692 where: short stacking energy: -256.931 Base-Backbone interact. energy: -3.373 local terms energy: -466.438422 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -127.958 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -63.488 tors. eta vs tors. theta energy: -31.765 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: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -706.614927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.614927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.614927 (E_RNA) where: Base-Base interactions energy: -310.858 where: short stacking energy: -187.670 Base-Backbone interact. energy: 1.159 local terms energy: -396.915721 where: bonds (distance) C4'-P energy: -112.396 bonds (distance) P-C4' energy: -132.416 flat angles C4'-P-C4' energy: -99.809 flat angles P-C4'-P energy: -61.454 tors. eta vs tors. theta energy: 9.160 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: 322 Temperature: 1.350000 Total energy: -571.268472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.268472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.268472 (E_RNA) where: Base-Base interactions energy: -223.932 where: short stacking energy: -169.981 Base-Backbone interact. energy: 0.405 local terms energy: -347.741519 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -131.388 flat angles C4'-P-C4' energy: -102.559 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: 39.830 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: 323 Temperature: 0.900000 Total energy: -2665.130245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.130245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.130245 (E_RNA) where: Base-Base interactions energy: -1836.034 where: short stacking energy: -768.536 Base-Backbone interact. energy: 1.917 local terms energy: -831.013192 where: bonds (distance) C4'-P energy: -147.259 bonds (distance) P-C4' energy: -153.085 flat angles C4'-P-C4' energy: -164.099 flat angles P-C4'-P energy: -131.476 tors. eta vs tors. theta energy: -235.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2531.884841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.884841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.884841 (E_RNA) where: Base-Base interactions energy: -1731.885 where: short stacking energy: -730.914 Base-Backbone interact. energy: -4.281 local terms energy: -795.718658 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -139.457 flat angles C4'-P-C4' energy: -171.240 flat angles P-C4'-P energy: -117.062 tors. eta vs tors. theta energy: -229.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2403.470571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.470571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.470571 (E_RNA) where: Base-Base interactions energy: -1648.892 where: short stacking energy: -697.468 Base-Backbone interact. energy: -4.858 local terms energy: -749.720558 where: bonds (distance) C4'-P energy: -145.045 bonds (distance) P-C4' energy: -144.316 flat angles C4'-P-C4' energy: -159.971 flat angles P-C4'-P energy: -94.378 tors. eta vs tors. theta energy: -206.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2272.651056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.651056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.651056 (E_RNA) where: Base-Base interactions energy: -1602.641 where: short stacking energy: -638.751 Base-Backbone interact. energy: -3.380 local terms energy: -666.629717 where: bonds (distance) C4'-P energy: -124.966 bonds (distance) P-C4' energy: -127.217 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -178.234 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: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2160.650602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.650602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.650602 (E_RNA) where: Base-Base interactions energy: -1470.187 where: short stacking energy: -613.636 Base-Backbone interact. energy: -0.512 local terms energy: -689.951446 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -157.322 flat angles C4'-P-C4' energy: -143.257 flat angles P-C4'-P energy: -82.657 tors. eta vs tors. theta energy: -185.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1942.125029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.125029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.125029 (E_RNA) where: Base-Base interactions energy: -1291.237 where: short stacking energy: -563.193 Base-Backbone interact. energy: 0.841 local terms energy: -651.729521 where: bonds (distance) C4'-P energy: -119.223 bonds (distance) P-C4' energy: -124.345 flat angles C4'-P-C4' energy: -153.426 flat angles P-C4'-P energy: -87.317 tors. eta vs tors. theta energy: -167.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1785.848408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.848408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.848408 (E_RNA) where: Base-Base interactions energy: -1206.679 where: short stacking energy: -509.604 Base-Backbone interact. energy: -1.778 local terms energy: -577.391279 where: bonds (distance) C4'-P energy: -110.229 bonds (distance) P-C4' energy: -136.087 flat angles C4'-P-C4' energy: -138.365 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -115.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -990.714341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.714341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.714341 (E_RNA) where: Base-Base interactions energy: -509.297 where: short stacking energy: -267.017 Base-Backbone interact. energy: -4.553 local terms energy: -476.863647 where: bonds (distance) C4'-P energy: -115.838 bonds (distance) P-C4' energy: -138.732 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -90.521 tors. eta vs tors. theta energy: -26.163 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: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -699.657476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.657476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.657476 (E_RNA) where: Base-Base interactions energy: -281.279 where: short stacking energy: -191.765 Base-Backbone interact. energy: 2.121 local terms energy: -420.498985 where: bonds (distance) C4'-P energy: -134.439 bonds (distance) P-C4' energy: -117.463 flat angles C4'-P-C4' energy: -121.037 flat angles P-C4'-P energy: -68.312 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: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -570.563819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.563819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.563819 (E_RNA) where: Base-Base interactions energy: -177.849 where: short stacking energy: -128.107 Base-Backbone interact. energy: 8.231 local terms energy: -400.945715 where: bonds (distance) C4'-P energy: -127.615 bonds (distance) P-C4' energy: -134.363 flat angles C4'-P-C4' energy: -97.619 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: 25.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2680.543138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.543138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.543138 (E_RNA) where: Base-Base interactions energy: -1841.809 where: short stacking energy: -761.605 Base-Backbone interact. energy: -3.459 local terms energy: -835.274819 where: bonds (distance) C4'-P energy: -162.886 bonds (distance) P-C4' energy: -151.092 flat angles C4'-P-C4' energy: -185.346 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -232.627 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: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2555.998697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.998697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.998697 (E_RNA) where: Base-Base interactions energy: -1778.169 where: short stacking energy: -749.621 Base-Backbone interact. energy: -2.248 local terms energy: -775.581686 where: bonds (distance) C4'-P energy: -134.729 bonds (distance) P-C4' energy: -131.329 flat angles C4'-P-C4' energy: -159.116 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -229.805 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: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2425.171794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.171794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.171794 (E_RNA) where: Base-Base interactions energy: -1634.824 where: short stacking energy: -691.655 Base-Backbone interact. energy: -3.726 local terms energy: -786.621661 where: bonds (distance) C4'-P energy: -133.578 bonds (distance) P-C4' energy: -153.962 flat angles C4'-P-C4' energy: -173.505 flat angles P-C4'-P energy: -119.217 tors. eta vs tors. theta energy: -206.359 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: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2289.037771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.037771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.037771 (E_RNA) where: Base-Base interactions energy: -1558.329 where: short stacking energy: -646.243 Base-Backbone interact. energy: 6.554 local terms energy: -737.262478 where: bonds (distance) C4'-P energy: -150.215 bonds (distance) P-C4' energy: -141.675 flat angles C4'-P-C4' energy: -157.851 flat angles P-C4'-P energy: -99.217 tors. eta vs tors. theta energy: -188.305 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: 324 Temperature: 1.100000 Total energy: -2058.346459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.346459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.346459 (E_RNA) where: Base-Base interactions energy: -1369.105 where: short stacking energy: -583.237 Base-Backbone interact. energy: -1.180 local terms energy: -688.061680 where: bonds (distance) C4'-P energy: -141.148 bonds (distance) P-C4' energy: -138.630 flat angles C4'-P-C4' energy: -144.981 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -159.806 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: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1951.382004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.382004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.382004 (E_RNA) where: Base-Base interactions energy: -1275.345 where: short stacking energy: -585.623 Base-Backbone interact. energy: 1.703 local terms energy: -677.740226 where: bonds (distance) C4'-P energy: -131.878 bonds (distance) P-C4' energy: -144.667 flat angles C4'-P-C4' energy: -140.872 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -166.735 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: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1788.109634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.109634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.109634 (E_RNA) where: Base-Base interactions energy: -1180.115 where: short stacking energy: -509.288 Base-Backbone interact. energy: 2.331 local terms energy: -610.325699 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -123.016 flat angles C4'-P-C4' energy: -142.166 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: -131.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -936.812507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.812507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.812507 (E_RNA) where: Base-Base interactions energy: -446.604 where: short stacking energy: -245.890 Base-Backbone interact. energy: 0.710 local terms energy: -490.917865 where: bonds (distance) C4'-P energy: -158.438 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -113.831 flat angles P-C4'-P energy: -75.832 tors. eta vs tors. theta energy: -11.030 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: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -710.402079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.402079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.402079 (E_RNA) where: Base-Base interactions energy: -316.466 where: short stacking energy: -195.713 Base-Backbone interact. energy: 0.282 local terms energy: -394.218109 where: bonds (distance) C4'-P energy: -110.468 bonds (distance) P-C4' energy: -134.669 flat angles C4'-P-C4' energy: -100.730 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: 11.505 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -597.548222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.548222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.548222 (E_RNA) where: Base-Base interactions energy: -233.357 where: short stacking energy: -157.830 Base-Backbone interact. energy: -2.491 local terms energy: -361.700079 where: bonds (distance) C4'-P energy: -130.515 bonds (distance) P-C4' energy: -120.265 flat angles C4'-P-C4' energy: -88.078 flat angles P-C4'-P energy: -46.545 tors. eta vs tors. theta energy: 23.703 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: 325 Temperature: 0.900000 Total energy: -2672.268501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.268501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.268501 (E_RNA) where: Base-Base interactions energy: -1857.558 where: short stacking energy: -764.348 Base-Backbone interact. energy: -4.901 local terms energy: -809.809176 where: bonds (distance) C4'-P energy: -145.270 bonds (distance) P-C4' energy: -138.326 flat angles C4'-P-C4' energy: -180.104 flat angles P-C4'-P energy: -109.849 tors. eta vs tors. theta energy: -236.260 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: 2, replica: 10 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2548.400983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.400983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.400983 (E_RNA) where: Base-Base interactions energy: -1749.540 where: short stacking energy: -754.154 Base-Backbone interact. energy: -6.141 local terms energy: -792.720278 where: bonds (distance) C4'-P energy: -149.069 bonds (distance) P-C4' energy: -146.885 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -105.741 tors. eta vs tors. theta energy: -230.442 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: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2456.458137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.458137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.458137 (E_RNA) where: Base-Base interactions energy: -1666.114 where: short stacking energy: -689.197 Base-Backbone interact. energy: -3.506 local terms energy: -786.837730 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -150.381 flat angles C4'-P-C4' energy: -178.233 flat angles P-C4'-P energy: -102.430 tors. eta vs tors. theta energy: -220.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2268.439843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.439843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.439843 (E_RNA) where: Base-Base interactions energy: -1579.576 where: short stacking energy: -652.099 Base-Backbone interact. energy: 5.710 local terms energy: -694.573613 where: bonds (distance) C4'-P energy: -119.707 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -156.646 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -189.378 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: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2005.733815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.733815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.733815 (E_RNA) where: Base-Base interactions energy: -1335.106 where: short stacking energy: -585.527 Base-Backbone interact. energy: -2.078 local terms energy: -668.548942 where: bonds (distance) C4'-P energy: -113.930 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -155.596 flat angles P-C4'-P energy: -104.887 tors. eta vs tors. theta energy: -153.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1913.390299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.390299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.390299 (E_RNA) where: Base-Base interactions energy: -1278.863 where: short stacking energy: -579.048 Base-Backbone interact. energy: -3.133 local terms energy: -631.395115 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -132.425 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -158.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1662.947633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.947633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.947633 (E_RNA) where: Base-Base interactions energy: -1074.872 where: short stacking energy: -458.006 Base-Backbone interact. energy: -3.303 local terms energy: -584.772867 where: bonds (distance) C4'-P energy: -118.904 bonds (distance) P-C4' energy: -131.691 flat angles C4'-P-C4' energy: -133.250 flat angles P-C4'-P energy: -87.858 tors. eta vs tors. theta energy: -113.070 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: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -963.023119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.023119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.023119 (E_RNA) where: Base-Base interactions energy: -534.913 where: short stacking energy: -275.072 Base-Backbone interact. energy: 2.055 local terms energy: -430.165060 where: bonds (distance) C4'-P energy: -109.970 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -96.673 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -691.152102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.152102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.152102 (E_RNA) where: Base-Base interactions energy: -304.548 where: short stacking energy: -194.560 Base-Backbone interact. energy: -0.717 local terms energy: -385.886961 where: bonds (distance) C4'-P energy: -108.622 bonds (distance) P-C4' energy: -109.819 flat angles C4'-P-C4' energy: -111.056 flat angles P-C4'-P energy: -65.335 tors. eta vs tors. theta energy: 8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -582.579767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.579767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.579767 (E_RNA) where: Base-Base interactions energy: -214.982 where: short stacking energy: -161.759 Base-Backbone interact. energy: 0.951 local terms energy: -368.549162 where: bonds (distance) C4'-P energy: -123.330 bonds (distance) P-C4' energy: -128.287 flat angles C4'-P-C4' energy: -100.742 flat angles P-C4'-P energy: -37.106 tors. eta vs tors. theta energy: 20.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2678.777150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.777150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.777150 (E_RNA) where: Base-Base interactions energy: -1837.171 where: short stacking energy: -768.168 Base-Backbone interact. energy: -5.543 local terms energy: -836.063350 where: bonds (distance) C4'-P energy: -152.992 bonds (distance) P-C4' energy: -151.521 flat angles C4'-P-C4' energy: -173.668 flat angles P-C4'-P energy: -117.501 tors. eta vs tors. theta energy: -240.382 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: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2566.047655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.047655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.047655 (E_RNA) where: Base-Base interactions energy: -1753.778 where: short stacking energy: -752.761 Base-Backbone interact. energy: -5.565 local terms energy: -806.705280 where: bonds (distance) C4'-P energy: -151.186 bonds (distance) P-C4' energy: -154.775 flat angles C4'-P-C4' energy: -161.038 flat angles P-C4'-P energy: -113.547 tors. eta vs tors. theta energy: -226.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2394.181495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.181495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.181495 (E_RNA) where: Base-Base interactions energy: -1648.984 where: short stacking energy: -701.842 Base-Backbone interact. energy: -2.650 local terms energy: -742.547329 where: bonds (distance) C4'-P energy: -159.417 bonds (distance) P-C4' energy: -134.404 flat angles C4'-P-C4' energy: -155.131 flat angles P-C4'-P energy: -88.542 tors. eta vs tors. theta energy: -205.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2266.437707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.437707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.437707 (E_RNA) where: Base-Base interactions energy: -1531.058 where: short stacking energy: -631.621 Base-Backbone interact. energy: -3.459 local terms energy: -731.920790 where: bonds (distance) C4'-P energy: -129.126 bonds (distance) P-C4' energy: -146.235 flat angles C4'-P-C4' energy: -164.975 flat angles P-C4'-P energy: -112.660 tors. eta vs tors. theta energy: -178.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2057.166929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.166929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.166929 (E_RNA) where: Base-Base interactions energy: -1386.715 where: short stacking energy: -614.950 Base-Backbone interact. energy: 0.040 local terms energy: -670.492807 where: bonds (distance) C4'-P energy: -101.672 bonds (distance) P-C4' energy: -135.543 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -110.297 tors. eta vs tors. theta energy: -170.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1888.588433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.588433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.588433 (E_RNA) where: Base-Base interactions energy: -1233.346 where: short stacking energy: -524.592 Base-Backbone interact. energy: -6.493 local terms energy: -648.749450 where: bonds (distance) C4'-P energy: -119.161 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -135.633 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -159.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1699.805478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.805478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.805478 (E_RNA) where: Base-Base interactions energy: -1104.284 where: short stacking energy: -490.058 Base-Backbone interact. energy: 0.085 local terms energy: -595.606061 where: bonds (distance) C4'-P energy: -110.359 bonds (distance) P-C4' energy: -119.983 flat angles C4'-P-C4' energy: -144.895 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -126.791 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: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1008.740856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.740856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.740856 (E_RNA) where: Base-Base interactions energy: -554.431 where: short stacking energy: -291.615 Base-Backbone interact. energy: -0.965 local terms energy: -453.344713 where: bonds (distance) C4'-P energy: -135.852 bonds (distance) P-C4' energy: -112.938 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -30.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -696.698227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.698227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.698227 (E_RNA) where: Base-Base interactions energy: -273.740 where: short stacking energy: -202.380 Base-Backbone interact. energy: 6.071 local terms energy: -429.029958 where: bonds (distance) C4'-P energy: -132.557 bonds (distance) P-C4' energy: -126.010 flat angles C4'-P-C4' energy: -104.214 flat angles P-C4'-P energy: -72.777 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: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -584.639383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.639383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.639383 (E_RNA) where: Base-Base interactions energy: -195.981 where: short stacking energy: -164.874 Base-Backbone interact. energy: -2.937 local terms energy: -385.721258 where: bonds (distance) C4'-P energy: -115.273 bonds (distance) P-C4' energy: -136.872 flat angles C4'-P-C4' energy: -92.606 flat angles P-C4'-P energy: -66.835 tors. eta vs tors. theta energy: 25.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2680.928207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.928207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.928207 (E_RNA) where: Base-Base interactions energy: -1848.612 where: short stacking energy: -798.796 Base-Backbone interact. energy: -6.322 local terms energy: -825.994767 where: bonds (distance) C4'-P energy: -154.322 bonds (distance) P-C4' energy: -152.846 flat angles C4'-P-C4' energy: -163.474 flat angles P-C4'-P energy: -117.064 tors. eta vs tors. theta energy: -238.289 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: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2612.953502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.953502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.953502 (E_RNA) where: Base-Base interactions energy: -1784.492 where: short stacking energy: -750.086 Base-Backbone interact. energy: -4.199 local terms energy: -824.261849 where: bonds (distance) C4'-P energy: -149.918 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -176.360 flat angles P-C4'-P energy: -118.216 tors. eta vs tors. theta energy: -225.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2413.035255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.035255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.035255 (E_RNA) where: Base-Base interactions energy: -1640.820 where: short stacking energy: -691.534 Base-Backbone interact. energy: 0.303 local terms energy: -772.518312 where: bonds (distance) C4'-P energy: -136.423 bonds (distance) P-C4' energy: -144.852 flat angles C4'-P-C4' energy: -166.596 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -217.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2278.340476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.340476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.340476 (E_RNA) where: Base-Base interactions energy: -1546.884 where: short stacking energy: -612.832 Base-Backbone interact. energy: -1.636 local terms energy: -729.819793 where: bonds (distance) C4'-P energy: -131.635 bonds (distance) P-C4' energy: -152.484 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -186.276 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2033.072413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.072413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.072413 (E_RNA) where: Base-Base interactions energy: -1402.033 where: short stacking energy: -604.614 Base-Backbone interact. energy: 7.400 local terms energy: -638.439525 where: bonds (distance) C4'-P energy: -123.027 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -127.463 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: -162.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1904.393190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.393190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.393190 (E_RNA) where: Base-Base interactions energy: -1240.457 where: short stacking energy: -535.563 Base-Backbone interact. energy: -1.257 local terms energy: -662.679870 where: bonds (distance) C4'-P energy: -135.075 bonds (distance) P-C4' energy: -121.766 flat angles C4'-P-C4' energy: -152.620 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -166.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1749.859995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.859995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.859995 (E_RNA) where: Base-Base interactions energy: -1169.841 where: short stacking energy: -511.535 Base-Backbone interact. energy: 13.669 local terms energy: -593.688187 where: bonds (distance) C4'-P energy: -105.930 bonds (distance) P-C4' energy: -141.666 flat angles C4'-P-C4' energy: -148.916 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -120.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1058.496410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.496410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.496410 (E_RNA) where: Base-Base interactions energy: -608.261 where: short stacking energy: -311.712 Base-Backbone interact. energy: 2.136 local terms energy: -452.371719 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -117.431 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -76.550 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: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -679.747209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.747209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.747209 (E_RNA) where: Base-Base interactions energy: -271.276 where: short stacking energy: -177.541 Base-Backbone interact. energy: -1.079 local terms energy: -407.392060 where: bonds (distance) C4'-P energy: -140.305 bonds (distance) P-C4' energy: -135.239 flat angles C4'-P-C4' energy: -93.377 flat angles P-C4'-P energy: -59.912 tors. eta vs tors. theta energy: 21.440 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: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -601.353308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.353308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.353308 (E_RNA) where: Base-Base interactions energy: -261.116 where: short stacking energy: -169.183 Base-Backbone interact. energy: 16.418 local terms energy: -356.655590 where: bonds (distance) C4'-P energy: -108.225 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -104.857 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: 26.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2656.900303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.900303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.900303 (E_RNA) where: Base-Base interactions energy: -1849.443 where: short stacking energy: -740.846 Base-Backbone interact. energy: -3.050 local terms energy: -804.407298 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -143.244 flat angles C4'-P-C4' energy: -174.700 flat angles P-C4'-P energy: -115.193 tors. eta vs tors. theta energy: -227.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2573.526924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.526924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.526924 (E_RNA) where: Base-Base interactions energy: -1748.244 where: short stacking energy: -727.871 Base-Backbone interact. energy: -3.690 local terms energy: -821.593048 where: bonds (distance) C4'-P energy: -150.570 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -176.643 flat angles P-C4'-P energy: -106.581 tors. eta vs tors. theta energy: -238.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2381.145561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.145561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.145561 (E_RNA) where: Base-Base interactions energy: -1625.901 where: short stacking energy: -673.018 Base-Backbone interact. energy: -1.065 local terms energy: -754.179711 where: bonds (distance) C4'-P energy: -141.811 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -158.767 flat angles P-C4'-P energy: -115.626 tors. eta vs tors. theta energy: -191.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2292.727450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.727450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.727450 (E_RNA) where: Base-Base interactions energy: -1595.216 where: short stacking energy: -648.025 Base-Backbone interact. energy: -2.810 local terms energy: -694.701691 where: bonds (distance) C4'-P energy: -121.508 bonds (distance) P-C4' energy: -134.535 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -186.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2056.590255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.590255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.590255 (E_RNA) where: Base-Base interactions energy: -1383.778 where: short stacking energy: -598.299 Base-Backbone interact. energy: -1.046 local terms energy: -671.766305 where: bonds (distance) C4'-P energy: -125.794 bonds (distance) P-C4' energy: -139.465 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -97.528 tors. eta vs tors. theta energy: -171.140 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: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1921.217415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.217415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.217415 (E_RNA) where: Base-Base interactions energy: -1241.289 where: short stacking energy: -536.060 Base-Backbone interact. energy: -2.350 local terms energy: -677.578863 where: bonds (distance) C4'-P energy: -130.649 bonds (distance) P-C4' energy: -141.915 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -103.935 tors. eta vs tors. theta energy: -148.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1826.489624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.489624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.489624 (E_RNA) where: Base-Base interactions energy: -1199.668 where: short stacking energy: -518.745 Base-Backbone interact. energy: -4.343 local terms energy: -622.478722 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -126.786 flat angles C4'-P-C4' energy: -148.489 flat angles P-C4'-P energy: -84.682 tors. eta vs tors. theta energy: -123.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1077.119592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.119592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.119592 (E_RNA) where: Base-Base interactions energy: -590.039 where: short stacking energy: -295.497 Base-Backbone interact. energy: -2.810 local terms energy: -484.270586 where: bonds (distance) C4'-P energy: -111.069 bonds (distance) P-C4' energy: -142.091 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -33.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -716.418675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.418675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.418675 (E_RNA) where: Base-Base interactions energy: -275.315 where: short stacking energy: -168.962 Base-Backbone interact. energy: -3.553 local terms energy: -437.551222 where: bonds (distance) C4'-P energy: -117.592 bonds (distance) P-C4' energy: -143.493 flat angles C4'-P-C4' energy: -109.872 flat angles P-C4'-P energy: -84.418 tors. eta vs tors. theta energy: 17.824 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: 328 Temperature: 1.350000 Total energy: -623.153636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.153636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.153636 (E_RNA) where: Base-Base interactions energy: -253.720 where: short stacking energy: -149.749 Base-Backbone interact. energy: 0.136 local terms energy: -369.568801 where: bonds (distance) C4'-P energy: -106.020 bonds (distance) P-C4' energy: -127.601 flat angles C4'-P-C4' energy: -100.508 flat angles P-C4'-P energy: -63.811 tors. eta vs tors. theta energy: 28.372 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: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2665.337368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.337368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.337368 (E_RNA) where: Base-Base interactions energy: -1848.226 where: short stacking energy: -770.855 Base-Backbone interact. energy: -7.096 local terms energy: -810.015920 where: bonds (distance) C4'-P energy: -129.460 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -169.278 flat angles P-C4'-P energy: -127.577 tors. eta vs tors. theta energy: -228.701 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: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2579.488067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.488067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.488067 (E_RNA) where: Base-Base interactions energy: -1769.230 where: short stacking energy: -743.749 Base-Backbone interact. energy: -2.602 local terms energy: -807.655974 where: bonds (distance) C4'-P energy: -168.458 bonds (distance) P-C4' energy: -148.592 flat angles C4'-P-C4' energy: -165.051 flat angles P-C4'-P energy: -101.421 tors. eta vs tors. theta energy: -224.134 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: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2362.114251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.114251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.114251 (E_RNA) where: Base-Base interactions energy: -1617.817 where: short stacking energy: -708.125 Base-Backbone interact. energy: -1.445 local terms energy: -742.852389 where: bonds (distance) C4'-P energy: -141.387 bonds (distance) P-C4' energy: -144.637 flat angles C4'-P-C4' energy: -157.999 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -197.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2284.544987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.544987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.544987 (E_RNA) where: Base-Base interactions energy: -1567.517 where: short stacking energy: -628.298 Base-Backbone interact. energy: -2.809 local terms energy: -714.218918 where: bonds (distance) C4'-P energy: -134.826 bonds (distance) P-C4' energy: -144.653 flat angles C4'-P-C4' energy: -150.628 flat angles P-C4'-P energy: -98.482 tors. eta vs tors. theta energy: -185.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2044.315235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.315235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.315235 (E_RNA) where: Base-Base interactions energy: -1376.149 where: short stacking energy: -577.056 Base-Backbone interact. energy: -0.947 local terms energy: -667.219290 where: bonds (distance) C4'-P energy: -142.982 bonds (distance) P-C4' energy: -129.296 flat angles C4'-P-C4' energy: -143.559 flat angles P-C4'-P energy: -91.722 tors. eta vs tors. theta energy: -159.660 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: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1925.911728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.911728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.911728 (E_RNA) where: Base-Base interactions energy: -1278.829 where: short stacking energy: -569.738 Base-Backbone interact. energy: -0.798 local terms energy: -646.285012 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -112.702 flat angles C4'-P-C4' energy: -145.787 flat angles P-C4'-P energy: -98.952 tors. eta vs tors. theta energy: -166.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1765.309626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.309626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.309626 (E_RNA) where: Base-Base interactions energy: -1150.995 where: short stacking energy: -505.703 Base-Backbone interact. energy: -3.288 local terms energy: -611.027113 where: bonds (distance) C4'-P energy: -125.271 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -153.526 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -132.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1049.324517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.324517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.324517 (E_RNA) where: Base-Base interactions energy: -564.480 where: short stacking energy: -297.225 Base-Backbone interact. energy: 1.724 local terms energy: -486.567979 where: bonds (distance) C4'-P energy: -123.392 bonds (distance) P-C4' energy: -150.462 flat angles C4'-P-C4' energy: -125.059 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -13.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -735.722430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.722430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.722430 (E_RNA) where: Base-Base interactions energy: -328.007 where: short stacking energy: -175.913 Base-Backbone interact. energy: 2.383 local terms energy: -410.098063 where: bonds (distance) C4'-P energy: -136.160 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -111.829 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: 25.018 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: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -628.594126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.594126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.594126 (E_RNA) where: Base-Base interactions energy: -245.529 where: short stacking energy: -169.302 Base-Backbone interact. energy: -1.018 local terms energy: -382.047578 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -136.675 flat angles C4'-P-C4' energy: -112.257 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: 24.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2695.727749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.727749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.727749 (E_RNA) where: Base-Base interactions energy: -1850.116 where: short stacking energy: -769.275 Base-Backbone interact. energy: -7.428 local terms energy: -838.183840 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -152.161 flat angles C4'-P-C4' energy: -166.002 flat angles P-C4'-P energy: -123.444 tors. eta vs tors. theta energy: -231.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2574.012047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.012047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.012047 (E_RNA) where: Base-Base interactions energy: -1774.410 where: short stacking energy: -739.954 Base-Backbone interact. energy: 6.528 local terms energy: -806.129758 where: bonds (distance) C4'-P energy: -142.610 bonds (distance) P-C4' energy: -137.941 flat angles C4'-P-C4' energy: -179.933 flat angles P-C4'-P energy: -111.782 tors. eta vs tors. theta energy: -233.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2415.172388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.172388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.172388 (E_RNA) where: Base-Base interactions energy: -1659.654 where: short stacking energy: -709.785 Base-Backbone interact. energy: -3.248 local terms energy: -752.270218 where: bonds (distance) C4'-P energy: -134.596 bonds (distance) P-C4' energy: -133.581 flat angles C4'-P-C4' energy: -164.851 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -212.111 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: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2304.591176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.591176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.591176 (E_RNA) where: Base-Base interactions energy: -1575.813 where: short stacking energy: -663.880 Base-Backbone interact. energy: 1.495 local terms energy: -730.273813 where: bonds (distance) C4'-P energy: -142.820 bonds (distance) P-C4' energy: -155.812 flat angles C4'-P-C4' energy: -155.063 flat angles P-C4'-P energy: -82.318 tors. eta vs tors. theta energy: -194.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2098.663226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.663226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.663226 (E_RNA) where: Base-Base interactions energy: -1428.087 where: short stacking energy: -593.584 Base-Backbone interact. energy: -0.258 local terms energy: -670.318881 where: bonds (distance) C4'-P energy: -124.982 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -102.234 tors. eta vs tors. theta energy: -169.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2019.287959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.287959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.287959 (E_RNA) where: Base-Base interactions energy: -1340.743 where: short stacking energy: -568.026 Base-Backbone interact. energy: -0.973 local terms energy: -677.572153 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -120.654 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -103.756 tors. eta vs tors. theta energy: -164.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1730.627683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.627683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.627683 (E_RNA) where: Base-Base interactions energy: -1113.541 where: short stacking energy: -470.819 Base-Backbone interact. energy: -2.519 local terms energy: -614.567557 where: bonds (distance) C4'-P energy: -143.817 bonds (distance) P-C4' energy: -140.304 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -121.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1038.369829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.369829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.369829 (E_RNA) where: Base-Base interactions energy: -574.111 where: short stacking energy: -257.967 Base-Backbone interact. energy: 0.795 local terms energy: -465.053405 where: bonds (distance) C4'-P energy: -134.257 bonds (distance) P-C4' energy: -114.034 flat angles C4'-P-C4' energy: -117.886 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -34.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -693.534536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.534536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.534536 (E_RNA) where: Base-Base interactions energy: -304.417 where: short stacking energy: -213.765 Base-Backbone interact. energy: -3.822 local terms energy: -385.295926 where: bonds (distance) C4'-P energy: -108.318 bonds (distance) P-C4' energy: -135.942 flat angles C4'-P-C4' energy: -94.319 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: 5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -677.723029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.723029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.723029 (E_RNA) where: Base-Base interactions energy: -276.429 where: short stacking energy: -167.616 Base-Backbone interact. energy: 5.075 local terms energy: -406.369467 where: bonds (distance) C4'-P energy: -107.959 bonds (distance) P-C4' energy: -141.338 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -66.893 tors. eta vs tors. theta energy: 15.837 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: 331 Temperature: 0.900000 Total energy: -2669.425516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.425516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.425516 (E_RNA) where: Base-Base interactions energy: -1844.016 where: short stacking energy: -757.834 Base-Backbone interact. energy: -6.157 local terms energy: -819.252745 where: bonds (distance) C4'-P energy: -151.753 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -186.163 flat angles P-C4'-P energy: -117.922 tors. eta vs tors. theta energy: -223.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2557.043324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.043324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.043324 (E_RNA) where: Base-Base interactions energy: -1733.056 where: short stacking energy: -750.321 Base-Backbone interact. energy: -2.675 local terms energy: -821.312206 where: bonds (distance) C4'-P energy: -140.086 bonds (distance) P-C4' energy: -153.838 flat angles C4'-P-C4' energy: -182.001 flat angles P-C4'-P energy: -112.642 tors. eta vs tors. theta energy: -232.745 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: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2397.485666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.485666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.485666 (E_RNA) where: Base-Base interactions energy: -1643.409 where: short stacking energy: -708.540 Base-Backbone interact. energy: -3.127 local terms energy: -750.949301 where: bonds (distance) C4'-P energy: -140.171 bonds (distance) P-C4' energy: -132.095 flat angles C4'-P-C4' energy: -170.783 flat angles P-C4'-P energy: -101.972 tors. eta vs tors. theta energy: -205.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2333.837135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.837135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.837135 (E_RNA) where: Base-Base interactions energy: -1604.601 where: short stacking energy: -676.081 Base-Backbone interact. energy: -0.825 local terms energy: -728.410661 where: bonds (distance) C4'-P energy: -124.339 bonds (distance) P-C4' energy: -159.540 flat angles C4'-P-C4' energy: -142.863 flat angles P-C4'-P energy: -96.266 tors. eta vs tors. theta energy: -205.403 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: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2120.436531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.436531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.436531 (E_RNA) where: Base-Base interactions energy: -1413.628 where: short stacking energy: -610.956 Base-Backbone interact. energy: -1.904 local terms energy: -704.904414 where: bonds (distance) C4'-P energy: -137.008 bonds (distance) P-C4' energy: -141.321 flat angles C4'-P-C4' energy: -152.633 flat angles P-C4'-P energy: -107.672 tors. eta vs tors. theta energy: -166.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2041.042256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.042256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.042256 (E_RNA) where: Base-Base interactions energy: -1376.063 where: short stacking energy: -579.799 Base-Backbone interact. energy: -4.949 local terms energy: -660.030592 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -128.836 flat angles C4'-P-C4' energy: -143.260 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -180.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1713.146312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.146312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.146312 (E_RNA) where: Base-Base interactions energy: -1106.959 where: short stacking energy: -485.922 Base-Backbone interact. energy: -3.257 local terms energy: -602.929854 where: bonds (distance) C4'-P energy: -121.238 bonds (distance) P-C4' energy: -135.487 flat angles C4'-P-C4' energy: -137.542 flat angles P-C4'-P energy: -98.080 tors. eta vs tors. theta energy: -110.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1071.600709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.600709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.600709 (E_RNA) where: Base-Base interactions energy: -591.858 where: short stacking energy: -278.383 Base-Backbone interact. energy: 4.365 local terms energy: -484.107993 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -103.016 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -24.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -693.599435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.599435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.599435 (E_RNA) where: Base-Base interactions energy: -322.110 where: short stacking energy: -204.319 Base-Backbone interact. energy: -4.176 local terms energy: -367.314414 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -135.115 flat angles C4'-P-C4' energy: -90.664 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: 16.703 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: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -649.331402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.331402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.331402 (E_RNA) where: Base-Base interactions energy: -266.851 where: short stacking energy: -152.880 Base-Backbone interact. energy: -1.335 local terms energy: -381.145086 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -109.629 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: 33.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2658.935081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.935081 (E_RNA) where: Base-Base interactions energy: -1848.902 where: short stacking energy: -758.055 Base-Backbone interact. energy: -5.675 local terms energy: -804.358891 where: bonds (distance) C4'-P energy: -138.863 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -164.487 flat angles P-C4'-P energy: -113.272 tors. eta vs tors. theta energy: -236.399 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: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2555.816298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.816298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.816298 (E_RNA) where: Base-Base interactions energy: -1742.373 where: short stacking energy: -737.317 Base-Backbone interact. energy: -1.012 local terms energy: -812.430898 where: bonds (distance) C4'-P energy: -145.499 bonds (distance) P-C4' energy: -152.849 flat angles C4'-P-C4' energy: -175.192 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -236.153 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: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2445.200897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.200897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.200897 (E_RNA) where: Base-Base interactions energy: -1657.464 where: short stacking energy: -748.722 Base-Backbone interact. energy: -3.143 local terms energy: -784.594342 where: bonds (distance) C4'-P energy: -132.175 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -181.270 flat angles P-C4'-P energy: -94.332 tors. eta vs tors. theta energy: -230.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2266.870632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.870632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.870632 (E_RNA) where: Base-Base interactions energy: -1545.282 where: short stacking energy: -647.548 Base-Backbone interact. energy: 0.302 local terms energy: -721.889841 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -130.407 flat angles C4'-P-C4' energy: -158.712 flat angles P-C4'-P energy: -106.678 tors. eta vs tors. theta energy: -207.178 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: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2114.059261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.059261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.059261 (E_RNA) where: Base-Base interactions energy: -1430.991 where: short stacking energy: -637.194 Base-Backbone interact. energy: -1.736 local terms energy: -681.332227 where: bonds (distance) C4'-P energy: -121.815 bonds (distance) P-C4' energy: -147.128 flat angles C4'-P-C4' energy: -146.682 flat angles P-C4'-P energy: -86.360 tors. eta vs tors. theta energy: -179.348 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: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1930.957797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.957797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.957797 (E_RNA) where: Base-Base interactions energy: -1294.278 where: short stacking energy: -554.279 Base-Backbone interact. energy: -4.490 local terms energy: -632.189049 where: bonds (distance) C4'-P energy: -132.203 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -133.590 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -155.318 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: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1672.711064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.711064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.711064 (E_RNA) where: Base-Base interactions energy: -1051.176 where: short stacking energy: -450.781 Base-Backbone interact. energy: 0.689 local terms energy: -622.224444 where: bonds (distance) C4'-P energy: -126.366 bonds (distance) P-C4' energy: -140.398 flat angles C4'-P-C4' energy: -141.102 flat angles P-C4'-P energy: -104.467 tors. eta vs tors. theta energy: -109.891 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: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1059.106891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.106891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.106891 (E_RNA) where: Base-Base interactions energy: -613.048 where: short stacking energy: -286.562 Base-Backbone interact. energy: -1.052 local terms energy: -445.006655 where: bonds (distance) C4'-P energy: -135.539 bonds (distance) P-C4' energy: -109.933 flat angles C4'-P-C4' energy: -116.604 flat angles P-C4'-P energy: -61.544 tors. eta vs tors. theta energy: -21.386 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: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -679.100750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.100750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.100750 (E_RNA) where: Base-Base interactions energy: -312.401 where: short stacking energy: -224.793 Base-Backbone interact. energy: 5.256 local terms energy: -371.955631 where: bonds (distance) C4'-P energy: -108.529 bonds (distance) P-C4' energy: -140.861 flat angles C4'-P-C4' energy: -86.570 flat angles P-C4'-P energy: -63.190 tors. eta vs tors. theta energy: 27.195 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -656.998092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.998092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.998092 (E_RNA) where: Base-Base interactions energy: -239.936 where: short stacking energy: -159.379 Base-Backbone interact. energy: 0.034 local terms energy: -417.096277 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -120.665 flat angles C4'-P-C4' energy: -105.642 flat angles P-C4'-P energy: -91.397 tors. eta vs tors. theta energy: 18.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2643.724932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.724932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.724932 (E_RNA) where: Base-Base interactions energy: -1813.855 where: short stacking energy: -753.496 Base-Backbone interact. energy: -3.158 local terms energy: -826.711529 where: bonds (distance) C4'-P energy: -158.413 bonds (distance) P-C4' energy: -149.960 flat angles C4'-P-C4' energy: -177.794 flat angles P-C4'-P energy: -109.597 tors. eta vs tors. theta energy: -230.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2581.539913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.539913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.539913 (E_RNA) where: Base-Base interactions energy: -1765.943 where: short stacking energy: -770.820 Base-Backbone interact. energy: -3.249 local terms energy: -812.348123 where: bonds (distance) C4'-P energy: -151.062 bonds (distance) P-C4' energy: -141.648 flat angles C4'-P-C4' energy: -173.116 flat angles P-C4'-P energy: -110.559 tors. eta vs tors. theta energy: -235.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2457.772068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.772068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.772068 (E_RNA) where: Base-Base interactions energy: -1669.810 where: short stacking energy: -710.158 Base-Backbone interact. energy: -1.374 local terms energy: -786.588475 where: bonds (distance) C4'-P energy: -149.669 bonds (distance) P-C4' energy: -142.393 flat angles C4'-P-C4' energy: -170.701 flat angles P-C4'-P energy: -107.425 tors. eta vs tors. theta energy: -216.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2281.838771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.838771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.838771 (E_RNA) where: Base-Base interactions energy: -1568.486 where: short stacking energy: -655.350 Base-Backbone interact. energy: -5.571 local terms energy: -707.781065 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -129.599 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: -198.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2089.003485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.003485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.003485 (E_RNA) where: Base-Base interactions energy: -1389.761 where: short stacking energy: -573.269 Base-Backbone interact. energy: -1.063 local terms energy: -698.179836 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -152.282 flat angles C4'-P-C4' energy: -154.494 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -154.941 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1965.282376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.282376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.282376 (E_RNA) where: Base-Base interactions energy: -1276.544 where: short stacking energy: -573.358 Base-Backbone interact. energy: -5.255 local terms energy: -683.482517 where: bonds (distance) C4'-P energy: -128.506 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -149.625 flat angles P-C4'-P energy: -97.523 tors. eta vs tors. theta energy: -164.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1728.797077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.797077 (E_RNA) where: Base-Base interactions energy: -1157.674 where: short stacking energy: -491.421 Base-Backbone interact. energy: -3.243 local terms energy: -567.880426 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -114.041 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -122.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1101.710116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.710116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.710116 (E_RNA) where: Base-Base interactions energy: -606.572 where: short stacking energy: -293.674 Base-Backbone interact. energy: 3.648 local terms energy: -498.786710 where: bonds (distance) C4'-P energy: -142.435 bonds (distance) P-C4' energy: -128.544 flat angles C4'-P-C4' energy: -116.882 flat angles P-C4'-P energy: -74.324 tors. eta vs tors. theta energy: -36.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -716.260930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.260930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.260930 (E_RNA) where: Base-Base interactions energy: -298.011 where: short stacking energy: -204.563 Base-Backbone interact. energy: -0.733 local terms energy: -417.516401 where: bonds (distance) C4'-P energy: -115.342 bonds (distance) P-C4' energy: -129.751 flat angles C4'-P-C4' energy: -121.539 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: 7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -534.831431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.831431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.831431 (E_RNA) where: Base-Base interactions energy: -163.155 where: short stacking energy: -135.899 Base-Backbone interact. energy: 6.604 local terms energy: -378.280120 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -133.436 flat angles C4'-P-C4' energy: -106.284 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: 42.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2658.652178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.652178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.652178 (E_RNA) where: Base-Base interactions energy: -1858.830 where: short stacking energy: -767.740 Base-Backbone interact. energy: 0.333 local terms energy: -800.155213 where: bonds (distance) C4'-P energy: -148.149 bonds (distance) P-C4' energy: -147.153 flat angles C4'-P-C4' energy: -174.110 flat angles P-C4'-P energy: -112.153 tors. eta vs tors. theta energy: -218.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2595.999155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.999155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.999155 (E_RNA) where: Base-Base interactions energy: -1756.657 where: short stacking energy: -737.022 Base-Backbone interact. energy: -1.900 local terms energy: -837.442800 where: bonds (distance) C4'-P energy: -145.939 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -182.925 flat angles P-C4'-P energy: -111.584 tors. eta vs tors. theta energy: -240.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2422.922126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.922126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.922126 (E_RNA) where: Base-Base interactions energy: -1656.229 where: short stacking energy: -678.590 Base-Backbone interact. energy: 5.833 local terms energy: -772.526160 where: bonds (distance) C4'-P energy: -149.482 bonds (distance) P-C4' energy: -141.124 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -104.513 tors. eta vs tors. theta energy: -215.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2277.474054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.474054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.474054 (E_RNA) where: Base-Base interactions energy: -1550.438 where: short stacking energy: -634.614 Base-Backbone interact. energy: -3.656 local terms energy: -723.379980 where: bonds (distance) C4'-P energy: -129.965 bonds (distance) P-C4' energy: -143.302 flat angles C4'-P-C4' energy: -167.717 flat angles P-C4'-P energy: -97.967 tors. eta vs tors. theta energy: -184.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2110.114692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.114692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.114692 (E_RNA) where: Base-Base interactions energy: -1414.392 where: short stacking energy: -580.293 Base-Backbone interact. energy: 0.239 local terms energy: -695.962156 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -144.884 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -172.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1927.964635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.964635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.964635 (E_RNA) where: Base-Base interactions energy: -1273.836 where: short stacking energy: -547.329 Base-Backbone interact. energy: -1.769 local terms energy: -652.360021 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -148.464 flat angles P-C4'-P energy: -97.961 tors. eta vs tors. theta energy: -144.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1798.794111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.794111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.794111 (E_RNA) where: Base-Base interactions energy: -1200.737 where: short stacking energy: -506.464 Base-Backbone interact. energy: -3.328 local terms energy: -594.729334 where: bonds (distance) C4'-P energy: -115.079 bonds (distance) P-C4' energy: -132.939 flat angles C4'-P-C4' energy: -137.722 flat angles P-C4'-P energy: -93.253 tors. eta vs tors. theta energy: -115.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1097.987372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.987372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.987372 (E_RNA) where: Base-Base interactions energy: -608.839 where: short stacking energy: -317.636 Base-Backbone interact. energy: -1.302 local terms energy: -487.846277 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -124.611 flat angles C4'-P-C4' energy: -131.409 flat angles P-C4'-P energy: -73.613 tors. eta vs tors. theta energy: -37.858 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: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -735.204823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.204823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.204823 (E_RNA) where: Base-Base interactions energy: -308.553 where: short stacking energy: -197.930 Base-Backbone interact. energy: -0.159 local terms energy: -426.493129 where: bonds (distance) C4'-P energy: -130.371 bonds (distance) P-C4' energy: -129.730 flat angles C4'-P-C4' energy: -100.272 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: 7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -652.570784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.570784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.570784 (E_RNA) where: Base-Base interactions energy: -252.472 where: short stacking energy: -165.499 Base-Backbone interact. energy: -0.171 local terms energy: -399.927406 where: bonds (distance) C4'-P energy: -104.647 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -120.716 flat angles P-C4'-P energy: -69.632 tors. eta vs tors. theta energy: 15.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2659.076129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.076129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.076129 (E_RNA) where: Base-Base interactions energy: -1825.929 where: short stacking energy: -744.140 Base-Backbone interact. energy: -2.213 local terms energy: -830.933405 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -158.080 flat angles C4'-P-C4' energy: -165.774 flat angles P-C4'-P energy: -121.388 tors. eta vs tors. theta energy: -226.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2614.414071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.414071 (E_RNA) where: Base-Base interactions energy: -1795.426 where: short stacking energy: -761.528 Base-Backbone interact. energy: -1.014 local terms energy: -817.973135 where: bonds (distance) C4'-P energy: -150.082 bonds (distance) P-C4' energy: -151.783 flat angles C4'-P-C4' energy: -172.369 flat angles P-C4'-P energy: -111.727 tors. eta vs tors. theta energy: -232.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2408.441762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.441762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.441762 (E_RNA) where: Base-Base interactions energy: -1658.627 where: short stacking energy: -669.213 Base-Backbone interact. energy: -1.136 local terms energy: -748.678317 where: bonds (distance) C4'-P energy: -130.626 bonds (distance) P-C4' energy: -141.736 flat angles C4'-P-C4' energy: -160.447 flat angles P-C4'-P energy: -111.020 tors. eta vs tors. theta energy: -204.849 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: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2296.081211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.081211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.081211 (E_RNA) where: Base-Base interactions energy: -1555.407 where: short stacking energy: -662.504 Base-Backbone interact. energy: -1.462 local terms energy: -739.211958 where: bonds (distance) C4'-P energy: -141.835 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -107.316 tors. eta vs tors. theta energy: -199.348 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: 335 Temperature: 1.100000 Total energy: -2059.997761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.997761 (E_RNA) where: Base-Base interactions energy: -1367.665 where: short stacking energy: -567.777 Base-Backbone interact. energy: 2.618 local terms energy: -694.951017 where: bonds (distance) C4'-P energy: -132.113 bonds (distance) P-C4' energy: -147.274 flat angles C4'-P-C4' energy: -150.010 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -163.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1873.653008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.653008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.653008 (E_RNA) where: Base-Base interactions energy: -1232.932 where: short stacking energy: -567.012 Base-Backbone interact. energy: -3.689 local terms energy: -637.031652 where: bonds (distance) C4'-P energy: -129.694 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -151.828 flat angles P-C4'-P energy: -82.776 tors. eta vs tors. theta energy: -153.856 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: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1647.405338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.405338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.405338 (E_RNA) where: Base-Base interactions energy: -1088.118 where: short stacking energy: -436.776 Base-Backbone interact. energy: 1.054 local terms energy: -560.340432 where: bonds (distance) C4'-P energy: -129.448 bonds (distance) P-C4' energy: -125.268 flat angles C4'-P-C4' energy: -142.411 flat angles P-C4'-P energy: -73.313 tors. eta vs tors. theta energy: -89.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1102.886533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.886533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.886533 (E_RNA) where: Base-Base interactions energy: -626.250 where: short stacking energy: -332.153 Base-Backbone interact. energy: -1.202 local terms energy: -475.434288 where: bonds (distance) C4'-P energy: -126.528 bonds (distance) P-C4' energy: -115.664 flat angles C4'-P-C4' energy: -118.690 flat angles P-C4'-P energy: -66.762 tors. eta vs tors. theta energy: -47.790 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: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -819.371198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.371198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.371198 (E_RNA) where: Base-Base interactions energy: -411.993 where: short stacking energy: -239.248 Base-Backbone interact. energy: 2.642 local terms energy: -410.019916 where: bonds (distance) C4'-P energy: -110.006 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -109.984 flat angles P-C4'-P energy: -48.407 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: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -647.397672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.397672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.397672 (E_RNA) where: Base-Base interactions energy: -283.307 where: short stacking energy: -188.900 Base-Backbone interact. energy: 2.079 local terms energy: -366.169983 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -117.565 flat angles P-C4'-P energy: -26.866 tors. eta vs tors. theta energy: 18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2640.735176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.735176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.735176 (E_RNA) where: Base-Base interactions energy: -1805.449 where: short stacking energy: -748.138 Base-Backbone interact. energy: -2.627 local terms energy: -832.659330 where: bonds (distance) C4'-P energy: -153.457 bonds (distance) P-C4' energy: -151.620 flat angles C4'-P-C4' energy: -178.188 flat angles P-C4'-P energy: -106.803 tors. eta vs tors. theta energy: -242.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2611.376838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.376838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.376838 (E_RNA) where: Base-Base interactions energy: -1794.686 where: short stacking energy: -748.393 Base-Backbone interact. energy: -3.453 local terms energy: -813.237421 where: bonds (distance) C4'-P energy: -149.697 bonds (distance) P-C4' energy: -149.095 flat angles C4'-P-C4' energy: -160.312 flat angles P-C4'-P energy: -127.124 tors. eta vs tors. theta energy: -227.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2362.699875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.699875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.699875 (E_RNA) where: Base-Base interactions energy: -1579.646 where: short stacking energy: -678.178 Base-Backbone interact. energy: -3.397 local terms energy: -779.656760 where: bonds (distance) C4'-P energy: -153.838 bonds (distance) P-C4' energy: -130.154 flat angles C4'-P-C4' energy: -169.842 flat angles P-C4'-P energy: -106.970 tors. eta vs tors. theta energy: -218.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2342.159875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.159875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.159875 (E_RNA) where: Base-Base interactions energy: -1588.063 where: short stacking energy: -635.301 Base-Backbone interact. energy: 0.912 local terms energy: -755.008849 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -146.192 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -196.160 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: 336 Temperature: 1.100000 Total energy: -2076.620016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.620016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.620016 (E_RNA) where: Base-Base interactions energy: -1366.694 where: short stacking energy: -574.925 Base-Backbone interact. energy: -4.405 local terms energy: -705.521003 where: bonds (distance) C4'-P energy: -141.077 bonds (distance) P-C4' energy: -140.505 flat angles C4'-P-C4' energy: -156.899 flat angles P-C4'-P energy: -97.501 tors. eta vs tors. theta energy: -169.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1907.573982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.573982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.573982 (E_RNA) where: Base-Base interactions energy: -1256.748 where: short stacking energy: -527.857 Base-Backbone interact. energy: -2.548 local terms energy: -648.277682 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -135.043 flat angles P-C4'-P energy: -105.492 tors. eta vs tors. theta energy: -149.555 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: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1749.188286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.188286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.188286 (E_RNA) where: Base-Base interactions energy: -1153.555 where: short stacking energy: -487.992 Base-Backbone interact. energy: 0.739 local terms energy: -596.372320 where: bonds (distance) C4'-P energy: -128.926 bonds (distance) P-C4' energy: -126.670 flat angles C4'-P-C4' energy: -127.839 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -135.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1167.493952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.493952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.493952 (E_RNA) where: Base-Base interactions energy: -665.218 where: short stacking energy: -331.734 Base-Backbone interact. energy: 3.163 local terms energy: -505.438125 where: bonds (distance) C4'-P energy: -134.516 bonds (distance) P-C4' energy: -130.382 flat angles C4'-P-C4' energy: -108.170 flat angles P-C4'-P energy: -76.420 tors. eta vs tors. theta energy: -55.950 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: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -750.102340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.102340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.102340 (E_RNA) where: Base-Base interactions energy: -347.761 where: short stacking energy: -209.802 Base-Backbone interact. energy: -1.943 local terms energy: -400.398199 where: bonds (distance) C4'-P energy: -134.774 bonds (distance) P-C4' energy: -128.953 flat angles C4'-P-C4' energy: -94.929 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: 15.192 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: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -627.993457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.993457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.993457 (E_RNA) where: Base-Base interactions energy: -247.651 where: short stacking energy: -142.358 Base-Backbone interact. energy: -0.725 local terms energy: -379.616821 where: bonds (distance) C4'-P energy: -109.990 bonds (distance) P-C4' energy: -132.807 flat angles C4'-P-C4' energy: -100.706 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: 30.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2655.237462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.237462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.237462 (E_RNA) where: Base-Base interactions energy: -1810.077 where: short stacking energy: -778.381 Base-Backbone interact. energy: -1.423 local terms energy: -843.737265 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -144.820 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -246.654 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: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2600.314810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.314810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.314810 (E_RNA) where: Base-Base interactions energy: -1819.887 where: short stacking energy: -743.930 Base-Backbone interact. energy: -2.609 local terms energy: -777.818288 where: bonds (distance) C4'-P energy: -139.537 bonds (distance) P-C4' energy: -136.167 flat angles C4'-P-C4' energy: -174.374 flat angles P-C4'-P energy: -113.963 tors. eta vs tors. theta energy: -213.777 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: 7 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2388.978560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.978560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.978560 (E_RNA) where: Base-Base interactions energy: -1620.537 where: short stacking energy: -677.329 Base-Backbone interact. energy: -1.197 local terms energy: -767.244543 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -144.993 flat angles C4'-P-C4' energy: -165.850 flat angles P-C4'-P energy: -105.965 tors. eta vs tors. theta energy: -203.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2367.227989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.227989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.227989 (E_RNA) where: Base-Base interactions energy: -1643.404 where: short stacking energy: -693.578 Base-Backbone interact. energy: -3.607 local terms energy: -720.217088 where: bonds (distance) C4'-P energy: -120.446 bonds (distance) P-C4' energy: -137.946 flat angles C4'-P-C4' energy: -159.712 flat angles P-C4'-P energy: -102.675 tors. eta vs tors. theta energy: -199.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2077.236705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.236705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.236705 (E_RNA) where: Base-Base interactions energy: -1371.246 where: short stacking energy: -585.067 Base-Backbone interact. energy: 0.243 local terms energy: -706.233364 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -134.808 flat angles C4'-P-C4' energy: -165.798 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -175.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1944.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.482832 (E_RNA) where: Base-Base interactions energy: -1293.766 where: short stacking energy: -547.250 Base-Backbone interact. energy: 9.930 local terms energy: -660.646634 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -94.627 tors. eta vs tors. theta energy: -148.830 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: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1779.465697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.465697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.465697 (E_RNA) where: Base-Base interactions energy: -1166.050 where: short stacking energy: -488.684 Base-Backbone interact. energy: 1.840 local terms energy: -615.255805 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -130.430 flat angles C4'-P-C4' energy: -147.032 flat angles P-C4'-P energy: -96.005 tors. eta vs tors. theta energy: -121.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1026.498565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.498565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.498565 (E_RNA) where: Base-Base interactions energy: -575.920 where: short stacking energy: -310.516 Base-Backbone interact. energy: -1.470 local terms energy: -449.109177 where: bonds (distance) C4'-P energy: -108.057 bonds (distance) P-C4' energy: -121.615 flat angles C4'-P-C4' energy: -141.423 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: -24.082 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: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -770.165619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.165619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.165619 (E_RNA) where: Base-Base interactions energy: -335.777 where: short stacking energy: -204.414 Base-Backbone interact. energy: 0.614 local terms energy: -435.003112 where: bonds (distance) C4'-P energy: -134.767 bonds (distance) P-C4' energy: -122.653 flat angles C4'-P-C4' energy: -126.895 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: 9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -658.215805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.215805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.215805 (E_RNA) where: Base-Base interactions energy: -266.321 where: short stacking energy: -194.229 Base-Backbone interact. energy: 3.168 local terms energy: -395.062762 where: bonds (distance) C4'-P energy: -118.765 bonds (distance) P-C4' energy: -130.045 flat angles C4'-P-C4' energy: -116.859 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: 41.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2661.819987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.819987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.819987 (E_RNA) where: Base-Base interactions energy: -1827.933 where: short stacking energy: -777.125 Base-Backbone interact. energy: -1.643 local terms energy: -832.244264 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -149.153 flat angles C4'-P-C4' energy: -170.964 flat angles P-C4'-P energy: -127.922 tors. eta vs tors. theta energy: -241.184 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: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2576.667127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.667127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.667127 (E_RNA) where: Base-Base interactions energy: -1788.459 where: short stacking energy: -744.208 Base-Backbone interact. energy: -4.610 local terms energy: -783.597563 where: bonds (distance) C4'-P energy: -146.840 bonds (distance) P-C4' energy: -133.244 flat angles C4'-P-C4' energy: -174.379 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -229.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2453.621626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.621626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.621626 (E_RNA) where: Base-Base interactions energy: -1699.702 where: short stacking energy: -741.284 Base-Backbone interact. energy: -1.972 local terms energy: -751.947099 where: bonds (distance) C4'-P energy: -142.465 bonds (distance) P-C4' energy: -132.859 flat angles C4'-P-C4' energy: -153.993 flat angles P-C4'-P energy: -102.992 tors. eta vs tors. theta energy: -219.638 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: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2354.366388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.366388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.366388 (E_RNA) where: Base-Base interactions energy: -1621.092 where: short stacking energy: -681.617 Base-Backbone interact. energy: 3.084 local terms energy: -736.358539 where: bonds (distance) C4'-P energy: -131.295 bonds (distance) P-C4' energy: -146.850 flat angles C4'-P-C4' energy: -163.986 flat angles P-C4'-P energy: -82.460 tors. eta vs tors. theta energy: -211.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2071.055458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.055458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.055458 (E_RNA) where: Base-Base interactions energy: -1385.061 where: short stacking energy: -588.685 Base-Backbone interact. energy: -2.024 local terms energy: -683.970416 where: bonds (distance) C4'-P energy: -133.683 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -158.983 flat angles P-C4'-P energy: -103.234 tors. eta vs tors. theta energy: -159.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1986.007327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.007327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.007327 (E_RNA) where: Base-Base interactions energy: -1323.638 where: short stacking energy: -551.068 Base-Backbone interact. energy: -3.576 local terms energy: -658.793215 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -144.143 flat angles P-C4'-P energy: -99.581 tors. eta vs tors. theta energy: -151.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1732.121444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.121444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.121444 (E_RNA) where: Base-Base interactions energy: -1152.127 where: short stacking energy: -495.060 Base-Backbone interact. energy: -0.456 local terms energy: -579.538430 where: bonds (distance) C4'-P energy: -109.364 bonds (distance) P-C4' energy: -135.770 flat angles C4'-P-C4' energy: -139.012 flat angles P-C4'-P energy: -75.256 tors. eta vs tors. theta energy: -120.135 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: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -997.744708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.744708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.744708 (E_RNA) where: Base-Base interactions energy: -533.479 where: short stacking energy: -255.431 Base-Backbone interact. energy: -0.149 local terms energy: -464.117133 where: bonds (distance) C4'-P energy: -120.194 bonds (distance) P-C4' energy: -141.720 flat angles C4'-P-C4' energy: -121.405 flat angles P-C4'-P energy: -67.944 tors. eta vs tors. theta energy: -12.855 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: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -642.680551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.680551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.680551 (E_RNA) where: Base-Base interactions energy: -219.491 where: short stacking energy: -159.644 Base-Backbone interact. energy: 5.234 local terms energy: -428.423098 where: bonds (distance) C4'-P energy: -142.788 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -121.498 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: 18.747 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -639.519556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.519556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.519556 (E_RNA) where: Base-Base interactions energy: -263.818 where: short stacking energy: -151.435 Base-Backbone interact. energy: 3.342 local terms energy: -379.043153 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -128.958 flat angles C4'-P-C4' energy: -99.118 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: 35.854 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: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2627.582268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.582268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.582268 (E_RNA) where: Base-Base interactions energy: -1794.068 where: short stacking energy: -734.042 Base-Backbone interact. energy: -2.822 local terms energy: -830.692111 where: bonds (distance) C4'-P energy: -155.112 bonds (distance) P-C4' energy: -149.860 flat angles C4'-P-C4' energy: -171.172 flat angles P-C4'-P energy: -120.832 tors. eta vs tors. theta energy: -233.716 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: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2581.946153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.946153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.946153 (E_RNA) where: Base-Base interactions energy: -1777.067 where: short stacking energy: -751.779 Base-Backbone interact. energy: -4.866 local terms energy: -800.012497 where: bonds (distance) C4'-P energy: -144.841 bonds (distance) P-C4' energy: -143.639 flat angles C4'-P-C4' energy: -170.703 flat angles P-C4'-P energy: -117.539 tors. eta vs tors. theta energy: -223.290 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: 339 Temperature: 1.000000 Total energy: -2414.360591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.360591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.360591 (E_RNA) where: Base-Base interactions energy: -1655.736 where: short stacking energy: -712.060 Base-Backbone interact. energy: -1.376 local terms energy: -757.248371 where: bonds (distance) C4'-P energy: -152.469 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -163.165 flat angles P-C4'-P energy: -103.534 tors. eta vs tors. theta energy: -205.467 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: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2330.991057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.991057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.991057 (E_RNA) where: Base-Base interactions energy: -1620.284 where: short stacking energy: -653.981 Base-Backbone interact. energy: -4.603 local terms energy: -706.103467 where: bonds (distance) C4'-P energy: -148.011 bonds (distance) P-C4' energy: -129.735 flat angles C4'-P-C4' energy: -144.428 flat angles P-C4'-P energy: -85.894 tors. eta vs tors. theta energy: -198.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2087.300812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.300812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.300812 (E_RNA) where: Base-Base interactions energy: -1420.108 where: short stacking energy: -603.427 Base-Backbone interact. energy: -4.175 local terms energy: -663.017919 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -143.415 flat angles C4'-P-C4' energy: -163.037 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -153.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2044.535948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.535948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.535948 (E_RNA) where: Base-Base interactions energy: -1364.725 where: short stacking energy: -593.597 Base-Backbone interact. energy: 1.083 local terms energy: -680.894271 where: bonds (distance) C4'-P energy: -115.232 bonds (distance) P-C4' energy: -147.529 flat angles C4'-P-C4' energy: -144.286 flat angles P-C4'-P energy: -99.716 tors. eta vs tors. theta energy: -174.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1750.935170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.935170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.935170 (E_RNA) where: Base-Base interactions energy: -1142.418 where: short stacking energy: -483.261 Base-Backbone interact. energy: 1.372 local terms energy: -609.889018 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -121.586 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -92.239 tors. eta vs tors. theta energy: -125.163 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: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -999.103225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.103225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.103225 (E_RNA) where: Base-Base interactions energy: -539.064 where: short stacking energy: -275.728 Base-Backbone interact. energy: 3.514 local terms energy: -463.553546 where: bonds (distance) C4'-P energy: -122.253 bonds (distance) P-C4' energy: -128.188 flat angles C4'-P-C4' energy: -116.603 flat angles P-C4'-P energy: -64.528 tors. eta vs tors. theta energy: -31.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -674.261120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.261120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.261120 (E_RNA) where: Base-Base interactions energy: -260.042 where: short stacking energy: -170.444 Base-Backbone interact. energy: 7.281 local terms energy: -421.499855 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -131.909 flat angles C4'-P-C4' energy: -116.016 flat angles P-C4'-P energy: -56.265 tors. eta vs tors. theta energy: 19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -629.127571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.127571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.127571 (E_RNA) where: Base-Base interactions energy: -261.076 where: short stacking energy: -176.245 Base-Backbone interact. energy: -1.747 local terms energy: -366.304691 where: bonds (distance) C4'-P energy: -119.216 bonds (distance) P-C4' energy: -139.355 flat angles C4'-P-C4' energy: -77.594 flat angles P-C4'-P energy: -59.851 tors. eta vs tors. theta energy: 29.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2638.490367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.490367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.490367 (E_RNA) where: Base-Base interactions energy: -1821.327 where: short stacking energy: -766.302 Base-Backbone interact. energy: 0.900 local terms energy: -818.063466 where: bonds (distance) C4'-P energy: -135.588 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -172.993 flat angles P-C4'-P energy: -112.594 tors. eta vs tors. theta energy: -239.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2607.666174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.666174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.666174 (E_RNA) where: Base-Base interactions energy: -1779.272 where: short stacking energy: -742.769 Base-Backbone interact. energy: -2.488 local terms energy: -825.906751 where: bonds (distance) C4'-P energy: -161.814 bonds (distance) P-C4' energy: -147.583 flat angles C4'-P-C4' energy: -173.438 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -230.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2419.920380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.920380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.920380 (E_RNA) where: Base-Base interactions energy: -1666.008 where: short stacking energy: -717.599 Base-Backbone interact. energy: -0.799 local terms energy: -753.113075 where: bonds (distance) C4'-P energy: -144.270 bonds (distance) P-C4' energy: -144.956 flat angles C4'-P-C4' energy: -155.450 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -212.787 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: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2322.570458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.570458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.570458 (E_RNA) where: Base-Base interactions energy: -1581.488 where: short stacking energy: -645.570 Base-Backbone interact. energy: -1.447 local terms energy: -739.635726 where: bonds (distance) C4'-P energy: -147.042 bonds (distance) P-C4' energy: -144.463 flat angles C4'-P-C4' energy: -139.570 flat angles P-C4'-P energy: -107.328 tors. eta vs tors. theta energy: -201.232 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: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2117.071911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.071911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.071911 (E_RNA) where: Base-Base interactions energy: -1409.569 where: short stacking energy: -586.551 Base-Backbone interact. energy: 0.161 local terms energy: -707.664758 where: bonds (distance) C4'-P energy: -129.112 bonds (distance) P-C4' energy: -154.274 flat angles C4'-P-C4' energy: -152.378 flat angles P-C4'-P energy: -104.291 tors. eta vs tors. theta energy: -167.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1993.173268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.173268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.173268 (E_RNA) where: Base-Base interactions energy: -1333.395 where: short stacking energy: -576.325 Base-Backbone interact. energy: -0.830 local terms energy: -658.947412 where: bonds (distance) C4'-P energy: -126.684 bonds (distance) P-C4' energy: -141.598 flat angles C4'-P-C4' energy: -155.579 flat angles P-C4'-P energy: -81.073 tors. eta vs tors. theta energy: -154.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1734.490255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.490255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.490255 (E_RNA) where: Base-Base interactions energy: -1168.982 where: short stacking energy: -476.534 Base-Backbone interact. energy: 2.850 local terms energy: -568.358119 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -122.647 flat angles C4'-P-C4' energy: -115.216 flat angles P-C4'-P energy: -86.109 tors. eta vs tors. theta energy: -120.591 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: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1002.806983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.806983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.806983 (E_RNA) where: Base-Base interactions energy: -535.594 where: short stacking energy: -277.697 Base-Backbone interact. energy: 1.320 local terms energy: -468.532893 where: bonds (distance) C4'-P energy: -104.854 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -123.479 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -38.407 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: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -669.568122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.568122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.568122 (E_RNA) where: Base-Base interactions energy: -269.388 where: short stacking energy: -160.575 Base-Backbone interact. energy: 2.183 local terms energy: -402.362448 where: bonds (distance) C4'-P energy: -120.388 bonds (distance) P-C4' energy: -134.958 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -67.879 tors. eta vs tors. theta energy: 16.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -616.453288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.453288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.453288 (E_RNA) where: Base-Base interactions energy: -246.789 where: short stacking energy: -160.022 Base-Backbone interact. energy: 2.066 local terms energy: -371.730523 where: bonds (distance) C4'-P energy: -119.001 bonds (distance) P-C4' energy: -110.960 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -68.067 tors. eta vs tors. theta energy: 29.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2633.801965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.801965 (E_RNA) where: Base-Base interactions energy: -1810.827 where: short stacking energy: -760.235 Base-Backbone interact. energy: -2.655 local terms energy: -820.319418 where: bonds (distance) C4'-P energy: -145.811 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -172.512 flat angles P-C4'-P energy: -113.023 tors. eta vs tors. theta energy: -227.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2549.567425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.567425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.567425 (E_RNA) where: Base-Base interactions energy: -1747.304 where: short stacking energy: -739.900 Base-Backbone interact. energy: -0.803 local terms energy: -801.461144 where: bonds (distance) C4'-P energy: -158.959 bonds (distance) P-C4' energy: -157.216 flat angles C4'-P-C4' energy: -163.601 flat angles P-C4'-P energy: -103.026 tors. eta vs tors. theta energy: -218.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2415.394334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.394334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.394334 (E_RNA) where: Base-Base interactions energy: -1658.299 where: short stacking energy: -722.953 Base-Backbone interact. energy: -3.070 local terms energy: -754.025441 where: bonds (distance) C4'-P energy: -136.930 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -159.573 flat angles P-C4'-P energy: -113.411 tors. eta vs tors. theta energy: -207.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2325.963370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.963370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.963370 (E_RNA) where: Base-Base interactions energy: -1592.469 where: short stacking energy: -633.830 Base-Backbone interact. energy: -4.297 local terms energy: -729.196964 where: bonds (distance) C4'-P energy: -148.948 bonds (distance) P-C4' energy: -144.500 flat angles C4'-P-C4' energy: -146.693 flat angles P-C4'-P energy: -95.548 tors. eta vs tors. theta energy: -193.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2109.076638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.076638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.076638 (E_RNA) where: Base-Base interactions energy: -1417.092 where: short stacking energy: -622.400 Base-Backbone interact. energy: 1.528 local terms energy: -693.512465 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -95.254 tors. eta vs tors. theta energy: -180.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2002.275034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.275034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.275034 (E_RNA) where: Base-Base interactions energy: -1317.122 where: short stacking energy: -569.343 Base-Backbone interact. energy: 1.553 local terms energy: -686.706573 where: bonds (distance) C4'-P energy: -123.805 bonds (distance) P-C4' energy: -143.048 flat angles C4'-P-C4' energy: -157.181 flat angles P-C4'-P energy: -86.209 tors. eta vs tors. theta energy: -176.464 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: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1786.169646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.169646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.169646 (E_RNA) where: Base-Base interactions energy: -1167.682 where: short stacking energy: -495.997 Base-Backbone interact. energy: 1.419 local terms energy: -619.907098 where: bonds (distance) C4'-P energy: -143.227 bonds (distance) P-C4' energy: -137.629 flat angles C4'-P-C4' energy: -124.168 flat angles P-C4'-P energy: -86.541 tors. eta vs tors. theta energy: -128.342 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: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1050.276868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.276868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.276868 (E_RNA) where: Base-Base interactions energy: -589.687 where: short stacking energy: -286.891 Base-Backbone interact. energy: -4.690 local terms energy: -455.899562 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -137.087 flat angles C4'-P-C4' energy: -108.165 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -20.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -705.228518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.228518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.228518 (E_RNA) where: Base-Base interactions energy: -309.515 where: short stacking energy: -192.336 Base-Backbone interact. energy: -2.644 local terms energy: -393.070210 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -135.360 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: 9.445 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: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -607.463496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.463496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.463496 (E_RNA) where: Base-Base interactions energy: -217.362 where: short stacking energy: -150.395 Base-Backbone interact. energy: 0.034 local terms energy: -390.134872 where: bonds (distance) C4'-P energy: -103.568 bonds (distance) P-C4' energy: -132.749 flat angles C4'-P-C4' energy: -102.584 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: 18.419 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: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2664.048222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.048222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.048222 (E_RNA) where: Base-Base interactions energy: -1853.054 where: short stacking energy: -775.281 Base-Backbone interact. energy: -1.591 local terms energy: -809.403501 where: bonds (distance) C4'-P energy: -142.772 bonds (distance) P-C4' energy: -154.849 flat angles C4'-P-C4' energy: -172.955 flat angles P-C4'-P energy: -110.334 tors. eta vs tors. theta energy: -228.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2590.680649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.680649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.680649 (E_RNA) where: Base-Base interactions energy: -1755.565 where: short stacking energy: -759.331 Base-Backbone interact. energy: -3.052 local terms energy: -832.063591 where: bonds (distance) C4'-P energy: -148.899 bonds (distance) P-C4' energy: -152.553 flat angles C4'-P-C4' energy: -172.068 flat angles P-C4'-P energy: -120.964 tors. eta vs tors. theta energy: -237.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2420.217708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.217708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.217708 (E_RNA) where: Base-Base interactions energy: -1663.738 where: short stacking energy: -682.130 Base-Backbone interact. energy: -4.572 local terms energy: -751.907409 where: bonds (distance) C4'-P energy: -136.593 bonds (distance) P-C4' energy: -148.667 flat angles C4'-P-C4' energy: -162.364 flat angles P-C4'-P energy: -89.520 tors. eta vs tors. theta energy: -214.763 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2332.615018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.615018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.615018 (E_RNA) where: Base-Base interactions energy: -1613.232 where: short stacking energy: -658.683 Base-Backbone interact. energy: -3.757 local terms energy: -715.626837 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -146.420 flat angles C4'-P-C4' energy: -161.382 flat angles P-C4'-P energy: -93.904 tors. eta vs tors. theta energy: -195.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2178.157576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.157576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.157576 (E_RNA) where: Base-Base interactions energy: -1497.679 where: short stacking energy: -622.249 Base-Backbone interact. energy: -3.403 local terms energy: -677.075356 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -143.230 flat angles C4'-P-C4' energy: -151.972 flat angles P-C4'-P energy: -95.318 tors. eta vs tors. theta energy: -175.573 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: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2030.084493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.084493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.084493 (E_RNA) where: Base-Base interactions energy: -1344.540 where: short stacking energy: -585.074 Base-Backbone interact. energy: -2.030 local terms energy: -683.514762 where: bonds (distance) C4'-P energy: -133.921 bonds (distance) P-C4' energy: -133.697 flat angles C4'-P-C4' energy: -159.367 flat angles P-C4'-P energy: -90.312 tors. eta vs tors. theta energy: -166.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1804.882568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.882568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.882568 (E_RNA) where: Base-Base interactions energy: -1188.184 where: short stacking energy: -532.274 Base-Backbone interact. energy: 0.079 local terms energy: -616.777476 where: bonds (distance) C4'-P energy: -129.131 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -148.422 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -136.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1089.207764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.207764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.207764 (E_RNA) where: Base-Base interactions energy: -637.477 where: short stacking energy: -314.870 Base-Backbone interact. energy: 1.625 local terms energy: -453.355408 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -133.924 flat angles C4'-P-C4' energy: -103.409 flat angles P-C4'-P energy: -63.281 tors. eta vs tors. theta energy: -7.353 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: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -692.764079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.764079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.764079 (E_RNA) where: Base-Base interactions energy: -303.253 where: short stacking energy: -202.847 Base-Backbone interact. energy: -3.635 local terms energy: -385.875607 where: bonds (distance) C4'-P energy: -114.166 bonds (distance) P-C4' energy: -120.991 flat angles C4'-P-C4' energy: -105.053 flat angles P-C4'-P energy: -63.180 tors. eta vs tors. theta energy: 17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -598.685709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.685709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.685709 (E_RNA) where: Base-Base interactions energy: -225.943 where: short stacking energy: -155.289 Base-Backbone interact. energy: -2.498 local terms energy: -370.245076 where: bonds (distance) C4'-P energy: -105.861 bonds (distance) P-C4' energy: -116.600 flat angles C4'-P-C4' energy: -135.016 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: 33.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2636.723816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.723816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.723816 (E_RNA) where: Base-Base interactions energy: -1811.310 where: short stacking energy: -769.670 Base-Backbone interact. energy: -2.614 local terms energy: -822.799836 where: bonds (distance) C4'-P energy: -148.443 bonds (distance) P-C4' energy: -145.724 flat angles C4'-P-C4' energy: -178.238 flat angles P-C4'-P energy: -120.647 tors. eta vs tors. theta energy: -229.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2605.526847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.526847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.526847 (E_RNA) where: Base-Base interactions energy: -1795.276 where: short stacking energy: -751.820 Base-Backbone interact. energy: -3.660 local terms energy: -806.590473 where: bonds (distance) C4'-P energy: -154.193 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -168.701 flat angles P-C4'-P energy: -113.788 tors. eta vs tors. theta energy: -238.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2404.112154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.112154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.112154 (E_RNA) where: Base-Base interactions energy: -1661.659 where: short stacking energy: -690.009 Base-Backbone interact. energy: 3.414 local terms energy: -745.867440 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -159.756 flat angles P-C4'-P energy: -96.167 tors. eta vs tors. theta energy: -205.974 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: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2323.611792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.611792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.611792 (E_RNA) where: Base-Base interactions energy: -1605.908 where: short stacking energy: -642.451 Base-Backbone interact. energy: -4.519 local terms energy: -713.185274 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -137.833 flat angles C4'-P-C4' energy: -157.997 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -190.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2147.235590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.235590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.235590 (E_RNA) where: Base-Base interactions energy: -1468.147 where: short stacking energy: -598.580 Base-Backbone interact. energy: -0.104 local terms energy: -678.984605 where: bonds (distance) C4'-P energy: -131.973 bonds (distance) P-C4' energy: -139.795 flat angles C4'-P-C4' energy: -148.475 flat angles P-C4'-P energy: -96.034 tors. eta vs tors. theta energy: -162.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2017.848362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.848362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.848362 (E_RNA) where: Base-Base interactions energy: -1370.026 where: short stacking energy: -587.580 Base-Backbone interact. energy: 1.747 local terms energy: -649.570145 where: bonds (distance) C4'-P energy: -110.577 bonds (distance) P-C4' energy: -140.510 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -85.834 tors. eta vs tors. theta energy: -169.449 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: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1794.741749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.741749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.741749 (E_RNA) where: Base-Base interactions energy: -1161.620 where: short stacking energy: -494.503 Base-Backbone interact. energy: 4.121 local terms energy: -637.242420 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -145.854 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -136.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1106.216024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.216024 (E_RNA) where: Base-Base interactions energy: -621.602 where: short stacking energy: -301.626 Base-Backbone interact. energy: -1.359 local terms energy: -483.254517 where: bonds (distance) C4'-P energy: -114.946 bonds (distance) P-C4' energy: -131.350 flat angles C4'-P-C4' energy: -129.437 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -32.210 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: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -681.685076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.685076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.685076 (E_RNA) where: Base-Base interactions energy: -322.222 where: short stacking energy: -198.073 Base-Backbone interact. energy: -0.220 local terms energy: -359.242670 where: bonds (distance) C4'-P energy: -118.411 bonds (distance) P-C4' energy: -110.780 flat angles C4'-P-C4' energy: -92.881 flat angles P-C4'-P energy: -54.572 tors. eta vs tors. theta energy: 17.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -619.880184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.880184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.880184 (E_RNA) where: Base-Base interactions energy: -245.790 where: short stacking energy: -183.511 Base-Backbone interact. energy: 7.215 local terms energy: -381.305756 where: bonds (distance) C4'-P energy: -111.815 bonds (distance) P-C4' energy: -132.169 flat angles C4'-P-C4' energy: -101.888 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: 26.970 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: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2640.887103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.887103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.887103 (E_RNA) where: Base-Base interactions energy: -1808.698 where: short stacking energy: -761.094 Base-Backbone interact. energy: -2.158 local terms energy: -830.031056 where: bonds (distance) C4'-P energy: -149.342 bonds (distance) P-C4' energy: -152.420 flat angles C4'-P-C4' energy: -171.603 flat angles P-C4'-P energy: -118.112 tors. eta vs tors. theta energy: -238.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2577.699000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.699000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.699000 (E_RNA) where: Base-Base interactions energy: -1788.552 where: short stacking energy: -726.782 Base-Backbone interact. energy: -5.096 local terms energy: -784.051753 where: bonds (distance) C4'-P energy: -154.667 bonds (distance) P-C4' energy: -144.756 flat angles C4'-P-C4' energy: -169.007 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -211.895 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: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2386.034557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.034557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.034557 (E_RNA) where: Base-Base interactions energy: -1617.044 where: short stacking energy: -678.025 Base-Backbone interact. energy: -5.522 local terms energy: -763.468680 where: bonds (distance) C4'-P energy: -140.864 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -162.531 flat angles P-C4'-P energy: -112.851 tors. eta vs tors. theta energy: -211.808 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: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2344.195844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.195844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.195844 (E_RNA) where: Base-Base interactions energy: -1570.796 where: short stacking energy: -642.688 Base-Backbone interact. energy: 0.269 local terms energy: -773.668510 where: bonds (distance) C4'-P energy: -134.842 bonds (distance) P-C4' energy: -149.557 flat angles C4'-P-C4' energy: -161.938 flat angles P-C4'-P energy: -115.460 tors. eta vs tors. theta energy: -211.873 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: 344 Temperature: 1.100000 Total energy: -2163.662241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.662241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.662241 (E_RNA) where: Base-Base interactions energy: -1477.564 where: short stacking energy: -635.041 Base-Backbone interact. energy: -1.121 local terms energy: -684.976959 where: bonds (distance) C4'-P energy: -131.687 bonds (distance) P-C4' energy: -129.770 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -101.770 tors. eta vs tors. theta energy: -176.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1972.065059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.065059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.065059 (E_RNA) where: Base-Base interactions energy: -1288.720 where: short stacking energy: -533.859 Base-Backbone interact. energy: -3.148 local terms energy: -680.196694 where: bonds (distance) C4'-P energy: -132.998 bonds (distance) P-C4' energy: -144.527 flat angles C4'-P-C4' energy: -148.607 flat angles P-C4'-P energy: -96.365 tors. eta vs tors. theta energy: -157.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1761.340382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.340382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.340382 (E_RNA) where: Base-Base interactions energy: -1164.241 where: short stacking energy: -502.325 Base-Backbone interact. energy: -0.757 local terms energy: -596.342367 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -127.082 flat angles C4'-P-C4' energy: -140.453 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -119.499 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: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1092.246485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.246485 (E_RNA) where: Base-Base interactions energy: -629.587 where: short stacking energy: -304.590 Base-Backbone interact. energy: 3.786 local terms energy: -466.445050 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -124.245 flat angles C4'-P-C4' energy: -115.811 flat angles P-C4'-P energy: -66.109 tors. eta vs tors. theta energy: -31.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -687.372247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.372247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.372247 (E_RNA) where: Base-Base interactions energy: -263.186 where: short stacking energy: -200.336 Base-Backbone interact. energy: 2.553 local terms energy: -426.738564 where: bonds (distance) C4'-P energy: -126.931 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -104.823 flat angles P-C4'-P energy: -54.463 tors. eta vs tors. theta energy: 0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -637.427133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.427133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.427133 (E_RNA) where: Base-Base interactions energy: -267.253 where: short stacking energy: -135.238 Base-Backbone interact. energy: 0.792 local terms energy: -370.965507 where: bonds (distance) C4'-P energy: -119.021 bonds (distance) P-C4' energy: -123.907 flat angles C4'-P-C4' energy: -118.809 flat angles P-C4'-P energy: -32.436 tors. eta vs tors. theta energy: 23.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2645.664654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.664654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.664654 (E_RNA) where: Base-Base interactions energy: -1831.343 where: short stacking energy: -777.086 Base-Backbone interact. energy: -1.204 local terms energy: -813.118318 where: bonds (distance) C4'-P energy: -141.594 bonds (distance) P-C4' energy: -149.780 flat angles C4'-P-C4' energy: -170.014 flat angles P-C4'-P energy: -117.247 tors. eta vs tors. theta energy: -234.483 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: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2569.553001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.553001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.553001 (E_RNA) where: Base-Base interactions energy: -1751.261 where: short stacking energy: -719.384 Base-Backbone interact. energy: -5.120 local terms energy: -813.171819 where: bonds (distance) C4'-P energy: -137.749 bonds (distance) P-C4' energy: -162.981 flat angles C4'-P-C4' energy: -165.972 flat angles P-C4'-P energy: -122.335 tors. eta vs tors. theta energy: -224.135 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: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2414.122628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.122628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.122628 (E_RNA) where: Base-Base interactions energy: -1645.823 where: short stacking energy: -705.018 Base-Backbone interact. energy: -0.540 local terms energy: -767.759785 where: bonds (distance) C4'-P energy: -139.817 bonds (distance) P-C4' energy: -135.039 flat angles C4'-P-C4' energy: -172.794 flat angles P-C4'-P energy: -112.222 tors. eta vs tors. theta energy: -207.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2329.610703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.610703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.610703 (E_RNA) where: Base-Base interactions energy: -1575.528 where: short stacking energy: -689.307 Base-Backbone interact. energy: -2.713 local terms energy: -751.369835 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -151.693 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -206.622 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: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2210.494823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.494823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.494823 (E_RNA) where: Base-Base interactions energy: -1492.996 where: short stacking energy: -649.637 Base-Backbone interact. energy: 2.210 local terms energy: -719.709400 where: bonds (distance) C4'-P energy: -117.373 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -157.835 flat angles P-C4'-P energy: -118.129 tors. eta vs tors. theta energy: -178.222 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: 345 Temperature: 1.150000 Total energy: -1918.261471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.261471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.261471 (E_RNA) where: Base-Base interactions energy: -1266.697 where: short stacking energy: -552.909 Base-Backbone interact. energy: 6.467 local terms energy: -658.031458 where: bonds (distance) C4'-P energy: -112.766 bonds (distance) P-C4' energy: -131.554 flat angles C4'-P-C4' energy: -157.478 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -163.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1744.153718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.153718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.153718 (E_RNA) where: Base-Base interactions energy: -1143.396 where: short stacking energy: -504.017 Base-Backbone interact. energy: -2.750 local terms energy: -598.008028 where: bonds (distance) C4'-P energy: -145.817 bonds (distance) P-C4' energy: -121.561 flat angles C4'-P-C4' energy: -130.645 flat angles P-C4'-P energy: -85.904 tors. eta vs tors. theta energy: -114.082 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: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1119.616930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.616930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.616930 (E_RNA) where: Base-Base interactions energy: -628.351 where: short stacking energy: -333.988 Base-Backbone interact. energy: 4.368 local terms energy: -495.633486 where: bonds (distance) C4'-P energy: -105.703 bonds (distance) P-C4' energy: -131.708 flat angles C4'-P-C4' energy: -129.263 flat angles P-C4'-P energy: -73.082 tors. eta vs tors. theta energy: -55.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -673.535654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.535654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.535654 (E_RNA) where: Base-Base interactions energy: -266.534 where: short stacking energy: -184.061 Base-Backbone interact. energy: -0.326 local terms energy: -406.676279 where: bonds (distance) C4'-P energy: -124.734 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -107.907 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: 30.562 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: 345 Temperature: 1.350000 Total energy: -608.023443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.023443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.023443 (E_RNA) where: Base-Base interactions energy: -232.429 where: short stacking energy: -156.577 Base-Backbone interact. energy: 3.136 local terms energy: -378.730070 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -134.956 flat angles C4'-P-C4' energy: -108.609 flat angles P-C4'-P energy: -48.534 tors. eta vs tors. theta energy: 6.385 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: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2661.674697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.674697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.674697 (E_RNA) where: Base-Base interactions energy: -1834.847 where: short stacking energy: -757.427 Base-Backbone interact. energy: -1.831 local terms energy: -824.997232 where: bonds (distance) C4'-P energy: -149.556 bonds (distance) P-C4' energy: -145.699 flat angles C4'-P-C4' energy: -177.196 flat angles P-C4'-P energy: -116.118 tors. eta vs tors. theta energy: -236.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2610.875620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.875620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.875620 (E_RNA) where: Base-Base interactions energy: -1804.507 where: short stacking energy: -757.483 Base-Backbone interact. energy: -7.453 local terms energy: -798.914720 where: bonds (distance) C4'-P energy: -142.435 bonds (distance) P-C4' energy: -155.471 flat angles C4'-P-C4' energy: -164.883 flat angles P-C4'-P energy: -111.652 tors. eta vs tors. theta energy: -224.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2421.070195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.070195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.070195 (E_RNA) where: Base-Base interactions energy: -1684.791 where: short stacking energy: -698.418 Base-Backbone interact. energy: 5.531 local terms energy: -741.809944 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -161.128 flat angles P-C4'-P energy: -92.427 tors. eta vs tors. theta energy: -203.411 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: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2339.071826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.071826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.071826 (E_RNA) where: Base-Base interactions energy: -1586.983 where: short stacking energy: -692.909 Base-Backbone interact. energy: -2.250 local terms energy: -749.839076 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -156.441 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -201.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2196.034542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.034542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.034542 (E_RNA) where: Base-Base interactions energy: -1482.576 where: short stacking energy: -604.679 Base-Backbone interact. energy: -1.666 local terms energy: -711.791967 where: bonds (distance) C4'-P energy: -141.105 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -149.196 flat angles P-C4'-P energy: -116.907 tors. eta vs tors. theta energy: -172.989 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: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1869.961825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.961825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.961825 (E_RNA) where: Base-Base interactions energy: -1252.299 where: short stacking energy: -560.326 Base-Backbone interact. energy: -1.122 local terms energy: -616.540805 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -141.148 flat angles C4'-P-C4' energy: -127.380 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -154.759 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: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1720.091386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.091386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.091386 (E_RNA) where: Base-Base interactions energy: -1122.877 where: short stacking energy: -493.924 Base-Backbone interact. energy: 2.224 local terms energy: -599.437980 where: bonds (distance) C4'-P energy: -124.307 bonds (distance) P-C4' energy: -124.572 flat angles C4'-P-C4' energy: -133.307 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -113.774 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: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1145.038388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.038388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.038388 (E_RNA) where: Base-Base interactions energy: -647.649 where: short stacking energy: -327.946 Base-Backbone interact. energy: 1.047 local terms energy: -498.436840 where: bonds (distance) C4'-P energy: -132.907 bonds (distance) P-C4' energy: -119.545 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -56.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -666.910483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.910483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.910483 (E_RNA) where: Base-Base interactions energy: -293.306 where: short stacking energy: -192.807 Base-Backbone interact. energy: 4.685 local terms energy: -378.289250 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -117.271 flat angles C4'-P-C4' energy: -94.103 flat angles P-C4'-P energy: -49.195 tors. eta vs tors. theta energy: 13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -636.936902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.936902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.936902 (E_RNA) where: Base-Base interactions energy: -265.401 where: short stacking energy: -174.264 Base-Backbone interact. energy: -0.722 local terms energy: -370.813839 where: bonds (distance) C4'-P energy: -114.443 bonds (distance) P-C4' energy: -118.775 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: 4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2654.799495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.799495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.799495 (E_RNA) where: Base-Base interactions energy: -1838.620 where: short stacking energy: -761.971 Base-Backbone interact. energy: -3.639 local terms energy: -812.540561 where: bonds (distance) C4'-P energy: -141.449 bonds (distance) P-C4' energy: -149.850 flat angles C4'-P-C4' energy: -179.632 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -235.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2599.447644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.447644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.447644 (E_RNA) where: Base-Base interactions energy: -1805.750 where: short stacking energy: -739.804 Base-Backbone interact. energy: -1.896 local terms energy: -791.802104 where: bonds (distance) C4'-P energy: -139.974 bonds (distance) P-C4' energy: -132.690 flat angles C4'-P-C4' energy: -176.004 flat angles P-C4'-P energy: -114.087 tors. eta vs tors. theta energy: -229.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2380.538355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.538355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.538355 (E_RNA) where: Base-Base interactions energy: -1631.722 where: short stacking energy: -664.742 Base-Backbone interact. energy: -2.211 local terms energy: -746.605536 where: bonds (distance) C4'-P energy: -133.697 bonds (distance) P-C4' energy: -146.269 flat angles C4'-P-C4' energy: -167.657 flat angles P-C4'-P energy: -91.943 tors. eta vs tors. theta energy: -207.040 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: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2295.282206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.282206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.282206 (E_RNA) where: Base-Base interactions energy: -1542.393 where: short stacking energy: -650.075 Base-Backbone interact. energy: -0.537 local terms energy: -752.351983 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -155.465 flat angles P-C4'-P energy: -103.500 tors. eta vs tors. theta energy: -203.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2249.081099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.081099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.081099 (E_RNA) where: Base-Base interactions energy: -1517.529 where: short stacking energy: -646.768 Base-Backbone interact. energy: -2.054 local terms energy: -729.497701 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -143.621 flat angles C4'-P-C4' energy: -165.453 flat angles P-C4'-P energy: -96.259 tors. eta vs tors. theta energy: -200.301 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: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1907.404512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.404512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.404512 (E_RNA) where: Base-Base interactions energy: -1241.460 where: short stacking energy: -511.400 Base-Backbone interact. energy: -3.149 local terms energy: -662.795425 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -148.295 flat angles C4'-P-C4' energy: -149.901 flat angles P-C4'-P energy: -76.903 tors. eta vs tors. theta energy: -153.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1738.650705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.650705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.650705 (E_RNA) where: Base-Base interactions energy: -1135.275 where: short stacking energy: -487.368 Base-Backbone interact. energy: -1.507 local terms energy: -601.868599 where: bonds (distance) C4'-P energy: -128.512 bonds (distance) P-C4' energy: -135.719 flat angles C4'-P-C4' energy: -117.869 flat angles P-C4'-P energy: -91.867 tors. eta vs tors. theta energy: -127.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1230.842539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.842539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.842539 (E_RNA) where: Base-Base interactions energy: -710.616 where: short stacking energy: -375.466 Base-Backbone interact. energy: -3.590 local terms energy: -516.636538 where: bonds (distance) C4'-P energy: -121.025 bonds (distance) P-C4' energy: -131.789 flat angles C4'-P-C4' energy: -127.233 flat angles P-C4'-P energy: -80.669 tors. eta vs tors. theta energy: -55.920 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -741.753585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.753585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.753585 (E_RNA) where: Base-Base interactions energy: -326.508 where: short stacking energy: -191.458 Base-Backbone interact. energy: -0.107 local terms energy: -415.139242 where: bonds (distance) C4'-P energy: -111.713 bonds (distance) P-C4' energy: -138.358 flat angles C4'-P-C4' energy: -116.232 flat angles P-C4'-P energy: -67.554 tors. eta vs tors. theta energy: 18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -622.278994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.278994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.278994 (E_RNA) where: Base-Base interactions energy: -251.473 where: short stacking energy: -169.575 Base-Backbone interact. energy: 0.872 local terms energy: -371.678487 where: bonds (distance) C4'-P energy: -122.882 bonds (distance) P-C4' energy: -126.857 flat angles C4'-P-C4' energy: -102.751 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: 19.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2655.181008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.181008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.181008 (E_RNA) where: Base-Base interactions energy: -1843.073 where: short stacking energy: -733.091 Base-Backbone interact. energy: -5.656 local terms energy: -806.452126 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -155.404 flat angles C4'-P-C4' energy: -172.377 flat angles P-C4'-P energy: -116.919 tors. eta vs tors. theta energy: -215.500 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: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2587.667665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.667665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.667665 (E_RNA) where: Base-Base interactions energy: -1787.864 where: short stacking energy: -762.312 Base-Backbone interact. energy: 2.228 local terms energy: -802.031890 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -148.315 flat angles C4'-P-C4' energy: -159.239 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -231.345 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: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2378.480638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.480638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.480638 (E_RNA) where: Base-Base interactions energy: -1649.012 where: short stacking energy: -673.202 Base-Backbone interact. energy: -4.253 local terms energy: -725.215231 where: bonds (distance) C4'-P energy: -133.668 bonds (distance) P-C4' energy: -143.979 flat angles C4'-P-C4' energy: -147.170 flat angles P-C4'-P energy: -102.327 tors. eta vs tors. theta energy: -198.072 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: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2304.435571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.435571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.435571 (E_RNA) where: Base-Base interactions energy: -1551.526 where: short stacking energy: -673.332 Base-Backbone interact. energy: -5.302 local terms energy: -747.606868 where: bonds (distance) C4'-P energy: -141.918 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -153.282 flat angles P-C4'-P energy: -108.056 tors. eta vs tors. theta energy: -209.450 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: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2246.938979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.938979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.938979 (E_RNA) where: Base-Base interactions energy: -1545.644 where: short stacking energy: -673.575 Base-Backbone interact. energy: -2.149 local terms energy: -699.146142 where: bonds (distance) C4'-P energy: -117.863 bonds (distance) P-C4' energy: -142.818 flat angles C4'-P-C4' energy: -162.495 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -186.020 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: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1939.014613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.014613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.014613 (E_RNA) where: Base-Base interactions energy: -1307.805 where: short stacking energy: -565.097 Base-Backbone interact. energy: -1.517 local terms energy: -629.693373 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -133.774 flat angles C4'-P-C4' energy: -134.975 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -159.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1781.699816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.699816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.699816 (E_RNA) where: Base-Base interactions energy: -1167.071 where: short stacking energy: -504.418 Base-Backbone interact. energy: 0.541 local terms energy: -615.169592 where: bonds (distance) C4'-P energy: -128.303 bonds (distance) P-C4' energy: -142.410 flat angles C4'-P-C4' energy: -125.470 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -134.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1172.101292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.101292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.101292 (E_RNA) where: Base-Base interactions energy: -672.382 where: short stacking energy: -315.821 Base-Backbone interact. energy: 0.438 local terms energy: -500.156864 where: bonds (distance) C4'-P energy: -106.446 bonds (distance) P-C4' energy: -126.354 flat angles C4'-P-C4' energy: -127.378 flat angles P-C4'-P energy: -74.184 tors. eta vs tors. theta energy: -65.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -699.144823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.144823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.144823 (E_RNA) where: Base-Base interactions energy: -301.622 where: short stacking energy: -207.976 Base-Backbone interact. energy: 3.049 local terms energy: -400.571316 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -118.699 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -63.792 tors. eta vs tors. theta energy: 8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -674.729686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.729686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.729686 (E_RNA) where: Base-Base interactions energy: -307.800 where: short stacking energy: -195.667 Base-Backbone interact. energy: 0.638 local terms energy: -367.567526 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -98.499 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: 6.668 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: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2651.814366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.814366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.814366 (E_RNA) where: Base-Base interactions energy: -1848.826 where: short stacking energy: -773.542 Base-Backbone interact. energy: 0.904 local terms energy: -803.892173 where: bonds (distance) C4'-P energy: -148.914 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -168.997 flat angles P-C4'-P energy: -100.118 tors. eta vs tors. theta energy: -233.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2599.093432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.093432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.093432 (E_RNA) where: Base-Base interactions energy: -1779.994 where: short stacking energy: -742.570 Base-Backbone interact. energy: -3.168 local terms energy: -815.930882 where: bonds (distance) C4'-P energy: -151.019 bonds (distance) P-C4' energy: -144.555 flat angles C4'-P-C4' energy: -174.272 flat angles P-C4'-P energy: -116.643 tors. eta vs tors. theta energy: -229.442 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: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2436.407763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.407763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.407763 (E_RNA) where: Base-Base interactions energy: -1686.708 where: short stacking energy: -684.791 Base-Backbone interact. energy: -3.782 local terms energy: -745.917344 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -143.955 flat angles C4'-P-C4' energy: -156.092 flat angles P-C4'-P energy: -100.133 tors. eta vs tors. theta energy: -210.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2285.833740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.833740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.833740 (E_RNA) where: Base-Base interactions energy: -1554.533 where: short stacking energy: -675.676 Base-Backbone interact. energy: 4.352 local terms energy: -735.653227 where: bonds (distance) C4'-P energy: -138.397 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -160.690 flat angles P-C4'-P energy: -92.543 tors. eta vs tors. theta energy: -194.531 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: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2209.614479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.614479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.614479 (E_RNA) where: Base-Base interactions energy: -1489.143 where: short stacking energy: -659.597 Base-Backbone interact. energy: 0.570 local terms energy: -721.042331 where: bonds (distance) C4'-P energy: -131.479 bonds (distance) P-C4' energy: -139.696 flat angles C4'-P-C4' energy: -148.070 flat angles P-C4'-P energy: -116.363 tors. eta vs tors. theta energy: -185.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1916.743688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.743688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.743688 (E_RNA) where: Base-Base interactions energy: -1274.830 where: short stacking energy: -549.469 Base-Backbone interact. energy: 2.755 local terms energy: -644.669141 where: bonds (distance) C4'-P energy: -122.365 bonds (distance) P-C4' energy: -129.331 flat angles C4'-P-C4' energy: -148.094 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -150.683 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: 349 Temperature: 1.200000 Total energy: -1797.712747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.712747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.712747 (E_RNA) where: Base-Base interactions energy: -1176.627 where: short stacking energy: -535.435 Base-Backbone interact. energy: -2.384 local terms energy: -618.700915 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -121.344 flat angles C4'-P-C4' energy: -142.892 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -155.865 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: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1203.560457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.560457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.560457 (E_RNA) where: Base-Base interactions energy: -730.429 where: short stacking energy: -356.914 Base-Backbone interact. energy: -2.169 local terms energy: -470.962297 where: bonds (distance) C4'-P energy: -105.544 bonds (distance) P-C4' energy: -116.772 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -66.605 tors. eta vs tors. theta energy: -58.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -756.094045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.094045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.094045 (E_RNA) where: Base-Base interactions energy: -323.669 where: short stacking energy: -205.388 Base-Backbone interact. energy: 4.333 local terms energy: -436.758023 where: bonds (distance) C4'-P energy: -128.178 bonds (distance) P-C4' energy: -144.895 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: 18.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -653.050039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.050039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.050039 (E_RNA) where: Base-Base interactions energy: -272.049 where: short stacking energy: -178.255 Base-Backbone interact. energy: 4.438 local terms energy: -385.439378 where: bonds (distance) C4'-P energy: -115.420 bonds (distance) P-C4' energy: -118.951 flat angles C4'-P-C4' energy: -107.708 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: 20.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2678.658133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.658133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.658133 (E_RNA) where: Base-Base interactions energy: -1840.307 where: short stacking energy: -775.893 Base-Backbone interact. energy: -1.355 local terms energy: -836.995978 where: bonds (distance) C4'-P energy: -141.907 bonds (distance) P-C4' energy: -164.257 flat angles C4'-P-C4' energy: -176.146 flat angles P-C4'-P energy: -122.652 tors. eta vs tors. theta energy: -232.034 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2578.536515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.536515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.536515 (E_RNA) where: Base-Base interactions energy: -1756.246 where: short stacking energy: -755.218 Base-Backbone interact. energy: 0.589 local terms energy: -822.879304 where: bonds (distance) C4'-P energy: -161.786 bonds (distance) P-C4' energy: -145.493 flat angles C4'-P-C4' energy: -174.040 flat angles P-C4'-P energy: -109.676 tors. eta vs tors. theta energy: -231.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2406.918436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.918436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.918436 (E_RNA) where: Base-Base interactions energy: -1637.898 where: short stacking energy: -694.362 Base-Backbone interact. energy: -4.219 local terms energy: -764.801680 where: bonds (distance) C4'-P energy: -153.019 bonds (distance) P-C4' energy: -140.718 flat angles C4'-P-C4' energy: -153.566 flat angles P-C4'-P energy: -109.057 tors. eta vs tors. theta energy: -208.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2255.021879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.021879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.021879 (E_RNA) where: Base-Base interactions energy: -1517.133 where: short stacking energy: -651.710 Base-Backbone interact. energy: -0.173 local terms energy: -737.715471 where: bonds (distance) C4'-P energy: -143.844 bonds (distance) P-C4' energy: -144.878 flat angles C4'-P-C4' energy: -156.842 flat angles P-C4'-P energy: -102.578 tors. eta vs tors. theta energy: -189.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2152.802529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.802529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.802529 (E_RNA) where: Base-Base interactions energy: -1448.996 where: short stacking energy: -614.978 Base-Backbone interact. energy: -0.574 local terms energy: -703.231874 where: bonds (distance) C4'-P energy: -123.628 bonds (distance) P-C4' energy: -135.169 flat angles C4'-P-C4' energy: -150.260 flat angles P-C4'-P energy: -105.923 tors. eta vs tors. theta energy: -188.251 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: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1943.312501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.312501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.312501 (E_RNA) where: Base-Base interactions energy: -1306.004 where: short stacking energy: -564.228 Base-Backbone interact. energy: -2.279 local terms energy: -635.028764 where: bonds (distance) C4'-P energy: -129.341 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -153.814 flat angles P-C4'-P energy: -85.638 tors. eta vs tors. theta energy: -146.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1798.992421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.992421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.992421 (E_RNA) where: Base-Base interactions energy: -1180.373 where: short stacking energy: -520.436 Base-Backbone interact. energy: -1.405 local terms energy: -617.214746 where: bonds (distance) C4'-P energy: -109.704 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -159.338 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -144.490 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: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1202.897600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.897600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.897600 (E_RNA) where: Base-Base interactions energy: -715.205 where: short stacking energy: -345.775 Base-Backbone interact. energy: 1.696 local terms energy: -489.388821 where: bonds (distance) C4'-P energy: -126.385 bonds (distance) P-C4' energy: -135.910 flat angles C4'-P-C4' energy: -126.300 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -48.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -688.685129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.685129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.685129 (E_RNA) where: Base-Base interactions energy: -286.275 where: short stacking energy: -183.492 Base-Backbone interact. energy: -2.710 local terms energy: -399.699848 where: bonds (distance) C4'-P energy: -107.946 bonds (distance) P-C4' energy: -152.914 flat angles C4'-P-C4' energy: -119.596 flat angles P-C4'-P energy: -37.184 tors. eta vs tors. theta energy: 17.941 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: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -608.215307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.215307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.215307 (E_RNA) where: Base-Base interactions energy: -248.773 where: short stacking energy: -145.624 Base-Backbone interact. energy: 6.955 local terms energy: -366.398137 where: bonds (distance) C4'-P energy: -127.373 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -97.827 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: 32.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2662.221384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.221384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.221384 (E_RNA) where: Base-Base interactions energy: -1827.502 where: short stacking energy: -773.017 Base-Backbone interact. energy: -4.933 local terms energy: -829.786375 where: bonds (distance) C4'-P energy: -150.616 bonds (distance) P-C4' energy: -162.294 flat angles C4'-P-C4' energy: -168.493 flat angles P-C4'-P energy: -125.566 tors. eta vs tors. theta energy: -222.818 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: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2582.533866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.533866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.533866 (E_RNA) where: Base-Base interactions energy: -1782.526 where: short stacking energy: -738.268 Base-Backbone interact. energy: 0.534 local terms energy: -800.542186 where: bonds (distance) C4'-P energy: -143.987 bonds (distance) P-C4' energy: -138.064 flat angles C4'-P-C4' energy: -166.470 flat angles P-C4'-P energy: -123.089 tors. eta vs tors. theta energy: -228.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2412.149151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.149151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.149151 (E_RNA) where: Base-Base interactions energy: -1676.955 where: short stacking energy: -672.463 Base-Backbone interact. energy: 0.310 local terms energy: -735.504151 where: bonds (distance) C4'-P energy: -150.658 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -155.425 flat angles P-C4'-P energy: -102.231 tors. eta vs tors. theta energy: -195.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2259.456469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.456469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.456469 (E_RNA) where: Base-Base interactions energy: -1527.912 where: short stacking energy: -642.449 Base-Backbone interact. energy: -5.154 local terms energy: -726.390286 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -135.718 flat angles C4'-P-C4' energy: -162.104 flat angles P-C4'-P energy: -100.609 tors. eta vs tors. theta energy: -187.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2177.970870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.970870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.970870 (E_RNA) where: Base-Base interactions energy: -1484.921 where: short stacking energy: -626.921 Base-Backbone interact. energy: 1.954 local terms energy: -695.003733 where: bonds (distance) C4'-P energy: -118.317 bonds (distance) P-C4' energy: -144.292 flat angles C4'-P-C4' energy: -162.346 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -182.858 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: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1965.580511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.580511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.580511 (E_RNA) where: Base-Base interactions energy: -1329.184 where: short stacking energy: -528.894 Base-Backbone interact. energy: -0.572 local terms energy: -635.825089 where: bonds (distance) C4'-P energy: -117.712 bonds (distance) P-C4' energy: -144.585 flat angles C4'-P-C4' energy: -148.081 flat angles P-C4'-P energy: -74.047 tors. eta vs tors. theta energy: -151.399 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: 351 Temperature: 1.200000 Total energy: -1746.352758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.352758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.352758 (E_RNA) where: Base-Base interactions energy: -1128.698 where: short stacking energy: -514.589 Base-Backbone interact. energy: -3.256 local terms energy: -614.399136 where: bonds (distance) C4'-P energy: -143.127 bonds (distance) P-C4' energy: -103.338 flat angles C4'-P-C4' energy: -141.884 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -136.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1201.824729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.824729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.824729 (E_RNA) where: Base-Base interactions energy: -710.890 where: short stacking energy: -331.926 Base-Backbone interact. energy: 7.779 local terms energy: -498.713833 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -121.603 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -71.811 tors. eta vs tors. theta energy: -61.833 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: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -653.388735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.388735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.388735 (E_RNA) where: Base-Base interactions energy: -241.458 where: short stacking energy: -155.976 Base-Backbone interact. energy: -2.793 local terms energy: -409.137986 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -144.463 flat angles C4'-P-C4' energy: -118.136 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: 31.143 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: 351 Temperature: 1.350000 Total energy: -614.600855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.600855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.600855 (E_RNA) where: Base-Base interactions energy: -242.628 where: short stacking energy: -156.464 Base-Backbone interact. energy: 0.278 local terms energy: -372.250600 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -117.726 flat angles C4'-P-C4' energy: -100.882 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: 5.653 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: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2676.120685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.120685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.120685 (E_RNA) where: Base-Base interactions energy: -1860.945 where: short stacking energy: -791.200 Base-Backbone interact. energy: -0.459 local terms energy: -814.716783 where: bonds (distance) C4'-P energy: -153.441 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -174.355 flat angles P-C4'-P energy: -109.438 tors. eta vs tors. theta energy: -239.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2598.018352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.018352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.018352 (E_RNA) where: Base-Base interactions energy: -1762.816 where: short stacking energy: -718.553 Base-Backbone interact. energy: -4.470 local terms energy: -830.731804 where: bonds (distance) C4'-P energy: -149.335 bonds (distance) P-C4' energy: -157.236 flat angles C4'-P-C4' energy: -181.303 flat angles P-C4'-P energy: -115.324 tors. eta vs tors. theta energy: -227.534 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: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2374.407408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.407408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.407408 (E_RNA) where: Base-Base interactions energy: -1638.419 where: short stacking energy: -668.557 Base-Backbone interact. energy: -1.987 local terms energy: -734.000962 where: bonds (distance) C4'-P energy: -138.358 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -154.388 flat angles P-C4'-P energy: -106.199 tors. eta vs tors. theta energy: -196.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2249.510934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.510934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.510934 (E_RNA) where: Base-Base interactions energy: -1519.676 where: short stacking energy: -622.260 Base-Backbone interact. energy: -3.064 local terms energy: -726.771440 where: bonds (distance) C4'-P energy: -134.533 bonds (distance) P-C4' energy: -146.059 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -102.573 tors. eta vs tors. theta energy: -189.243 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: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2140.719352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.719352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.719352 (E_RNA) where: Base-Base interactions energy: -1465.490 where: short stacking energy: -605.080 Base-Backbone interact. energy: 1.730 local terms energy: -676.959673 where: bonds (distance) C4'-P energy: -124.715 bonds (distance) P-C4' energy: -146.938 flat angles C4'-P-C4' energy: -133.239 flat angles P-C4'-P energy: -97.515 tors. eta vs tors. theta energy: -174.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1910.692903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.692903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.692903 (E_RNA) where: Base-Base interactions energy: -1247.202 where: short stacking energy: -525.808 Base-Backbone interact. energy: -1.320 local terms energy: -662.171451 where: bonds (distance) C4'-P energy: -144.738 bonds (distance) P-C4' energy: -146.554 flat angles C4'-P-C4' energy: -140.624 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -133.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1713.247729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.247729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.247729 (E_RNA) where: Base-Base interactions energy: -1134.188 where: short stacking energy: -489.765 Base-Backbone interact. energy: -3.167 local terms energy: -575.892277 where: bonds (distance) C4'-P energy: -130.148 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -141.031 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -122.504 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: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1249.437087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.437087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.437087 (E_RNA) where: Base-Base interactions energy: -747.178 where: short stacking energy: -364.963 Base-Backbone interact. energy: -2.880 local terms energy: -499.379672 where: bonds (distance) C4'-P energy: -123.657 bonds (distance) P-C4' energy: -129.022 flat angles C4'-P-C4' energy: -129.735 flat angles P-C4'-P energy: -63.623 tors. eta vs tors. theta energy: -53.342 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: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -643.360375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.360375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.360375 (E_RNA) where: Base-Base interactions energy: -232.461 where: short stacking energy: -178.871 Base-Backbone interact. energy: 0.725 local terms energy: -411.624317 where: bonds (distance) C4'-P energy: -135.029 bonds (distance) P-C4' energy: -140.611 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: 36.665 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: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -626.170705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.170705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.170705 (E_RNA) where: Base-Base interactions energy: -258.236 where: short stacking energy: -177.245 Base-Backbone interact. energy: 2.556 local terms energy: -370.491125 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -88.428 flat angles P-C4'-P energy: -55.815 tors. eta vs tors. theta energy: 27.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2673.479686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.479686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.479686 (E_RNA) where: Base-Base interactions energy: -1826.516 where: short stacking energy: -760.310 Base-Backbone interact. energy: -4.557 local terms energy: -842.405974 where: bonds (distance) C4'-P energy: -148.064 bonds (distance) P-C4' energy: -167.230 flat angles C4'-P-C4' energy: -179.133 flat angles P-C4'-P energy: -116.827 tors. eta vs tors. theta energy: -231.153 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: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2594.602257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.602257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.602257 (E_RNA) where: Base-Base interactions energy: -1781.784 where: short stacking energy: -727.620 Base-Backbone interact. energy: -2.883 local terms energy: -809.934982 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -159.433 flat angles C4'-P-C4' energy: -169.266 flat angles P-C4'-P energy: -109.886 tors. eta vs tors. theta energy: -226.783 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2365.140450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.140450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.140450 (E_RNA) where: Base-Base interactions energy: -1643.457 where: short stacking energy: -670.244 Base-Backbone interact. energy: -0.110 local terms energy: -721.572953 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -140.972 flat angles C4'-P-C4' energy: -162.667 flat angles P-C4'-P energy: -99.483 tors. eta vs tors. theta energy: -194.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2272.640181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.640181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.640181 (E_RNA) where: Base-Base interactions energy: -1527.992 where: short stacking energy: -651.935 Base-Backbone interact. energy: -2.717 local terms energy: -741.930876 where: bonds (distance) C4'-P energy: -140.068 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -163.995 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -194.673 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: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2136.857572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.857572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.857572 (E_RNA) where: Base-Base interactions energy: -1447.148 where: short stacking energy: -608.160 Base-Backbone interact. energy: -3.489 local terms energy: -686.221165 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -133.248 flat angles C4'-P-C4' energy: -144.914 flat angles P-C4'-P energy: -105.811 tors. eta vs tors. theta energy: -179.076 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1902.636635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.636635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.636635 (E_RNA) where: Base-Base interactions energy: -1281.615 where: short stacking energy: -533.441 Base-Backbone interact. energy: -0.589 local terms energy: -620.432686 where: bonds (distance) C4'-P energy: -131.809 bonds (distance) P-C4' energy: -120.983 flat angles C4'-P-C4' energy: -137.836 flat angles P-C4'-P energy: -94.647 tors. eta vs tors. theta energy: -135.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1664.493029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.493029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.493029 (E_RNA) where: Base-Base interactions energy: -1039.774 where: short stacking energy: -471.295 Base-Backbone interact. energy: -3.267 local terms energy: -621.452335 where: bonds (distance) C4'-P energy: -147.726 bonds (distance) P-C4' energy: -132.529 flat angles C4'-P-C4' energy: -138.127 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -125.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1255.788784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.788784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.788784 (E_RNA) where: Base-Base interactions energy: -749.653 where: short stacking energy: -346.043 Base-Backbone interact. energy: 2.883 local terms energy: -509.018326 where: bonds (distance) C4'-P energy: -129.080 bonds (distance) P-C4' energy: -129.287 flat angles C4'-P-C4' energy: -118.946 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -67.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -638.035147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.035147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.035147 (E_RNA) where: Base-Base interactions energy: -233.135 where: short stacking energy: -176.277 Base-Backbone interact. energy: 0.294 local terms energy: -405.193778 where: bonds (distance) C4'-P energy: -127.596 bonds (distance) P-C4' energy: -128.736 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: 8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -639.641848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.641848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.641848 (E_RNA) where: Base-Base interactions energy: -249.095 where: short stacking energy: -162.745 Base-Backbone interact. energy: -0.426 local terms energy: -390.121584 where: bonds (distance) C4'-P energy: -114.067 bonds (distance) P-C4' energy: -139.156 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: 24.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2692.641853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.641853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.641853 (E_RNA) where: Base-Base interactions energy: -1855.769 where: short stacking energy: -775.546 Base-Backbone interact. energy: -2.387 local terms energy: -834.486103 where: bonds (distance) C4'-P energy: -156.959 bonds (distance) P-C4' energy: -140.390 flat angles C4'-P-C4' energy: -174.112 flat angles P-C4'-P energy: -124.514 tors. eta vs tors. theta energy: -238.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2560.328776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.328776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.328776 (E_RNA) where: Base-Base interactions energy: -1768.200 where: short stacking energy: -725.502 Base-Backbone interact. energy: -4.082 local terms energy: -788.046914 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -149.909 flat angles C4'-P-C4' energy: -169.929 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -225.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2328.573311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.573311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.573311 (E_RNA) where: Base-Base interactions energy: -1576.270 where: short stacking energy: -672.554 Base-Backbone interact. energy: -5.369 local terms energy: -746.934202 where: bonds (distance) C4'-P energy: -138.611 bonds (distance) P-C4' energy: -158.723 flat angles C4'-P-C4' energy: -153.183 flat angles P-C4'-P energy: -99.789 tors. eta vs tors. theta energy: -196.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2271.681329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.681329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.681329 (E_RNA) where: Base-Base interactions energy: -1537.262 where: short stacking energy: -662.763 Base-Backbone interact. energy: -2.816 local terms energy: -731.603186 where: bonds (distance) C4'-P energy: -142.386 bonds (distance) P-C4' energy: -137.719 flat angles C4'-P-C4' energy: -154.486 flat angles P-C4'-P energy: -101.598 tors. eta vs tors. theta energy: -195.415 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: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2145.257107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.257107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.257107 (E_RNA) where: Base-Base interactions energy: -1442.561 where: short stacking energy: -614.020 Base-Backbone interact. energy: -0.836 local terms energy: -701.860009 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -161.704 flat angles C4'-P-C4' energy: -155.592 flat angles P-C4'-P energy: -98.591 tors. eta vs tors. theta energy: -172.689 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: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2064.327098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.327098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.327098 (E_RNA) where: Base-Base interactions energy: -1337.890 where: short stacking energy: -583.697 Base-Backbone interact. energy: 0.844 local terms energy: -727.281300 where: bonds (distance) C4'-P energy: -152.768 bonds (distance) P-C4' energy: -151.736 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -105.980 tors. eta vs tors. theta energy: -176.627 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: 354 Temperature: 1.200000 Total energy: -1608.663895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.663895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.663895 (E_RNA) where: Base-Base interactions energy: -1030.968 where: short stacking energy: -440.310 Base-Backbone interact. energy: 0.544 local terms energy: -578.239712 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -132.812 flat angles C4'-P-C4' energy: -137.862 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -101.259 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: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1247.140659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.140659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.140659 (E_RNA) where: Base-Base interactions energy: -707.608 where: short stacking energy: -349.863 Base-Backbone interact. energy: 3.050 local terms energy: -542.582957 where: bonds (distance) C4'-P energy: -128.241 bonds (distance) P-C4' energy: -139.126 flat angles C4'-P-C4' energy: -127.303 flat angles P-C4'-P energy: -79.764 tors. eta vs tors. theta energy: -68.149 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: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -663.538692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.538692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.538692 (E_RNA) where: Base-Base interactions energy: -282.310 where: short stacking energy: -199.388 Base-Backbone interact. energy: -1.281 local terms energy: -379.947950 where: bonds (distance) C4'-P energy: -130.902 bonds (distance) P-C4' energy: -115.119 flat angles C4'-P-C4' energy: -104.059 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: 18.346 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: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -544.645740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.645740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.645740 (E_RNA) where: Base-Base interactions energy: -205.036 where: short stacking energy: -158.810 Base-Backbone interact. energy: 3.709 local terms energy: -343.319065 where: bonds (distance) C4'-P energy: -107.982 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -86.067 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: 39.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2674.608015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.608015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.608015 (E_RNA) where: Base-Base interactions energy: -1837.796 where: short stacking energy: -770.069 Base-Backbone interact. energy: 1.631 local terms energy: -838.443692 where: bonds (distance) C4'-P energy: -151.428 bonds (distance) P-C4' energy: -158.831 flat angles C4'-P-C4' energy: -178.179 flat angles P-C4'-P energy: -122.625 tors. eta vs tors. theta energy: -227.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2597.842664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.842664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.842664 (E_RNA) where: Base-Base interactions energy: -1773.687 where: short stacking energy: -750.515 Base-Backbone interact. energy: -5.609 local terms energy: -818.545922 where: bonds (distance) C4'-P energy: -145.481 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -169.470 flat angles P-C4'-P energy: -112.468 tors. eta vs tors. theta energy: -234.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2371.406974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.406974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.406974 (E_RNA) where: Base-Base interactions energy: -1642.029 where: short stacking energy: -680.961 Base-Backbone interact. energy: -0.544 local terms energy: -728.833868 where: bonds (distance) C4'-P energy: -135.662 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -154.609 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -191.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2253.009259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.009259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.009259 (E_RNA) where: Base-Base interactions energy: -1534.123 where: short stacking energy: -662.115 Base-Backbone interact. energy: -2.666 local terms energy: -716.220402 where: bonds (distance) C4'-P energy: -143.690 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -157.941 flat angles P-C4'-P energy: -85.456 tors. eta vs tors. theta energy: -178.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2188.122303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.122303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.122303 (E_RNA) where: Base-Base interactions energy: -1448.144 where: short stacking energy: -643.850 Base-Backbone interact. energy: -2.297 local terms energy: -737.680533 where: bonds (distance) C4'-P energy: -128.705 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -170.670 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -193.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1956.929920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.929920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.929920 (E_RNA) where: Base-Base interactions energy: -1314.869 where: short stacking energy: -559.147 Base-Backbone interact. energy: -1.477 local terms energy: -640.584264 where: bonds (distance) C4'-P energy: -118.884 bonds (distance) P-C4' energy: -126.139 flat angles C4'-P-C4' energy: -145.790 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -156.961 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: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1704.428590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.428590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.428590 (E_RNA) where: Base-Base interactions energy: -1089.445 where: short stacking energy: -487.069 Base-Backbone interact. energy: -2.824 local terms energy: -612.159317 where: bonds (distance) C4'-P energy: -125.883 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -137.968 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -130.637 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: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1265.877730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.877730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.877730 (E_RNA) where: Base-Base interactions energy: -750.123 where: short stacking energy: -292.514 Base-Backbone interact. energy: -3.852 local terms energy: -511.902118 where: bonds (distance) C4'-P energy: -128.528 bonds (distance) P-C4' energy: -140.899 flat angles C4'-P-C4' energy: -129.321 flat angles P-C4'-P energy: -81.022 tors. eta vs tors. theta energy: -32.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -674.214499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.214499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.214499 (E_RNA) where: Base-Base interactions energy: -284.897 where: short stacking energy: -191.873 Base-Backbone interact. energy: -1.712 local terms energy: -387.605263 where: bonds (distance) C4'-P energy: -106.746 bonds (distance) P-C4' energy: -129.853 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: 32.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -591.859483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.859483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.859483 (E_RNA) where: Base-Base interactions energy: -225.161 where: short stacking energy: -160.787 Base-Backbone interact. energy: 3.558 local terms energy: -370.256628 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -135.223 flat angles C4'-P-C4' energy: -102.135 flat angles P-C4'-P energy: -50.616 tors. eta vs tors. theta energy: 26.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2671.131125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.131125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.131125 (E_RNA) where: Base-Base interactions energy: -1858.497 where: short stacking energy: -788.777 Base-Backbone interact. energy: -2.781 local terms energy: -809.853299 where: bonds (distance) C4'-P energy: -143.455 bonds (distance) P-C4' energy: -158.751 flat angles C4'-P-C4' energy: -164.176 flat angles P-C4'-P energy: -112.415 tors. eta vs tors. theta energy: -231.057 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: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2561.126330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.126330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.126330 (E_RNA) where: Base-Base interactions energy: -1758.602 where: short stacking energy: -725.313 Base-Backbone interact. energy: -2.200 local terms energy: -800.324206 where: bonds (distance) C4'-P energy: -145.311 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -174.918 flat angles P-C4'-P energy: -115.160 tors. eta vs tors. theta energy: -229.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2330.572052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.572052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.572052 (E_RNA) where: Base-Base interactions energy: -1612.239 where: short stacking energy: -668.271 Base-Backbone interact. energy: 5.928 local terms energy: -724.260913 where: bonds (distance) C4'-P energy: -122.394 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -166.886 flat angles P-C4'-P energy: -104.838 tors. eta vs tors. theta energy: -188.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2259.265922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.265922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.265922 (E_RNA) where: Base-Base interactions energy: -1510.994 where: short stacking energy: -648.600 Base-Backbone interact. energy: -4.160 local terms energy: -744.111797 where: bonds (distance) C4'-P energy: -136.766 bonds (distance) P-C4' energy: -148.018 flat angles C4'-P-C4' energy: -149.633 flat angles P-C4'-P energy: -116.344 tors. eta vs tors. theta energy: -193.351 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: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2201.236978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.236978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.236978 (E_RNA) where: Base-Base interactions energy: -1486.812 where: short stacking energy: -637.616 Base-Backbone interact. energy: -1.333 local terms energy: -713.092674 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -150.560 flat angles P-C4'-P energy: -100.869 tors. eta vs tors. theta energy: -187.242 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: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1963.942558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.942558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.942558 (E_RNA) where: Base-Base interactions energy: -1280.853 where: short stacking energy: -548.462 Base-Backbone interact. energy: -1.544 local terms energy: -681.546085 where: bonds (distance) C4'-P energy: -142.972 bonds (distance) P-C4' energy: -147.551 flat angles C4'-P-C4' energy: -138.214 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -161.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1607.485778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.485778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.485778 (E_RNA) where: Base-Base interactions energy: -1021.488 where: short stacking energy: -428.980 Base-Backbone interact. energy: -3.974 local terms energy: -582.023763 where: bonds (distance) C4'-P energy: -128.269 bonds (distance) P-C4' energy: -133.652 flat angles C4'-P-C4' energy: -133.244 flat angles P-C4'-P energy: -83.832 tors. eta vs tors. theta energy: -103.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1320.892819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.892819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.892819 (E_RNA) where: Base-Base interactions energy: -803.734 where: short stacking energy: -385.553 Base-Backbone interact. energy: 0.301 local terms energy: -517.459874 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -113.727 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -70.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -682.726455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.726455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.726455 (E_RNA) where: Base-Base interactions energy: -296.306 where: short stacking energy: -214.133 Base-Backbone interact. energy: 2.909 local terms energy: -389.329980 where: bonds (distance) C4'-P energy: -128.300 bonds (distance) P-C4' energy: -122.862 flat angles C4'-P-C4' energy: -100.122 flat angles P-C4'-P energy: -44.379 tors. eta vs tors. theta energy: 6.333 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -569.287743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.287743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.287743 (E_RNA) where: Base-Base interactions energy: -186.781 where: short stacking energy: -142.217 Base-Backbone interact. energy: -0.427 local terms energy: -382.080173 where: bonds (distance) C4'-P energy: -129.902 bonds (distance) P-C4' energy: -131.113 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -28.623 tors. eta vs tors. theta energy: 31.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2667.196680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.196680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.196680 (E_RNA) where: Base-Base interactions energy: -1818.677 where: short stacking energy: -763.220 Base-Backbone interact. energy: -1.917 local terms energy: -846.602817 where: bonds (distance) C4'-P energy: -158.202 bonds (distance) P-C4' energy: -152.327 flat angles C4'-P-C4' energy: -171.934 flat angles P-C4'-P energy: -122.910 tors. eta vs tors. theta energy: -241.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2525.911790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.911790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.911790 (E_RNA) where: Base-Base interactions energy: -1760.980 where: short stacking energy: -723.017 Base-Backbone interact. energy: -1.189 local terms energy: -763.743349 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -140.074 flat angles C4'-P-C4' energy: -165.928 flat angles P-C4'-P energy: -112.040 tors. eta vs tors. theta energy: -219.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2350.189181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.189181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.189181 (E_RNA) where: Base-Base interactions energy: -1588.191 where: short stacking energy: -642.438 Base-Backbone interact. energy: -1.484 local terms energy: -760.514640 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -145.713 flat angles C4'-P-C4' energy: -166.060 flat angles P-C4'-P energy: -105.667 tors. eta vs tors. theta energy: -197.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2274.706132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.706132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.706132 (E_RNA) where: Base-Base interactions energy: -1539.189 where: short stacking energy: -649.653 Base-Backbone interact. energy: -1.512 local terms energy: -734.004582 where: bonds (distance) C4'-P energy: -142.132 bonds (distance) P-C4' energy: -137.173 flat angles C4'-P-C4' energy: -153.884 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -190.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2165.985553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.985553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.985553 (E_RNA) where: Base-Base interactions energy: -1473.149 where: short stacking energy: -642.324 Base-Backbone interact. energy: -1.896 local terms energy: -690.940630 where: bonds (distance) C4'-P energy: -147.943 bonds (distance) P-C4' energy: -127.525 flat angles C4'-P-C4' energy: -150.463 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -190.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1992.883106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.883106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.883106 (E_RNA) where: Base-Base interactions energy: -1329.006 where: short stacking energy: -551.377 Base-Backbone interact. energy: -3.927 local terms energy: -659.950331 where: bonds (distance) C4'-P energy: -120.495 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -162.960 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: 357 Temperature: 1.200000 Total energy: -1584.787050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.787050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.787050 (E_RNA) where: Base-Base interactions energy: -1005.639 where: short stacking energy: -431.881 Base-Backbone interact. energy: -3.440 local terms energy: -575.707520 where: bonds (distance) C4'-P energy: -109.688 bonds (distance) P-C4' energy: -152.478 flat angles C4'-P-C4' energy: -145.023 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: -94.713 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: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1331.130469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.130469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.130469 (E_RNA) where: Base-Base interactions energy: -815.522 where: short stacking energy: -382.240 Base-Backbone interact. energy: 0.355 local terms energy: -515.963679 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -138.148 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: -63.644 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: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -712.083021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.083021 (E_RNA) where: Base-Base interactions energy: -300.808 where: short stacking energy: -208.603 Base-Backbone interact. energy: -0.395 local terms energy: -410.880509 where: bonds (distance) C4'-P energy: -135.350 bonds (distance) P-C4' energy: -127.729 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -61.329 tors. eta vs tors. theta energy: 6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -643.477983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.477983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.477983 (E_RNA) where: Base-Base interactions energy: -265.311 where: short stacking energy: -158.055 Base-Backbone interact. energy: 3.999 local terms energy: -382.166318 where: bonds (distance) C4'-P energy: -131.085 bonds (distance) P-C4' energy: -134.296 flat angles C4'-P-C4' energy: -89.425 flat angles P-C4'-P energy: -52.691 tors. eta vs tors. theta energy: 25.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2678.389973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.389973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.389973 (E_RNA) where: Base-Base interactions energy: -1833.561 where: short stacking energy: -775.036 Base-Backbone interact. energy: -3.305 local terms energy: -841.523679 where: bonds (distance) C4'-P energy: -155.288 bonds (distance) P-C4' energy: -161.153 flat angles C4'-P-C4' energy: -171.924 flat angles P-C4'-P energy: -121.381 tors. eta vs tors. theta energy: -231.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2538.785412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.785412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.785412 (E_RNA) where: Base-Base interactions energy: -1746.583 where: short stacking energy: -736.521 Base-Backbone interact. energy: -4.293 local terms energy: -787.908908 where: bonds (distance) C4'-P energy: -132.383 bonds (distance) P-C4' energy: -158.402 flat angles C4'-P-C4' energy: -176.263 flat angles P-C4'-P energy: -95.898 tors. eta vs tors. theta energy: -224.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2403.922864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.922864 (E_RNA) where: Base-Base interactions energy: -1632.924 where: short stacking energy: -678.077 Base-Backbone interact. energy: -3.159 local terms energy: -767.839723 where: bonds (distance) C4'-P energy: -139.100 bonds (distance) P-C4' energy: -149.014 flat angles C4'-P-C4' energy: -165.676 flat angles P-C4'-P energy: -112.030 tors. eta vs tors. theta energy: -202.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2254.221231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.221231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.221231 (E_RNA) where: Base-Base interactions energy: -1531.728 where: short stacking energy: -649.527 Base-Backbone interact. energy: -3.502 local terms energy: -718.991594 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -142.535 flat angles C4'-P-C4' energy: -155.223 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -193.209 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: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2203.503406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.503406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.503406 (E_RNA) where: Base-Base interactions energy: -1517.935 where: short stacking energy: -643.666 Base-Backbone interact. energy: -0.497 local terms energy: -685.071376 where: bonds (distance) C4'-P energy: -117.891 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -167.124 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: -189.564 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: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1992.874984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.874984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.874984 (E_RNA) where: Base-Base interactions energy: -1355.495 where: short stacking energy: -584.249 Base-Backbone interact. energy: -0.802 local terms energy: -636.578698 where: bonds (distance) C4'-P energy: -135.340 bonds (distance) P-C4' energy: -122.271 flat angles C4'-P-C4' energy: -141.380 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -150.830 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: 7, replica: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1785.565186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.565186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.565186 (E_RNA) where: Base-Base interactions energy: -1171.797 where: short stacking energy: -495.276 Base-Backbone interact. energy: -2.344 local terms energy: -611.423783 where: bonds (distance) C4'-P energy: -123.975 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -126.596 flat angles P-C4'-P energy: -104.971 tors. eta vs tors. theta energy: -141.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1274.904572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.904572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.904572 (E_RNA) where: Base-Base interactions energy: -783.507 where: short stacking energy: -365.476 Base-Backbone interact. energy: -0.684 local terms energy: -490.713774 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -113.596 flat angles C4'-P-C4' energy: -138.468 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -44.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -754.603549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.603549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.603549 (E_RNA) where: Base-Base interactions energy: -335.345 where: short stacking energy: -206.808 Base-Backbone interact. energy: 0.385 local terms energy: -419.644271 where: bonds (distance) C4'-P energy: -129.122 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: 17.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -548.342811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.342811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.342811 (E_RNA) where: Base-Base interactions energy: -175.923 where: short stacking energy: -147.539 Base-Backbone interact. energy: -3.234 local terms energy: -369.185456 where: bonds (distance) C4'-P energy: -133.743 bonds (distance) P-C4' energy: -134.370 flat angles C4'-P-C4' energy: -102.949 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: 40.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2695.685694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.685694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.685694 (E_RNA) where: Base-Base interactions energy: -1842.636 where: short stacking energy: -769.144 Base-Backbone interact. energy: -2.137 local terms energy: -850.912502 where: bonds (distance) C4'-P energy: -154.734 bonds (distance) P-C4' energy: -151.745 flat angles C4'-P-C4' energy: -186.520 flat angles P-C4'-P energy: -121.892 tors. eta vs tors. theta energy: -236.022 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: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2553.156590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.156590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.156590 (E_RNA) where: Base-Base interactions energy: -1755.705 where: short stacking energy: -741.082 Base-Backbone interact. energy: 4.305 local terms energy: -801.756890 where: bonds (distance) C4'-P energy: -158.652 bonds (distance) P-C4' energy: -144.187 flat angles C4'-P-C4' energy: -165.173 flat angles P-C4'-P energy: -107.228 tors. eta vs tors. theta energy: -226.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2318.860095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.860095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.860095 (E_RNA) where: Base-Base interactions energy: -1589.618 where: short stacking energy: -658.164 Base-Backbone interact. energy: 3.786 local terms energy: -733.027311 where: bonds (distance) C4'-P energy: -152.597 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -150.617 flat angles P-C4'-P energy: -101.941 tors. eta vs tors. theta energy: -188.778 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: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2245.395957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.395957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.395957 (E_RNA) where: Base-Base interactions energy: -1543.304 where: short stacking energy: -640.247 Base-Backbone interact. energy: -2.128 local terms energy: -699.964479 where: bonds (distance) C4'-P energy: -130.093 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -93.146 tors. eta vs tors. theta energy: -192.855 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: 359 Temperature: 1.100000 Total energy: -2230.827408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.827408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.827408 (E_RNA) where: Base-Base interactions energy: -1502.709 where: short stacking energy: -640.702 Base-Backbone interact. energy: -2.298 local terms energy: -725.820490 where: bonds (distance) C4'-P energy: -135.290 bonds (distance) P-C4' energy: -152.223 flat angles C4'-P-C4' energy: -141.441 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -184.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1974.148128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.148128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.148128 (E_RNA) where: Base-Base interactions energy: -1314.778 where: short stacking energy: -569.032 Base-Backbone interact. energy: 2.037 local terms energy: -661.407870 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -119.746 flat angles C4'-P-C4' energy: -151.039 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -159.554 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: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1709.751259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.751259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.751259 (E_RNA) where: Base-Base interactions energy: -1114.834 where: short stacking energy: -476.900 Base-Backbone interact. energy: 0.671 local terms energy: -595.588148 where: bonds (distance) C4'-P energy: -133.045 bonds (distance) P-C4' energy: -142.840 flat angles C4'-P-C4' energy: -130.761 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -107.689 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: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1301.659019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.659019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.659019 (E_RNA) where: Base-Base interactions energy: -790.238 where: short stacking energy: -347.578 Base-Backbone interact. energy: -2.166 local terms energy: -509.255614 where: bonds (distance) C4'-P energy: -119.520 bonds (distance) P-C4' energy: -123.627 flat angles C4'-P-C4' energy: -119.273 flat angles P-C4'-P energy: -83.508 tors. eta vs tors. theta energy: -63.328 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: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -731.424327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.424327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.424327 (E_RNA) where: Base-Base interactions energy: -335.059 where: short stacking energy: -210.453 Base-Backbone interact. energy: -1.073 local terms energy: -395.292426 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -125.043 flat angles C4'-P-C4' energy: -119.331 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: 22.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -551.575202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.575202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.575202 (E_RNA) where: Base-Base interactions energy: -189.873 where: short stacking energy: -120.361 Base-Backbone interact. energy: 0.145 local terms energy: -361.847518 where: bonds (distance) C4'-P energy: -130.674 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -90.316 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: 41.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2665.875471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.875471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.875471 (E_RNA) where: Base-Base interactions energy: -1817.464 where: short stacking energy: -757.393 Base-Backbone interact. energy: -2.778 local terms energy: -845.632735 where: bonds (distance) C4'-P energy: -150.419 bonds (distance) P-C4' energy: -148.475 flat angles C4'-P-C4' energy: -181.556 flat angles P-C4'-P energy: -129.932 tors. eta vs tors. theta energy: -235.250 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: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2571.475295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.475295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.475295 (E_RNA) where: Base-Base interactions energy: -1800.256 where: short stacking energy: -751.526 Base-Backbone interact. energy: 0.357 local terms energy: -771.576535 where: bonds (distance) C4'-P energy: -130.365 bonds (distance) P-C4' energy: -150.525 flat angles C4'-P-C4' energy: -164.807 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -228.584 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: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2334.482373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.482373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.482373 (E_RNA) where: Base-Base interactions energy: -1563.257 where: short stacking energy: -649.117 Base-Backbone interact. energy: -1.760 local terms energy: -769.465690 where: bonds (distance) C4'-P energy: -150.932 bonds (distance) P-C4' energy: -155.944 flat angles C4'-P-C4' energy: -156.734 flat angles P-C4'-P energy: -110.635 tors. eta vs tors. theta energy: -195.221 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: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2309.987712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.987712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.987712 (E_RNA) where: Base-Base interactions energy: -1577.248 where: short stacking energy: -666.964 Base-Backbone interact. energy: 1.169 local terms energy: -733.908808 where: bonds (distance) C4'-P energy: -127.552 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -166.689 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -212.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2223.245104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.245104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.245104 (E_RNA) where: Base-Base interactions energy: -1486.496 where: short stacking energy: -655.000 Base-Backbone interact. energy: -1.421 local terms energy: -735.328164 where: bonds (distance) C4'-P energy: -143.117 bonds (distance) P-C4' energy: -141.086 flat angles C4'-P-C4' energy: -157.774 flat angles P-C4'-P energy: -90.450 tors. eta vs tors. theta energy: -202.900 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: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1954.189875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.189875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.189875 (E_RNA) where: Base-Base interactions energy: -1306.408 where: short stacking energy: -558.162 Base-Backbone interact. energy: -0.902 local terms energy: -646.879151 where: bonds (distance) C4'-P energy: -130.595 bonds (distance) P-C4' energy: -134.468 flat angles C4'-P-C4' energy: -151.133 flat angles P-C4'-P energy: -90.440 tors. eta vs tors. theta energy: -140.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1793.709293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.709293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.709293 (E_RNA) where: Base-Base interactions energy: -1146.835 where: short stacking energy: -521.329 Base-Backbone interact. energy: -2.636 local terms energy: -644.238255 where: bonds (distance) C4'-P energy: -133.098 bonds (distance) P-C4' energy: -141.802 flat angles C4'-P-C4' energy: -140.519 flat angles P-C4'-P energy: -85.432 tors. eta vs tors. theta energy: -143.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1202.293551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.293551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.293551 (E_RNA) where: Base-Base interactions energy: -694.280 where: short stacking energy: -320.285 Base-Backbone interact. energy: -3.346 local terms energy: -504.667882 where: bonds (distance) C4'-P energy: -136.248 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -129.721 flat angles P-C4'-P energy: -66.710 tors. eta vs tors. theta energy: -47.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -682.349216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.349216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.349216 (E_RNA) where: Base-Base interactions energy: -315.503 where: short stacking energy: -187.825 Base-Backbone interact. energy: 8.232 local terms energy: -375.078002 where: bonds (distance) C4'-P energy: -115.466 bonds (distance) P-C4' energy: -133.147 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -62.983 tors. eta vs tors. theta energy: 44.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -558.382126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.382126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.382126 (E_RNA) where: Base-Base interactions energy: -217.286 where: short stacking energy: -166.380 Base-Backbone interact. energy: 3.640 local terms energy: -344.736398 where: bonds (distance) C4'-P energy: -96.605 bonds (distance) P-C4' energy: -145.507 flat angles C4'-P-C4' energy: -112.039 flat angles P-C4'-P energy: -33.572 tors. eta vs tors. theta energy: 42.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2667.842571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.842571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.842571 (E_RNA) where: Base-Base interactions energy: -1843.199 where: short stacking energy: -775.870 Base-Backbone interact. energy: 1.509 local terms energy: -826.152063 where: bonds (distance) C4'-P energy: -156.611 bonds (distance) P-C4' energy: -138.183 flat angles C4'-P-C4' energy: -177.716 flat angles P-C4'-P energy: -119.677 tors. eta vs tors. theta energy: -233.965 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: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2564.386661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.386661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.386661 (E_RNA) where: Base-Base interactions energy: -1761.126 where: short stacking energy: -735.957 Base-Backbone interact. energy: -4.201 local terms energy: -799.059564 where: bonds (distance) C4'-P energy: -140.200 bonds (distance) P-C4' energy: -160.034 flat angles C4'-P-C4' energy: -176.456 flat angles P-C4'-P energy: -101.293 tors. eta vs tors. theta energy: -221.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2330.795485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.795485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.795485 (E_RNA) where: Base-Base interactions energy: -1583.780 where: short stacking energy: -638.402 Base-Backbone interact. energy: -4.814 local terms energy: -742.201499 where: bonds (distance) C4'-P energy: -149.611 bonds (distance) P-C4' energy: -136.008 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -97.791 tors. eta vs tors. theta energy: -201.625 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2267.122175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.122175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.122175 (E_RNA) where: Base-Base interactions energy: -1545.179 where: short stacking energy: -666.270 Base-Backbone interact. energy: -3.967 local terms energy: -717.976207 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -125.686 flat angles C4'-P-C4' energy: -160.831 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -192.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2227.832206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.832206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.832206 (E_RNA) where: Base-Base interactions energy: -1538.608 where: short stacking energy: -679.336 Base-Backbone interact. energy: -0.299 local terms energy: -688.924925 where: bonds (distance) C4'-P energy: -128.239 bonds (distance) P-C4' energy: -123.724 flat angles C4'-P-C4' energy: -144.742 flat angles P-C4'-P energy: -93.396 tors. eta vs tors. theta energy: -198.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1950.897798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.897798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.897798 (E_RNA) where: Base-Base interactions energy: -1289.990 where: short stacking energy: -551.614 Base-Backbone interact. energy: 3.759 local terms energy: -664.667096 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -123.491 flat angles C4'-P-C4' energy: -158.694 flat angles P-C4'-P energy: -93.511 tors. eta vs tors. theta energy: -160.908 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: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1761.654575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.654575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.654575 (E_RNA) where: Base-Base interactions energy: -1143.098 where: short stacking energy: -542.469 Base-Backbone interact. energy: 0.148 local terms energy: -618.704840 where: bonds (distance) C4'-P energy: -131.505 bonds (distance) P-C4' energy: -123.269 flat angles C4'-P-C4' energy: -145.325 flat angles P-C4'-P energy: -73.135 tors. eta vs tors. theta energy: -145.470 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: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1192.527818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.527818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.527818 (E_RNA) where: Base-Base interactions energy: -715.731 where: short stacking energy: -339.546 Base-Backbone interact. energy: -1.335 local terms energy: -475.461558 where: bonds (distance) C4'-P energy: -120.596 bonds (distance) P-C4' energy: -117.359 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -88.487 tors. eta vs tors. theta energy: -43.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -755.974020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.974020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.974020 (E_RNA) where: Base-Base interactions energy: -357.608 where: short stacking energy: -198.215 Base-Backbone interact. energy: 14.123 local terms energy: -412.488910 where: bonds (distance) C4'-P energy: -116.618 bonds (distance) P-C4' energy: -120.628 flat angles C4'-P-C4' energy: -120.388 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: 16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -564.049584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.049584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.049584 (E_RNA) where: Base-Base interactions energy: -218.505 where: short stacking energy: -137.148 Base-Backbone interact. energy: 0.590 local terms energy: -346.134122 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -126.124 flat angles C4'-P-C4' energy: -86.317 flat angles P-C4'-P energy: -81.361 tors. eta vs tors. theta energy: 39.186 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: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2656.187118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.187118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.187118 (E_RNA) where: Base-Base interactions energy: -1823.793 where: short stacking energy: -738.042 Base-Backbone interact. energy: -4.485 local terms energy: -827.910042 where: bonds (distance) C4'-P energy: -164.177 bonds (distance) P-C4' energy: -152.946 flat angles C4'-P-C4' energy: -173.956 flat angles P-C4'-P energy: -106.856 tors. eta vs tors. theta energy: -229.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2566.160303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.160303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.160303 (E_RNA) where: Base-Base interactions energy: -1782.968 where: short stacking energy: -715.001 Base-Backbone interact. energy: -3.298 local terms energy: -779.894938 where: bonds (distance) C4'-P energy: -139.761 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -164.367 flat angles P-C4'-P energy: -111.558 tors. eta vs tors. theta energy: -222.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2329.290811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.290811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.290811 (E_RNA) where: Base-Base interactions energy: -1560.651 where: short stacking energy: -668.755 Base-Backbone interact. energy: -0.823 local terms energy: -767.817164 where: bonds (distance) C4'-P energy: -134.147 bonds (distance) P-C4' energy: -148.654 flat angles C4'-P-C4' energy: -166.410 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -204.576 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: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2257.746310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.746310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.746310 (E_RNA) where: Base-Base interactions energy: -1551.261 where: short stacking energy: -630.374 Base-Backbone interact. energy: -2.355 local terms energy: -704.131050 where: bonds (distance) C4'-P energy: -126.836 bonds (distance) P-C4' energy: -137.956 flat angles C4'-P-C4' energy: -165.594 flat angles P-C4'-P energy: -92.420 tors. eta vs tors. theta energy: -181.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2202.185511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.185511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.185511 (E_RNA) where: Base-Base interactions energy: -1488.188 where: short stacking energy: -626.549 Base-Backbone interact. energy: -1.270 local terms energy: -712.728120 where: bonds (distance) C4'-P energy: -110.995 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -114.555 tors. eta vs tors. theta energy: -187.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1978.094881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.094881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.094881 (E_RNA) where: Base-Base interactions energy: -1323.797 where: short stacking energy: -572.088 Base-Backbone interact. energy: 0.058 local terms energy: -654.355657 where: bonds (distance) C4'-P energy: -111.333 bonds (distance) P-C4' energy: -138.833 flat angles C4'-P-C4' energy: -157.950 flat angles P-C4'-P energy: -95.017 tors. eta vs tors. theta energy: -151.222 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: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1772.606510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.606510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.606510 (E_RNA) where: Base-Base interactions energy: -1149.858 where: short stacking energy: -515.049 Base-Backbone interact. energy: -3.380 local terms energy: -619.368900 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -151.008 flat angles P-C4'-P energy: -91.572 tors. eta vs tors. theta energy: -126.826 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: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1290.838656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.838656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.838656 (E_RNA) where: Base-Base interactions energy: -759.954 where: short stacking energy: -340.661 Base-Backbone interact. energy: -3.239 local terms energy: -527.645221 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -140.589 flat angles C4'-P-C4' energy: -135.241 flat angles P-C4'-P energy: -74.797 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: 9, replica: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -721.786814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.786814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.786814 (E_RNA) where: Base-Base interactions energy: -343.585 where: short stacking energy: -221.414 Base-Backbone interact. energy: -2.580 local terms energy: -375.621686 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -124.341 flat angles C4'-P-C4' energy: -105.827 flat angles P-C4'-P energy: -44.743 tors. eta vs tors. theta energy: 22.026 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: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -594.900593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.900593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.900593 (E_RNA) where: Base-Base interactions energy: -220.899 where: short stacking energy: -155.403 Base-Backbone interact. energy: -2.502 local terms energy: -371.498826 where: bonds (distance) C4'-P energy: -127.101 bonds (distance) P-C4' energy: -132.381 flat angles C4'-P-C4' energy: -108.343 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: 27.544 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: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2636.407309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.407309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.407309 (E_RNA) where: Base-Base interactions energy: -1793.258 where: short stacking energy: -768.038 Base-Backbone interact. energy: -1.361 local terms energy: -841.788585 where: bonds (distance) C4'-P energy: -153.518 bonds (distance) P-C4' energy: -155.165 flat angles C4'-P-C4' energy: -171.932 flat angles P-C4'-P energy: -125.162 tors. eta vs tors. theta energy: -236.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2602.236815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.236815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.236815 (E_RNA) where: Base-Base interactions energy: -1790.513 where: short stacking energy: -727.724 Base-Backbone interact. energy: -4.328 local terms energy: -807.394935 where: bonds (distance) C4'-P energy: -149.616 bonds (distance) P-C4' energy: -152.832 flat angles C4'-P-C4' energy: -159.474 flat angles P-C4'-P energy: -111.612 tors. eta vs tors. theta energy: -233.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2315.568230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.568230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.568230 (E_RNA) where: Base-Base interactions energy: -1566.793 where: short stacking energy: -660.823 Base-Backbone interact. energy: -2.681 local terms energy: -746.094514 where: bonds (distance) C4'-P energy: -138.829 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -168.678 flat angles P-C4'-P energy: -89.607 tors. eta vs tors. theta energy: -203.014 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: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2307.452522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.452522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.452522 (E_RNA) where: Base-Base interactions energy: -1566.837 where: short stacking energy: -641.622 Base-Backbone interact. energy: -1.744 local terms energy: -738.871570 where: bonds (distance) C4'-P energy: -136.212 bonds (distance) P-C4' energy: -140.113 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -107.183 tors. eta vs tors. theta energy: -193.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2191.670288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.670288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.670288 (E_RNA) where: Base-Base interactions energy: -1507.348 where: short stacking energy: -612.147 Base-Backbone interact. energy: -2.208 local terms energy: -682.113921 where: bonds (distance) C4'-P energy: -127.104 bonds (distance) P-C4' energy: -130.592 flat angles C4'-P-C4' energy: -147.301 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -172.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1981.292311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.292311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.292311 (E_RNA) where: Base-Base interactions energy: -1310.694 where: short stacking energy: -564.730 Base-Backbone interact. energy: -4.023 local terms energy: -666.575687 where: bonds (distance) C4'-P energy: -136.782 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -144.526 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -161.271 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: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1626.722015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.722015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.722015 (E_RNA) where: Base-Base interactions energy: -1034.409 where: short stacking energy: -446.863 Base-Backbone interact. energy: -2.042 local terms energy: -590.271257 where: bonds (distance) C4'-P energy: -129.474 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -132.326 flat angles P-C4'-P energy: -81.379 tors. eta vs tors. theta energy: -117.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1338.898167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.898167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.898167 (E_RNA) where: Base-Base interactions energy: -817.388 where: short stacking energy: -401.253 Base-Backbone interact. energy: 0.783 local terms energy: -522.293135 where: bonds (distance) C4'-P energy: -123.862 bonds (distance) P-C4' energy: -119.907 flat angles C4'-P-C4' energy: -134.178 flat angles P-C4'-P energy: -80.556 tors. eta vs tors. theta energy: -63.790 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: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -694.080279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.080279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.080279 (E_RNA) where: Base-Base interactions energy: -277.180 where: short stacking energy: -178.457 Base-Backbone interact. energy: -1.155 local terms energy: -415.745519 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -132.682 flat angles C4'-P-C4' energy: -98.808 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: 10.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -592.311307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.311307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.311307 (E_RNA) where: Base-Base interactions energy: -210.382 where: short stacking energy: -150.080 Base-Backbone interact. energy: 0.851 local terms energy: -382.780358 where: bonds (distance) C4'-P energy: -118.308 bonds (distance) P-C4' energy: -122.063 flat angles C4'-P-C4' energy: -115.917 flat angles P-C4'-P energy: -45.201 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: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2672.336226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.336226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.336226 (E_RNA) where: Base-Base interactions energy: -1833.419 where: short stacking energy: -773.173 Base-Backbone interact. energy: -3.143 local terms energy: -835.774530 where: bonds (distance) C4'-P energy: -147.970 bonds (distance) P-C4' energy: -159.865 flat angles C4'-P-C4' energy: -172.786 flat angles P-C4'-P energy: -119.247 tors. eta vs tors. theta energy: -235.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2583.584815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.584815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.584815 (E_RNA) where: Base-Base interactions energy: -1771.949 where: short stacking energy: -712.332 Base-Backbone interact. energy: -4.106 local terms energy: -807.529325 where: bonds (distance) C4'-P energy: -141.476 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -168.213 flat angles P-C4'-P energy: -123.667 tors. eta vs tors. theta energy: -221.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2338.926376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.926376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.926376 (E_RNA) where: Base-Base interactions energy: -1555.438 where: short stacking energy: -667.999 Base-Backbone interact. energy: 2.137 local terms energy: -785.625199 where: bonds (distance) C4'-P energy: -157.054 bonds (distance) P-C4' energy: -149.323 flat angles C4'-P-C4' energy: -158.137 flat angles P-C4'-P energy: -117.412 tors. eta vs tors. theta energy: -203.699 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: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2256.031193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.031193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.031193 (E_RNA) where: Base-Base interactions energy: -1506.978 where: short stacking energy: -646.806 Base-Backbone interact. energy: -1.363 local terms energy: -747.690448 where: bonds (distance) C4'-P energy: -141.975 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -163.797 flat angles P-C4'-P energy: -107.975 tors. eta vs tors. theta energy: -187.096 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: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2217.788710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.788710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.788710 (E_RNA) where: Base-Base interactions energy: -1526.550 where: short stacking energy: -621.803 Base-Backbone interact. energy: -3.983 local terms energy: -687.256027 where: bonds (distance) C4'-P energy: -142.263 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -176.032 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: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2008.672015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.672015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.672015 (E_RNA) where: Base-Base interactions energy: -1358.192 where: short stacking energy: -580.566 Base-Backbone interact. energy: -0.080 local terms energy: -650.400345 where: bonds (distance) C4'-P energy: -135.942 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -142.524 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -162.083 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: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1665.629971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.629971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.629971 (E_RNA) where: Base-Base interactions energy: -1094.184 where: short stacking energy: -470.138 Base-Backbone interact. energy: 0.837 local terms energy: -572.282951 where: bonds (distance) C4'-P energy: -117.669 bonds (distance) P-C4' energy: -125.807 flat angles C4'-P-C4' energy: -124.315 flat angles P-C4'-P energy: -95.080 tors. eta vs tors. theta energy: -109.412 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: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1313.776582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.776582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.776582 (E_RNA) where: Base-Base interactions energy: -800.489 where: short stacking energy: -368.458 Base-Backbone interact. energy: -0.829 local terms energy: -512.458702 where: bonds (distance) C4'-P energy: -116.832 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -79.869 tors. eta vs tors. theta energy: -63.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -648.434166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.434166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.434166 (E_RNA) where: Base-Base interactions energy: -254.393 where: short stacking energy: -165.537 Base-Backbone interact. energy: 2.574 local terms energy: -396.615570 where: bonds (distance) C4'-P energy: -120.457 bonds (distance) P-C4' energy: -131.105 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -77.047 tors. eta vs tors. theta energy: 28.438 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: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -560.487586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.487586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.487586 (E_RNA) where: Base-Base interactions energy: -211.878 where: short stacking energy: -154.932 Base-Backbone interact. energy: -0.816 local terms energy: -347.793802 where: bonds (distance) C4'-P energy: -98.580 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -102.645 flat angles P-C4'-P energy: -58.958 tors. eta vs tors. theta energy: 15.867 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: 365 Temperature: 0.900000 Total energy: -2637.424925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.424925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.424925 (E_RNA) where: Base-Base interactions energy: -1823.724 where: short stacking energy: -749.098 Base-Backbone interact. energy: -4.454 local terms energy: -809.247293 where: bonds (distance) C4'-P energy: -144.145 bonds (distance) P-C4' energy: -138.965 flat angles C4'-P-C4' energy: -180.137 flat angles P-C4'-P energy: -112.645 tors. eta vs tors. theta energy: -233.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2587.304382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.304382 (E_RNA) where: Base-Base interactions energy: -1774.001 where: short stacking energy: -737.850 Base-Backbone interact. energy: -3.376 local terms energy: -809.927507 where: bonds (distance) C4'-P energy: -139.685 bonds (distance) P-C4' energy: -158.846 flat angles C4'-P-C4' energy: -175.528 flat angles P-C4'-P energy: -115.527 tors. eta vs tors. theta energy: -220.341 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: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2333.525175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.525175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.525175 (E_RNA) where: Base-Base interactions energy: -1568.782 where: short stacking energy: -686.785 Base-Backbone interact. energy: -4.928 local terms energy: -759.815456 where: bonds (distance) C4'-P energy: -133.414 bonds (distance) P-C4' energy: -138.626 flat angles C4'-P-C4' energy: -167.973 flat angles P-C4'-P energy: -107.795 tors. eta vs tors. theta energy: -212.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2248.135248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.135248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.135248 (E_RNA) where: Base-Base interactions energy: -1523.233 where: short stacking energy: -630.826 Base-Backbone interact. energy: -3.777 local terms energy: -721.125793 where: bonds (distance) C4'-P energy: -141.486 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -147.509 flat angles P-C4'-P energy: -100.598 tors. eta vs tors. theta energy: -188.193 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: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2200.268677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.268677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.268677 (E_RNA) where: Base-Base interactions energy: -1472.075 where: short stacking energy: -625.009 Base-Backbone interact. energy: -0.607 local terms energy: -727.586936 where: bonds (distance) C4'-P energy: -130.902 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -157.186 flat angles P-C4'-P energy: -94.175 tors. eta vs tors. theta energy: -195.948 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: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2030.620254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.620254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.620254 (E_RNA) where: Base-Base interactions energy: -1359.599 where: short stacking energy: -590.695 Base-Backbone interact. energy: -1.819 local terms energy: -669.202767 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -144.151 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -167.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1651.195370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.195370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.195370 (E_RNA) where: Base-Base interactions energy: -1084.248 where: short stacking energy: -475.567 Base-Backbone interact. energy: 0.395 local terms energy: -567.342092 where: bonds (distance) C4'-P energy: -107.215 bonds (distance) P-C4' energy: -129.071 flat angles C4'-P-C4' energy: -136.128 flat angles P-C4'-P energy: -86.134 tors. eta vs tors. theta energy: -108.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1340.743308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.743308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.743308 (E_RNA) where: Base-Base interactions energy: -822.260 where: short stacking energy: -391.473 Base-Backbone interact. energy: 3.603 local terms energy: -522.086244 where: bonds (distance) C4'-P energy: -117.842 bonds (distance) P-C4' energy: -131.976 flat angles C4'-P-C4' energy: -129.889 flat angles P-C4'-P energy: -73.705 tors. eta vs tors. theta energy: -68.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -659.955217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.955217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.955217 (E_RNA) where: Base-Base interactions energy: -268.486 where: short stacking energy: -182.558 Base-Backbone interact. energy: -0.352 local terms energy: -391.116706 where: bonds (distance) C4'-P energy: -123.452 bonds (distance) P-C4' energy: -117.238 flat angles C4'-P-C4' energy: -101.475 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: 6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -578.875818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.875818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.875818 (E_RNA) where: Base-Base interactions energy: -178.105 where: short stacking energy: -138.550 Base-Backbone interact. energy: 1.577 local terms energy: -402.347252 where: bonds (distance) C4'-P energy: -113.808 bonds (distance) P-C4' energy: -122.181 flat angles C4'-P-C4' energy: -107.876 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: 28.867 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: 366 Temperature: 0.900000 Total energy: -2646.989023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.989023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.989023 (E_RNA) where: Base-Base interactions energy: -1795.550 where: short stacking energy: -769.087 Base-Backbone interact. energy: -0.612 local terms energy: -850.826891 where: bonds (distance) C4'-P energy: -164.070 bonds (distance) P-C4' energy: -155.823 flat angles C4'-P-C4' energy: -177.503 flat angles P-C4'-P energy: -115.991 tors. eta vs tors. theta energy: -237.439 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: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2557.457413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.457413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.457413 (E_RNA) where: Base-Base interactions energy: -1747.625 where: short stacking energy: -736.367 Base-Backbone interact. energy: -5.684 local terms energy: -804.148886 where: bonds (distance) C4'-P energy: -140.384 bonds (distance) P-C4' energy: -151.723 flat angles C4'-P-C4' energy: -165.943 flat angles P-C4'-P energy: -114.241 tors. eta vs tors. theta energy: -231.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2351.277162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.277162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.277162 (E_RNA) where: Base-Base interactions energy: -1583.391 where: short stacking energy: -689.001 Base-Backbone interact. energy: -2.106 local terms energy: -765.779931 where: bonds (distance) C4'-P energy: -130.964 bonds (distance) P-C4' energy: -160.498 flat angles C4'-P-C4' energy: -156.502 flat angles P-C4'-P energy: -112.905 tors. eta vs tors. theta energy: -204.910 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: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2289.426533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.426533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.426533 (E_RNA) where: Base-Base interactions energy: -1565.346 where: short stacking energy: -647.289 Base-Backbone interact. energy: 1.314 local terms energy: -725.394206 where: bonds (distance) C4'-P energy: -142.113 bonds (distance) P-C4' energy: -130.518 flat angles C4'-P-C4' energy: -161.285 flat angles P-C4'-P energy: -105.507 tors. eta vs tors. theta energy: -185.971 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: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2210.934538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.934538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.934538 (E_RNA) where: Base-Base interactions energy: -1519.592 where: short stacking energy: -617.802 Base-Backbone interact. energy: -2.183 local terms energy: -689.159808 where: bonds (distance) C4'-P energy: -146.457 bonds (distance) P-C4' energy: -138.091 flat angles C4'-P-C4' energy: -151.497 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -171.643 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: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1997.016603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.016603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.016603 (E_RNA) where: Base-Base interactions energy: -1333.039 where: short stacking energy: -599.815 Base-Backbone interact. energy: 1.396 local terms energy: -665.373606 where: bonds (distance) C4'-P energy: -138.914 bonds (distance) P-C4' energy: -112.294 flat angles C4'-P-C4' energy: -156.893 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -171.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1748.265024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.265024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.265024 (E_RNA) where: Base-Base interactions energy: -1176.087 where: short stacking energy: -511.271 Base-Backbone interact. energy: -1.384 local terms energy: -570.794484 where: bonds (distance) C4'-P energy: -105.434 bonds (distance) P-C4' energy: -121.984 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -80.491 tors. eta vs tors. theta energy: -128.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1336.875911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.875911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.875911 (E_RNA) where: Base-Base interactions energy: -835.398 where: short stacking energy: -365.053 Base-Backbone interact. energy: -4.414 local terms energy: -497.063527 where: bonds (distance) C4'-P energy: -111.959 bonds (distance) P-C4' energy: -143.281 flat angles C4'-P-C4' energy: -108.072 flat angles P-C4'-P energy: -72.745 tors. eta vs tors. theta energy: -61.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -643.940702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.940702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.940702 (E_RNA) where: Base-Base interactions energy: -296.283 where: short stacking energy: -180.345 Base-Backbone interact. energy: -0.344 local terms energy: -347.313256 where: bonds (distance) C4'-P energy: -128.468 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -42.638 tors. eta vs tors. theta energy: 30.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -568.567948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.567948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.567948 (E_RNA) where: Base-Base interactions energy: -186.612 where: short stacking energy: -162.408 Base-Backbone interact. energy: 2.828 local terms energy: -384.784000 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -111.292 flat angles C4'-P-C4' energy: -108.271 flat angles P-C4'-P energy: -76.124 tors. eta vs tors. theta energy: 27.516 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: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2615.476404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.476404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.476404 (E_RNA) where: Base-Base interactions energy: -1802.680 where: short stacking energy: -756.508 Base-Backbone interact. energy: -0.975 local terms energy: -811.821989 where: bonds (distance) C4'-P energy: -155.717 bonds (distance) P-C4' energy: -152.994 flat angles C4'-P-C4' energy: -168.396 flat angles P-C4'-P energy: -99.872 tors. eta vs tors. theta energy: -234.843 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: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2544.350076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.350076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.350076 (E_RNA) where: Base-Base interactions energy: -1743.367 where: short stacking energy: -723.479 Base-Backbone interact. energy: -0.396 local terms energy: -800.587086 where: bonds (distance) C4'-P energy: -145.948 bonds (distance) P-C4' energy: -157.757 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -111.322 tors. eta vs tors. theta energy: -222.892 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2313.376345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.376345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.376345 (E_RNA) where: Base-Base interactions energy: -1561.467 where: short stacking energy: -675.916 Base-Backbone interact. energy: -0.901 local terms energy: -751.009295 where: bonds (distance) C4'-P energy: -142.550 bonds (distance) P-C4' energy: -135.399 flat angles C4'-P-C4' energy: -164.222 flat angles P-C4'-P energy: -115.390 tors. eta vs tors. theta energy: -193.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2280.179430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.179430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.179430 (E_RNA) where: Base-Base interactions energy: -1585.696 where: short stacking energy: -648.796 Base-Backbone interact. energy: -1.703 local terms energy: -692.780402 where: bonds (distance) C4'-P energy: -141.275 bonds (distance) P-C4' energy: -134.216 flat angles C4'-P-C4' energy: -142.360 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -176.137 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: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2180.013582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.013582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.013582 (E_RNA) where: Base-Base interactions energy: -1505.049 where: short stacking energy: -619.936 Base-Backbone interact. energy: 1.404 local terms energy: -676.369438 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -142.624 flat angles P-C4'-P energy: -105.757 tors. eta vs tors. theta energy: -169.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2013.909476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.909476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.909476 (E_RNA) where: Base-Base interactions energy: -1364.103 where: short stacking energy: -605.335 Base-Backbone interact. energy: 0.440 local terms energy: -650.246619 where: bonds (distance) C4'-P energy: -134.357 bonds (distance) P-C4' energy: -117.365 flat angles C4'-P-C4' energy: -159.541 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -161.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1638.103331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.103331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.103331 (E_RNA) where: Base-Base interactions energy: -1051.657 where: short stacking energy: -458.308 Base-Backbone interact. energy: -3.118 local terms energy: -583.328160 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -134.685 flat angles C4'-P-C4' energy: -135.031 flat angles P-C4'-P energy: -94.009 tors. eta vs tors. theta energy: -107.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1367.818714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.818714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.818714 (E_RNA) where: Base-Base interactions energy: -846.507 where: short stacking energy: -379.649 Base-Backbone interact. energy: -1.995 local terms energy: -519.317041 where: bonds (distance) C4'-P energy: -109.203 bonds (distance) P-C4' energy: -144.384 flat angles C4'-P-C4' energy: -130.102 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -58.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -647.148831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.148831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.148831 (E_RNA) where: Base-Base interactions energy: -246.031 where: short stacking energy: -152.256 Base-Backbone interact. energy: 0.492 local terms energy: -401.610358 where: bonds (distance) C4'-P energy: -124.171 bonds (distance) P-C4' energy: -135.272 flat angles C4'-P-C4' energy: -107.631 flat angles P-C4'-P energy: -61.697 tors. eta vs tors. theta energy: 27.161 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -566.004924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.004924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.004924 (E_RNA) where: Base-Base interactions energy: -203.273 where: short stacking energy: -148.693 Base-Backbone interact. energy: -0.556 local terms energy: -362.176876 where: bonds (distance) C4'-P energy: -121.520 bonds (distance) P-C4' energy: -108.941 flat angles C4'-P-C4' energy: -97.990 flat angles P-C4'-P energy: -68.800 tors. eta vs tors. theta energy: 35.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2637.232632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.232632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.232632 (E_RNA) where: Base-Base interactions energy: -1806.462 where: short stacking energy: -760.396 Base-Backbone interact. energy: -1.740 local terms energy: -829.030552 where: bonds (distance) C4'-P energy: -149.556 bonds (distance) P-C4' energy: -154.757 flat angles C4'-P-C4' energy: -180.378 flat angles P-C4'-P energy: -114.972 tors. eta vs tors. theta energy: -229.367 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2531.008276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.008276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.008276 (E_RNA) where: Base-Base interactions energy: -1747.532 where: short stacking energy: -717.788 Base-Backbone interact. energy: -3.896 local terms energy: -779.580322 where: bonds (distance) C4'-P energy: -133.763 bonds (distance) P-C4' energy: -151.378 flat angles C4'-P-C4' energy: -164.111 flat angles P-C4'-P energy: -119.489 tors. eta vs tors. theta energy: -210.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2367.105393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.105393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.105393 (E_RNA) where: Base-Base interactions energy: -1571.472 where: short stacking energy: -687.078 Base-Backbone interact. energy: -4.787 local terms energy: -790.846739 where: bonds (distance) C4'-P energy: -147.262 bonds (distance) P-C4' energy: -147.041 flat angles C4'-P-C4' energy: -168.810 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -211.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2296.579376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.579376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.579376 (E_RNA) where: Base-Base interactions energy: -1578.915 where: short stacking energy: -640.084 Base-Backbone interact. energy: 4.703 local terms energy: -722.367105 where: bonds (distance) C4'-P energy: -132.014 bonds (distance) P-C4' energy: -152.479 flat angles C4'-P-C4' energy: -154.625 flat angles P-C4'-P energy: -99.304 tors. eta vs tors. theta energy: -183.946 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: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2181.964970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.964970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.964970 (E_RNA) where: Base-Base interactions energy: -1464.193 where: short stacking energy: -608.978 Base-Backbone interact. energy: -1.463 local terms energy: -716.308521 where: bonds (distance) C4'-P energy: -137.173 bonds (distance) P-C4' energy: -145.920 flat angles C4'-P-C4' energy: -161.755 flat angles P-C4'-P energy: -89.382 tors. eta vs tors. theta energy: -182.079 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: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1967.088020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.088020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.088020 (E_RNA) where: Base-Base interactions energy: -1320.480 where: short stacking energy: -562.489 Base-Backbone interact. energy: 3.178 local terms energy: -649.785581 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -126.618 flat angles C4'-P-C4' energy: -131.209 flat angles P-C4'-P energy: -101.689 tors. eta vs tors. theta energy: -162.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1581.832320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.832320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.832320 (E_RNA) where: Base-Base interactions energy: -1015.816 where: short stacking energy: -440.655 Base-Backbone interact. energy: -0.295 local terms energy: -565.721669 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -133.839 flat angles C4'-P-C4' energy: -129.219 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -115.412 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: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1307.068520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.068520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.068520 (E_RNA) where: Base-Base interactions energy: -779.526 where: short stacking energy: -357.999 Base-Backbone interact. energy: 2.099 local terms energy: -529.642247 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -114.919 flat angles C4'-P-C4' energy: -142.580 flat angles P-C4'-P energy: -89.123 tors. eta vs tors. theta energy: -62.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -686.956720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.956720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.956720 (E_RNA) where: Base-Base interactions energy: -276.301 where: short stacking energy: -190.008 Base-Backbone interact. energy: 0.264 local terms energy: -410.918879 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -129.806 flat angles C4'-P-C4' energy: -133.118 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: 15.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -548.461930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.461930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.461930 (E_RNA) where: Base-Base interactions energy: -177.096 where: short stacking energy: -161.480 Base-Backbone interact. energy: 4.527 local terms energy: -375.892437 where: bonds (distance) C4'-P energy: -101.328 bonds (distance) P-C4' energy: -133.370 flat angles C4'-P-C4' energy: -108.328 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: 27.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2622.990332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.990332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.990332 (E_RNA) where: Base-Base interactions energy: -1799.389 where: short stacking energy: -770.862 Base-Backbone interact. energy: -0.398 local terms energy: -823.204246 where: bonds (distance) C4'-P energy: -145.219 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -173.168 flat angles P-C4'-P energy: -114.492 tors. eta vs tors. theta energy: -237.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2557.444018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.444018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.444018 (E_RNA) where: Base-Base interactions energy: -1754.109 where: short stacking energy: -751.657 Base-Backbone interact. energy: -0.704 local terms energy: -802.630712 where: bonds (distance) C4'-P energy: -132.835 bonds (distance) P-C4' energy: -140.554 flat angles C4'-P-C4' energy: -185.404 flat angles P-C4'-P energy: -114.256 tors. eta vs tors. theta energy: -229.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2367.836762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.836762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.836762 (E_RNA) where: Base-Base interactions energy: -1576.205 where: short stacking energy: -707.446 Base-Backbone interact. energy: 1.845 local terms energy: -793.476412 where: bonds (distance) C4'-P energy: -143.431 bonds (distance) P-C4' energy: -153.302 flat angles C4'-P-C4' energy: -177.026 flat angles P-C4'-P energy: -110.792 tors. eta vs tors. theta energy: -208.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2291.275679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.275679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.275679 (E_RNA) where: Base-Base interactions energy: -1535.312 where: short stacking energy: -657.148 Base-Backbone interact. energy: -1.620 local terms energy: -754.343764 where: bonds (distance) C4'-P energy: -149.325 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -159.134 flat angles P-C4'-P energy: -103.139 tors. eta vs tors. theta energy: -211.050 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2200.131064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.131064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.131064 (E_RNA) where: Base-Base interactions energy: -1487.604 where: short stacking energy: -589.639 Base-Backbone interact. energy: -4.492 local terms energy: -708.034511 where: bonds (distance) C4'-P energy: -141.227 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -151.415 flat angles P-C4'-P energy: -96.535 tors. eta vs tors. theta energy: -176.938 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: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2017.651826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.651826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.651826 (E_RNA) where: Base-Base interactions energy: -1337.118 where: short stacking energy: -582.565 Base-Backbone interact. energy: -0.831 local terms energy: -679.702988 where: bonds (distance) C4'-P energy: -129.671 bonds (distance) P-C4' energy: -155.800 flat angles C4'-P-C4' energy: -153.155 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -165.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1548.424763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.424763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.424763 (E_RNA) where: Base-Base interactions energy: -984.023 where: short stacking energy: -446.002 Base-Backbone interact. energy: -3.109 local terms energy: -561.292426 where: bonds (distance) C4'-P energy: -125.855 bonds (distance) P-C4' energy: -138.897 flat angles C4'-P-C4' energy: -134.891 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -94.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1282.586923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.586923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.586923 (E_RNA) where: Base-Base interactions energy: -775.436 where: short stacking energy: -342.372 Base-Backbone interact. energy: -0.761 local terms energy: -506.389443 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -141.107 flat angles C4'-P-C4' energy: -123.875 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -50.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -709.292994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.292994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.292994 (E_RNA) where: Base-Base interactions energy: -313.560 where: short stacking energy: -199.845 Base-Backbone interact. energy: -0.759 local terms energy: -394.974177 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -112.001 flat angles C4'-P-C4' energy: -111.220 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: 4.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -579.400963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.400963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.400963 (E_RNA) where: Base-Base interactions energy: -190.623 where: short stacking energy: -151.312 Base-Backbone interact. energy: 2.770 local terms energy: -391.547684 where: bonds (distance) C4'-P energy: -116.047 bonds (distance) P-C4' energy: -128.665 flat angles C4'-P-C4' energy: -112.696 flat angles P-C4'-P energy: -68.294 tors. eta vs tors. theta energy: 34.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2642.834380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.834380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.834380 (E_RNA) where: Base-Base interactions energy: -1818.038 where: short stacking energy: -767.861 Base-Backbone interact. energy: -4.818 local terms energy: -819.978083 where: bonds (distance) C4'-P energy: -154.745 bonds (distance) P-C4' energy: -154.121 flat angles C4'-P-C4' energy: -172.986 flat angles P-C4'-P energy: -106.966 tors. eta vs tors. theta energy: -231.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2572.292482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.292482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.292482 (E_RNA) where: Base-Base interactions energy: -1760.799 where: short stacking energy: -728.646 Base-Backbone interact. energy: -5.644 local terms energy: -805.849714 where: bonds (distance) C4'-P energy: -155.909 bonds (distance) P-C4' energy: -158.568 flat angles C4'-P-C4' energy: -169.124 flat angles P-C4'-P energy: -99.129 tors. eta vs tors. theta energy: -223.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2364.471168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.471168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.471168 (E_RNA) where: Base-Base interactions energy: -1609.750 where: short stacking energy: -717.568 Base-Backbone interact. energy: -0.116 local terms energy: -754.605013 where: bonds (distance) C4'-P energy: -137.242 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -167.932 flat angles P-C4'-P energy: -93.035 tors. eta vs tors. theta energy: -209.251 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2267.119933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.119933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.119933 (E_RNA) where: Base-Base interactions energy: -1524.773 where: short stacking energy: -649.184 Base-Backbone interact. energy: -0.596 local terms energy: -741.750556 where: bonds (distance) C4'-P energy: -132.669 bonds (distance) P-C4' energy: -153.207 flat angles C4'-P-C4' energy: -149.535 flat angles P-C4'-P energy: -113.699 tors. eta vs tors. theta energy: -192.641 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: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2225.563268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.563268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.563268 (E_RNA) where: Base-Base interactions energy: -1536.155 where: short stacking energy: -626.117 Base-Backbone interact. energy: -2.504 local terms energy: -686.904076 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -147.073 flat angles C4'-P-C4' energy: -144.109 flat angles P-C4'-P energy: -89.892 tors. eta vs tors. theta energy: -183.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2008.174588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.174588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.174588 (E_RNA) where: Base-Base interactions energy: -1367.242 where: short stacking energy: -572.670 Base-Backbone interact. energy: 3.114 local terms energy: -644.046513 where: bonds (distance) C4'-P energy: -139.233 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -161.007 flat angles P-C4'-P energy: -81.393 tors. eta vs tors. theta energy: -147.590 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: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1554.020322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.020322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.020322 (E_RNA) where: Base-Base interactions energy: -990.671 where: short stacking energy: -430.767 Base-Backbone interact. energy: -1.820 local terms energy: -561.529212 where: bonds (distance) C4'-P energy: -113.987 bonds (distance) P-C4' energy: -128.426 flat angles C4'-P-C4' energy: -144.094 flat angles P-C4'-P energy: -83.301 tors. eta vs tors. theta energy: -91.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1195.305189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.305189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.305189 (E_RNA) where: Base-Base interactions energy: -704.457 where: short stacking energy: -318.802 Base-Backbone interact. energy: -2.123 local terms energy: -488.724872 where: bonds (distance) C4'-P energy: -130.074 bonds (distance) P-C4' energy: -121.036 flat angles C4'-P-C4' energy: -123.804 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -49.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -655.357753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.357753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.357753 (E_RNA) where: Base-Base interactions energy: -247.285 where: short stacking energy: -166.304 Base-Backbone interact. energy: 2.834 local terms energy: -410.907080 where: bonds (distance) C4'-P energy: -131.232 bonds (distance) P-C4' energy: -123.371 flat angles C4'-P-C4' energy: -103.737 flat angles P-C4'-P energy: -71.825 tors. eta vs tors. theta energy: 19.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -553.689694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.689694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.689694 (E_RNA) where: Base-Base interactions energy: -162.587 where: short stacking energy: -128.816 Base-Backbone interact. energy: 4.579 local terms energy: -395.681792 where: bonds (distance) C4'-P energy: -117.762 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -99.214 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: 17.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2686.938635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.938635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.938635 (E_RNA) where: Base-Base interactions energy: -1888.696 where: short stacking energy: -809.206 Base-Backbone interact. energy: -0.696 local terms energy: -797.546454 where: bonds (distance) C4'-P energy: -144.114 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -171.174 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -237.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2601.492127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.492127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.492127 (E_RNA) where: Base-Base interactions energy: -1793.111 where: short stacking energy: -756.451 Base-Backbone interact. energy: -4.834 local terms energy: -803.546884 where: bonds (distance) C4'-P energy: -153.157 bonds (distance) P-C4' energy: -136.661 flat angles C4'-P-C4' energy: -163.609 flat angles P-C4'-P energy: -118.166 tors. eta vs tors. theta energy: -231.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2333.765829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.765829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.765829 (E_RNA) where: Base-Base interactions energy: -1577.149 where: short stacking energy: -642.047 Base-Backbone interact. energy: 1.842 local terms energy: -758.459242 where: bonds (distance) C4'-P energy: -133.751 bonds (distance) P-C4' energy: -146.176 flat angles C4'-P-C4' energy: -175.032 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -198.321 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: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2289.356902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.356902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.356902 (E_RNA) where: Base-Base interactions energy: -1545.695 where: short stacking energy: -658.000 Base-Backbone interact. energy: 0.023 local terms energy: -743.685128 where: bonds (distance) C4'-P energy: -141.159 bonds (distance) P-C4' energy: -139.780 flat angles C4'-P-C4' energy: -167.735 flat angles P-C4'-P energy: -95.549 tors. eta vs tors. theta energy: -199.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2151.469337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.469337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.469337 (E_RNA) where: Base-Base interactions energy: -1467.485 where: short stacking energy: -610.908 Base-Backbone interact. energy: -4.924 local terms energy: -679.060335 where: bonds (distance) C4'-P energy: -125.914 bonds (distance) P-C4' energy: -137.987 flat angles C4'-P-C4' energy: -146.372 flat angles P-C4'-P energy: -87.884 tors. eta vs tors. theta energy: -180.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1983.390484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.390484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.390484 (E_RNA) where: Base-Base interactions energy: -1336.217 where: short stacking energy: -547.948 Base-Backbone interact. energy: -2.583 local terms energy: -644.590108 where: bonds (distance) C4'-P energy: -129.965 bonds (distance) P-C4' energy: -129.263 flat angles C4'-P-C4' energy: -142.539 flat angles P-C4'-P energy: -89.428 tors. eta vs tors. theta energy: -153.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1559.450092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.450092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.450092 (E_RNA) where: Base-Base interactions energy: -964.535 where: short stacking energy: -425.634 Base-Backbone interact. energy: -0.810 local terms energy: -594.105630 where: bonds (distance) C4'-P energy: -130.291 bonds (distance) P-C4' energy: -126.687 flat angles C4'-P-C4' energy: -124.659 flat angles P-C4'-P energy: -100.223 tors. eta vs tors. theta energy: -112.245 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: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1176.957374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.957374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.957374 (E_RNA) where: Base-Base interactions energy: -711.672 where: short stacking energy: -354.351 Base-Backbone interact. energy: 2.173 local terms energy: -467.457910 where: bonds (distance) C4'-P energy: -108.269 bonds (distance) P-C4' energy: -115.908 flat angles C4'-P-C4' energy: -127.019 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -50.069 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -687.791252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.791252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.791252 (E_RNA) where: Base-Base interactions energy: -291.683 where: short stacking energy: -212.124 Base-Backbone interact. energy: 0.880 local terms energy: -396.987932 where: bonds (distance) C4'-P energy: -123.134 bonds (distance) P-C4' energy: -131.078 flat angles C4'-P-C4' energy: -105.248 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: 11.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -552.719472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.719472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.719472 (E_RNA) where: Base-Base interactions energy: -171.620 where: short stacking energy: -135.941 Base-Backbone interact. energy: 4.304 local terms energy: -385.403706 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -146.171 flat angles C4'-P-C4' energy: -117.713 flat angles P-C4'-P energy: -37.322 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: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2677.541906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.541906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.541906 (E_RNA) where: Base-Base interactions energy: -1837.741 where: short stacking energy: -788.363 Base-Backbone interact. energy: -2.380 local terms energy: -837.421079 where: bonds (distance) C4'-P energy: -154.247 bonds (distance) P-C4' energy: -144.721 flat angles C4'-P-C4' energy: -168.897 flat angles P-C4'-P energy: -128.594 tors. eta vs tors. theta energy: -240.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2620.892446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.892446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.892446 (E_RNA) where: Base-Base interactions energy: -1834.256 where: short stacking energy: -752.553 Base-Backbone interact. energy: -1.072 local terms energy: -785.564967 where: bonds (distance) C4'-P energy: -139.113 bonds (distance) P-C4' energy: -148.636 flat angles C4'-P-C4' energy: -166.135 flat angles P-C4'-P energy: -104.948 tors. eta vs tors. theta energy: -226.733 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: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2382.315506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.315506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.315506 (E_RNA) where: Base-Base interactions energy: -1622.888 where: short stacking energy: -702.434 Base-Backbone interact. energy: -2.303 local terms energy: -757.125190 where: bonds (distance) C4'-P energy: -134.696 bonds (distance) P-C4' energy: -147.871 flat angles C4'-P-C4' energy: -165.021 flat angles P-C4'-P energy: -114.055 tors. eta vs tors. theta energy: -195.483 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: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2312.524038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.524038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.524038 (E_RNA) where: Base-Base interactions energy: -1592.516 where: short stacking energy: -657.625 Base-Backbone interact. energy: -0.521 local terms energy: -719.486970 where: bonds (distance) C4'-P energy: -132.902 bonds (distance) P-C4' energy: -150.056 flat angles C4'-P-C4' energy: -151.031 flat angles P-C4'-P energy: -100.405 tors. eta vs tors. theta energy: -185.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2164.138495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.138495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.138495 (E_RNA) where: Base-Base interactions energy: -1453.170 where: short stacking energy: -602.765 Base-Backbone interact. energy: -0.766 local terms energy: -710.202590 where: bonds (distance) C4'-P energy: -127.201 bonds (distance) P-C4' energy: -144.012 flat angles C4'-P-C4' energy: -154.249 flat angles P-C4'-P energy: -98.496 tors. eta vs tors. theta energy: -186.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1961.394062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.394062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.394062 (E_RNA) where: Base-Base interactions energy: -1297.566 where: short stacking energy: -552.446 Base-Backbone interact. energy: -3.303 local terms energy: -660.524324 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -145.739 flat angles C4'-P-C4' energy: -144.386 flat angles P-C4'-P energy: -108.873 tors. eta vs tors. theta energy: -137.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1552.599658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.599658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.599658 (E_RNA) where: Base-Base interactions energy: -990.704 where: short stacking energy: -426.131 Base-Backbone interact. energy: 1.474 local terms energy: -563.370026 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -115.373 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -96.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1183.278006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.278006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.278006 (E_RNA) where: Base-Base interactions energy: -667.192 where: short stacking energy: -330.800 Base-Backbone interact. energy: 1.884 local terms energy: -517.970353 where: bonds (distance) C4'-P energy: -120.066 bonds (distance) P-C4' energy: -128.879 flat angles C4'-P-C4' energy: -123.979 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -52.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -660.422208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.422208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.422208 (E_RNA) where: Base-Base interactions energy: -266.959 where: short stacking energy: -197.819 Base-Backbone interact. energy: 3.458 local terms energy: -396.921164 where: bonds (distance) C4'-P energy: -143.065 bonds (distance) P-C4' energy: -118.989 flat angles C4'-P-C4' energy: -107.250 flat angles P-C4'-P energy: -50.831 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: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -581.468677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.468677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.468677 (E_RNA) where: Base-Base interactions energy: -213.283 where: short stacking energy: -158.904 Base-Backbone interact. energy: 3.778 local terms energy: -371.963840 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -69.277 tors. eta vs tors. theta energy: 32.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2673.368439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.368439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.368439 (E_RNA) where: Base-Base interactions energy: -1820.802 where: short stacking energy: -769.419 Base-Backbone interact. energy: -3.462 local terms energy: -849.104896 where: bonds (distance) C4'-P energy: -162.906 bonds (distance) P-C4' energy: -159.565 flat angles C4'-P-C4' energy: -179.688 flat angles P-C4'-P energy: -117.848 tors. eta vs tors. theta energy: -229.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2600.230141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.230141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.230141 (E_RNA) where: Base-Base interactions energy: -1798.948 where: short stacking energy: -759.886 Base-Backbone interact. energy: -0.501 local terms energy: -800.781042 where: bonds (distance) C4'-P energy: -136.276 bonds (distance) P-C4' energy: -143.717 flat angles C4'-P-C4' energy: -175.682 flat angles P-C4'-P energy: -110.705 tors. eta vs tors. theta energy: -234.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2378.635042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.635042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.635042 (E_RNA) where: Base-Base interactions energy: -1580.629 where: short stacking energy: -682.727 Base-Backbone interact. energy: -2.320 local terms energy: -795.685567 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -160.805 flat angles C4'-P-C4' energy: -156.745 flat angles P-C4'-P energy: -116.568 tors. eta vs tors. theta energy: -222.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2222.606820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.606820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.606820 (E_RNA) where: Base-Base interactions energy: -1520.066 where: short stacking energy: -632.395 Base-Backbone interact. energy: -6.999 local terms energy: -695.542100 where: bonds (distance) C4'-P energy: -130.556 bonds (distance) P-C4' energy: -150.035 flat angles C4'-P-C4' energy: -148.095 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -167.108 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2221.706967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.706967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.706967 (E_RNA) where: Base-Base interactions energy: -1539.126 where: short stacking energy: -658.357 Base-Backbone interact. energy: 0.360 local terms energy: -682.940500 where: bonds (distance) C4'-P energy: -116.547 bonds (distance) P-C4' energy: -136.602 flat angles C4'-P-C4' energy: -140.072 flat angles P-C4'-P energy: -104.146 tors. eta vs tors. theta energy: -185.573 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: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1925.811663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.811663 (E_RNA) where: Base-Base interactions energy: -1275.929 where: short stacking energy: -556.811 Base-Backbone interact. energy: -4.808 local terms energy: -645.074626 where: bonds (distance) C4'-P energy: -122.989 bonds (distance) P-C4' energy: -146.108 flat angles C4'-P-C4' energy: -139.391 flat angles P-C4'-P energy: -86.954 tors. eta vs tors. theta energy: -149.633 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1493.003323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.003323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.003323 (E_RNA) where: Base-Base interactions energy: -922.846 where: short stacking energy: -427.519 Base-Backbone interact. energy: -1.870 local terms energy: -568.287709 where: bonds (distance) C4'-P energy: -108.650 bonds (distance) P-C4' energy: -126.374 flat angles C4'-P-C4' energy: -147.090 flat angles P-C4'-P energy: -90.066 tors. eta vs tors. theta energy: -96.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1194.333674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.333674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.333674 (E_RNA) where: Base-Base interactions energy: -731.783 where: short stacking energy: -338.051 Base-Backbone interact. energy: -2.761 local terms energy: -459.789116 where: bonds (distance) C4'-P energy: -119.815 bonds (distance) P-C4' energy: -122.826 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -52.384 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: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -702.901127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.901127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.901127 (E_RNA) where: Base-Base interactions energy: -280.747 where: short stacking energy: -185.096 Base-Backbone interact. energy: -0.819 local terms energy: -421.335653 where: bonds (distance) C4'-P energy: -118.481 bonds (distance) P-C4' energy: -135.520 flat angles C4'-P-C4' energy: -119.900 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: 16.505 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: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -543.411112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.411112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.411112 (E_RNA) where: Base-Base interactions energy: -174.306 where: short stacking energy: -149.994 Base-Backbone interact. energy: 1.910 local terms energy: -371.014938 where: bonds (distance) C4'-P energy: -108.392 bonds (distance) P-C4' energy: -129.075 flat angles C4'-P-C4' energy: -118.730 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: 43.696 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: 374 Temperature: 0.900000 Total energy: -2683.859523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.859523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.859523 (E_RNA) where: Base-Base interactions energy: -1839.440 where: short stacking energy: -751.402 Base-Backbone interact. energy: -0.666 local terms energy: -843.753380 where: bonds (distance) C4'-P energy: -153.804 bonds (distance) P-C4' energy: -155.432 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -123.402 tors. eta vs tors. theta energy: -234.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2592.369180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.369180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.369180 (E_RNA) where: Base-Base interactions energy: -1780.855 where: short stacking energy: -764.656 Base-Backbone interact. energy: -2.606 local terms energy: -808.908542 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -148.861 flat angles C4'-P-C4' energy: -175.158 flat angles P-C4'-P energy: -109.400 tors. eta vs tors. theta energy: -240.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2432.349462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.349462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.349462 (E_RNA) where: Base-Base interactions energy: -1668.116 where: short stacking energy: -694.410 Base-Backbone interact. energy: 0.888 local terms energy: -765.121548 where: bonds (distance) C4'-P energy: -139.675 bonds (distance) P-C4' energy: -147.983 flat angles C4'-P-C4' energy: -162.812 flat angles P-C4'-P energy: -118.829 tors. eta vs tors. theta energy: -195.822 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: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2192.247098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.247098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.247098 (E_RNA) where: Base-Base interactions energy: -1480.160 where: short stacking energy: -636.167 Base-Backbone interact. energy: -1.321 local terms energy: -710.766631 where: bonds (distance) C4'-P energy: -131.910 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -159.515 flat angles P-C4'-P energy: -94.017 tors. eta vs tors. theta energy: -183.393 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: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2236.623370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.623370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.623370 (E_RNA) where: Base-Base interactions energy: -1544.819 where: short stacking energy: -636.889 Base-Backbone interact. energy: 0.927 local terms energy: -692.731422 where: bonds (distance) C4'-P energy: -134.800 bonds (distance) P-C4' energy: -132.039 flat angles C4'-P-C4' energy: -144.001 flat angles P-C4'-P energy: -92.018 tors. eta vs tors. theta energy: -189.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1952.243887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.243887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.243887 (E_RNA) where: Base-Base interactions energy: -1308.922 where: short stacking energy: -532.378 Base-Backbone interact. energy: -0.636 local terms energy: -642.685970 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -130.583 flat angles C4'-P-C4' energy: -144.052 flat angles P-C4'-P energy: -100.916 tors. eta vs tors. theta energy: -155.007 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: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1482.599654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.599654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.599654 (E_RNA) where: Base-Base interactions energy: -959.895 where: short stacking energy: -441.254 Base-Backbone interact. energy: -0.918 local terms energy: -521.786494 where: bonds (distance) C4'-P energy: -120.349 bonds (distance) P-C4' energy: -119.013 flat angles C4'-P-C4' energy: -117.293 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -97.720 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: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1206.262488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.262488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.262488 (E_RNA) where: Base-Base interactions energy: -671.564 where: short stacking energy: -341.477 Base-Backbone interact. energy: 2.750 local terms energy: -537.448934 where: bonds (distance) C4'-P energy: -128.329 bonds (distance) P-C4' energy: -133.723 flat angles C4'-P-C4' energy: -135.808 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: -60.271 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -688.281640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.281640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.281640 (E_RNA) where: Base-Base interactions energy: -270.258 where: short stacking energy: -174.716 Base-Backbone interact. energy: -2.049 local terms energy: -415.974210 where: bonds (distance) C4'-P energy: -127.212 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -99.429 flat angles P-C4'-P energy: -69.111 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: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -539.083634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.083634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.083634 (E_RNA) where: Base-Base interactions energy: -195.635 where: short stacking energy: -162.762 Base-Backbone interact. energy: 3.732 local terms energy: -347.180763 where: bonds (distance) C4'-P energy: -121.662 bonds (distance) P-C4' energy: -121.037 flat angles C4'-P-C4' energy: -98.162 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: 39.651 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: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2663.971343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.971343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.971343 (E_RNA) where: Base-Base interactions energy: -1839.985 where: short stacking energy: -771.295 Base-Backbone interact. energy: -4.328 local terms energy: -819.658160 where: bonds (distance) C4'-P energy: -150.000 bonds (distance) P-C4' energy: -142.949 flat angles C4'-P-C4' energy: -175.560 flat angles P-C4'-P energy: -109.739 tors. eta vs tors. theta energy: -241.410 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: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2578.355629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.355629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.355629 (E_RNA) where: Base-Base interactions energy: -1780.465 where: short stacking energy: -741.360 Base-Backbone interact. energy: -2.657 local terms energy: -795.233635 where: bonds (distance) C4'-P energy: -132.038 bonds (distance) P-C4' energy: -162.820 flat angles C4'-P-C4' energy: -170.565 flat angles P-C4'-P energy: -102.500 tors. eta vs tors. theta energy: -227.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2380.761878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.761878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.761878 (E_RNA) where: Base-Base interactions energy: -1625.744 where: short stacking energy: -695.191 Base-Backbone interact. energy: 0.084 local terms energy: -755.102211 where: bonds (distance) C4'-P energy: -126.808 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -162.670 flat angles P-C4'-P energy: -107.908 tors. eta vs tors. theta energy: -216.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2251.967819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.967819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.967819 (E_RNA) where: Base-Base interactions energy: -1531.354 where: short stacking energy: -623.362 Base-Backbone interact. energy: -2.976 local terms energy: -717.637877 where: bonds (distance) C4'-P energy: -140.054 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -152.083 flat angles P-C4'-P energy: -96.218 tors. eta vs tors. theta energy: -187.178 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: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2219.566373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.566373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.566373 (E_RNA) where: Base-Base interactions energy: -1482.814 where: short stacking energy: -661.264 Base-Backbone interact. energy: -0.265 local terms energy: -736.487045 where: bonds (distance) C4'-P energy: -150.980 bonds (distance) P-C4' energy: -130.803 flat angles C4'-P-C4' energy: -158.138 flat angles P-C4'-P energy: -98.714 tors. eta vs tors. theta energy: -197.851 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: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1889.680994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.680994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.680994 (E_RNA) where: Base-Base interactions energy: -1232.572 where: short stacking energy: -520.294 Base-Backbone interact. energy: -0.937 local terms energy: -656.171743 where: bonds (distance) C4'-P energy: -129.464 bonds (distance) P-C4' energy: -113.634 flat angles C4'-P-C4' energy: -159.287 flat angles P-C4'-P energy: -100.183 tors. eta vs tors. theta energy: -153.603 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: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1570.332107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.332107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.332107 (E_RNA) where: Base-Base interactions energy: -1000.647 where: short stacking energy: -428.979 Base-Backbone interact. energy: -0.861 local terms energy: -568.823750 where: bonds (distance) C4'-P energy: -141.076 bonds (distance) P-C4' energy: -124.913 flat angles C4'-P-C4' energy: -142.591 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -90.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1161.535460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.535460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.535460 (E_RNA) where: Base-Base interactions energy: -673.937 where: short stacking energy: -312.457 Base-Backbone interact. energy: 0.933 local terms energy: -488.531716 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -118.323 flat angles C4'-P-C4' energy: -134.427 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -51.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -669.367624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.367624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.367624 (E_RNA) where: Base-Base interactions energy: -228.952 where: short stacking energy: -169.464 Base-Backbone interact. energy: -3.051 local terms energy: -437.364920 where: bonds (distance) C4'-P energy: -130.879 bonds (distance) P-C4' energy: -110.142 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -80.059 tors. eta vs tors. theta energy: 9.299 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: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -559.576071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.576071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.576071 (E_RNA) where: Base-Base interactions energy: -188.984 where: short stacking energy: -148.704 Base-Backbone interact. energy: 0.880 local terms energy: -371.471583 where: bonds (distance) C4'-P energy: -119.961 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -109.890 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: 33.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2688.829917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.829917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.829917 (E_RNA) where: Base-Base interactions energy: -1867.481 where: short stacking energy: -765.058 Base-Backbone interact. energy: -1.074 local terms energy: -820.274671 where: bonds (distance) C4'-P energy: -148.100 bonds (distance) P-C4' energy: -141.161 flat angles C4'-P-C4' energy: -171.321 flat angles P-C4'-P energy: -119.253 tors. eta vs tors. theta energy: -240.441 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: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2618.598404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.598404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.598404 (E_RNA) where: Base-Base interactions energy: -1805.628 where: short stacking energy: -736.692 Base-Backbone interact. energy: 2.057 local terms energy: -815.028011 where: bonds (distance) C4'-P energy: -147.667 bonds (distance) P-C4' energy: -150.132 flat angles C4'-P-C4' energy: -170.732 flat angles P-C4'-P energy: -120.487 tors. eta vs tors. theta energy: -226.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2392.227865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.227865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.227865 (E_RNA) where: Base-Base interactions energy: -1619.187 where: short stacking energy: -685.569 Base-Backbone interact. energy: -2.294 local terms energy: -770.745962 where: bonds (distance) C4'-P energy: -135.356 bonds (distance) P-C4' energy: -147.388 flat angles C4'-P-C4' energy: -166.329 flat angles P-C4'-P energy: -108.902 tors. eta vs tors. theta energy: -212.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2312.948057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.948057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.948057 (E_RNA) where: Base-Base interactions energy: -1592.938 where: short stacking energy: -677.535 Base-Backbone interact. energy: -2.088 local terms energy: -717.921627 where: bonds (distance) C4'-P energy: -131.737 bonds (distance) P-C4' energy: -133.824 flat angles C4'-P-C4' energy: -146.938 flat angles P-C4'-P energy: -98.565 tors. eta vs tors. theta energy: -206.858 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2190.617017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.617017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.617017 (E_RNA) where: Base-Base interactions energy: -1484.654 where: short stacking energy: -599.969 Base-Backbone interact. energy: -0.986 local terms energy: -704.977278 where: bonds (distance) C4'-P energy: -130.122 bonds (distance) P-C4' energy: -144.716 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -183.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1895.291979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.291979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.291979 (E_RNA) where: Base-Base interactions energy: -1243.342 where: short stacking energy: -520.217 Base-Backbone interact. energy: -3.126 local terms energy: -648.823805 where: bonds (distance) C4'-P energy: -134.188 bonds (distance) P-C4' energy: -130.787 flat angles C4'-P-C4' energy: -142.238 flat angles P-C4'-P energy: -100.652 tors. eta vs tors. theta energy: -140.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1539.469870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.469870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.469870 (E_RNA) where: Base-Base interactions energy: -945.492 where: short stacking energy: -416.519 Base-Backbone interact. energy: -2.914 local terms energy: -591.064724 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -146.099 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -108.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1204.679053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.679053 (E_RNA) where: Base-Base interactions energy: -681.560 where: short stacking energy: -339.638 Base-Backbone interact. energy: -4.972 local terms energy: -518.146924 where: bonds (distance) C4'-P energy: -135.839 bonds (distance) P-C4' energy: -127.220 flat angles C4'-P-C4' energy: -121.061 flat angles P-C4'-P energy: -82.545 tors. eta vs tors. theta energy: -51.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -706.179117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.179117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.179117 (E_RNA) where: Base-Base interactions energy: -293.295 where: short stacking energy: -191.284 Base-Backbone interact. energy: -0.156 local terms energy: -412.727950 where: bonds (distance) C4'-P energy: -140.158 bonds (distance) P-C4' energy: -121.641 flat angles C4'-P-C4' energy: -118.708 flat angles P-C4'-P energy: -62.225 tors. eta vs tors. theta energy: 30.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -584.487838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.487838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.487838 (E_RNA) where: Base-Base interactions energy: -222.661 where: short stacking energy: -169.631 Base-Backbone interact. energy: 2.520 local terms energy: -364.346989 where: bonds (distance) C4'-P energy: -124.642 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -103.911 flat angles P-C4'-P energy: -43.125 tors. eta vs tors. theta energy: 24.448 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: 377 Temperature: 0.900000 Total energy: -2682.057369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.057369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.057369 (E_RNA) where: Base-Base interactions energy: -1848.433 where: short stacking energy: -773.567 Base-Backbone interact. energy: -5.168 local terms energy: -828.456676 where: bonds (distance) C4'-P energy: -154.373 bonds (distance) P-C4' energy: -136.500 flat angles C4'-P-C4' energy: -176.048 flat angles P-C4'-P energy: -123.480 tors. eta vs tors. theta energy: -238.056 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2593.208170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.208170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.208170 (E_RNA) where: Base-Base interactions energy: -1770.241 where: short stacking energy: -721.242 Base-Backbone interact. energy: -3.293 local terms energy: -819.673766 where: bonds (distance) C4'-P energy: -144.428 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -183.061 flat angles P-C4'-P energy: -117.744 tors. eta vs tors. theta energy: -227.484 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: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2378.818396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.818396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.818396 (E_RNA) where: Base-Base interactions energy: -1600.850 where: short stacking energy: -696.246 Base-Backbone interact. energy: -0.889 local terms energy: -777.078551 where: bonds (distance) C4'-P energy: -154.611 bonds (distance) P-C4' energy: -141.966 flat angles C4'-P-C4' energy: -159.474 flat angles P-C4'-P energy: -111.450 tors. eta vs tors. theta energy: -209.579 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: 377 Temperature: 1.050000 Total energy: -2284.083358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.083358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.083358 (E_RNA) where: Base-Base interactions energy: -1545.103 where: short stacking energy: -658.197 Base-Backbone interact. energy: 0.341 local terms energy: -739.321643 where: bonds (distance) C4'-P energy: -141.036 bonds (distance) P-C4' energy: -134.981 flat angles C4'-P-C4' energy: -151.948 flat angles P-C4'-P energy: -101.564 tors. eta vs tors. theta energy: -209.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2193.199385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.199385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.199385 (E_RNA) where: Base-Base interactions energy: -1540.108 where: short stacking energy: -643.067 Base-Backbone interact. energy: -3.560 local terms energy: -649.530993 where: bonds (distance) C4'-P energy: -128.733 bonds (distance) P-C4' energy: -114.815 flat angles C4'-P-C4' energy: -145.012 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -173.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1872.287516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.287516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.287516 (E_RNA) where: Base-Base interactions energy: -1245.445 where: short stacking energy: -531.229 Base-Backbone interact. energy: 4.394 local terms energy: -631.236666 where: bonds (distance) C4'-P energy: -116.416 bonds (distance) P-C4' energy: -139.993 flat angles C4'-P-C4' energy: -136.123 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -137.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1554.581818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.581818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.581818 (E_RNA) where: Base-Base interactions energy: -990.678 where: short stacking energy: -434.015 Base-Backbone interact. energy: -2.387 local terms energy: -561.516684 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -135.373 flat angles C4'-P-C4' energy: -128.538 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -92.867 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: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1231.175820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.175820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.175820 (E_RNA) where: Base-Base interactions energy: -726.589 where: short stacking energy: -354.531 Base-Backbone interact. energy: -1.729 local terms energy: -502.858627 where: bonds (distance) C4'-P energy: -127.648 bonds (distance) P-C4' energy: -129.075 flat angles C4'-P-C4' energy: -121.073 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -60.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -700.007677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.007677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.007677 (E_RNA) where: Base-Base interactions energy: -259.279 where: short stacking energy: -205.075 Base-Backbone interact. energy: -2.176 local terms energy: -438.552704 where: bonds (distance) C4'-P energy: -121.270 bonds (distance) P-C4' energy: -132.414 flat angles C4'-P-C4' energy: -117.430 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: 0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -608.673153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.673153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.673153 (E_RNA) where: Base-Base interactions energy: -199.536 where: short stacking energy: -157.895 Base-Backbone interact. energy: -1.963 local terms energy: -407.174625 where: bonds (distance) C4'-P energy: -117.544 bonds (distance) P-C4' energy: -117.948 flat angles C4'-P-C4' energy: -114.503 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: 16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2675.064607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.064607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.064607 (E_RNA) where: Base-Base interactions energy: -1855.507 where: short stacking energy: -785.097 Base-Backbone interact. energy: 0.875 local terms energy: -820.432596 where: bonds (distance) C4'-P energy: -134.924 bonds (distance) P-C4' energy: -146.642 flat angles C4'-P-C4' energy: -169.852 flat angles P-C4'-P energy: -134.139 tors. eta vs tors. theta energy: -234.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2593.975359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.975359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.975359 (E_RNA) where: Base-Base interactions energy: -1813.737 where: short stacking energy: -731.983 Base-Backbone interact. energy: -0.180 local terms energy: -780.058774 where: bonds (distance) C4'-P energy: -149.640 bonds (distance) P-C4' energy: -147.186 flat angles C4'-P-C4' energy: -155.378 flat angles P-C4'-P energy: -117.192 tors. eta vs tors. theta energy: -210.663 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: 378 Temperature: 1.000000 Total energy: -2334.871978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.871978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.871978 (E_RNA) where: Base-Base interactions energy: -1566.732 where: short stacking energy: -690.345 Base-Backbone interact. energy: 2.266 local terms energy: -770.405745 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -145.050 flat angles C4'-P-C4' energy: -178.388 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -204.732 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: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2260.573290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.573290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.573290 (E_RNA) where: Base-Base interactions energy: -1537.601 where: short stacking energy: -673.192 Base-Backbone interact. energy: -2.910 local terms energy: -720.062756 where: bonds (distance) C4'-P energy: -126.479 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -164.530 flat angles P-C4'-P energy: -99.590 tors. eta vs tors. theta energy: -196.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2169.421549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.421549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.421549 (E_RNA) where: Base-Base interactions energy: -1470.780 where: short stacking energy: -633.410 Base-Backbone interact. energy: -2.771 local terms energy: -695.870735 where: bonds (distance) C4'-P energy: -127.765 bonds (distance) P-C4' energy: -128.298 flat angles C4'-P-C4' energy: -162.289 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -182.899 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: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1859.037968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.037968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.037968 (E_RNA) where: Base-Base interactions energy: -1233.467 where: short stacking energy: -522.747 Base-Backbone interact. energy: 0.632 local terms energy: -626.202511 where: bonds (distance) C4'-P energy: -128.582 bonds (distance) P-C4' energy: -127.693 flat angles C4'-P-C4' energy: -144.179 flat angles P-C4'-P energy: -92.443 tors. eta vs tors. theta energy: -133.306 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: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1601.709800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.709800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.709800 (E_RNA) where: Base-Base interactions energy: -1034.403 where: short stacking energy: -439.503 Base-Backbone interact. energy: 0.014 local terms energy: -567.320421 where: bonds (distance) C4'-P energy: -123.366 bonds (distance) P-C4' energy: -130.019 flat angles C4'-P-C4' energy: -118.213 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -104.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1239.478285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.478285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.478285 (E_RNA) where: Base-Base interactions energy: -755.923 where: short stacking energy: -371.462 Base-Backbone interact. energy: 3.757 local terms energy: -487.311624 where: bonds (distance) C4'-P energy: -108.200 bonds (distance) P-C4' energy: -131.583 flat angles C4'-P-C4' energy: -113.271 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -62.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -690.311510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.311510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.311510 (E_RNA) where: Base-Base interactions energy: -270.368 where: short stacking energy: -189.056 Base-Backbone interact. energy: -0.768 local terms energy: -419.175349 where: bonds (distance) C4'-P energy: -118.531 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -111.768 flat angles P-C4'-P energy: -76.397 tors. eta vs tors. theta energy: 8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -562.675181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.675181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.675181 (E_RNA) where: Base-Base interactions energy: -187.019 where: short stacking energy: -131.186 Base-Backbone interact. energy: 1.169 local terms energy: -376.825008 where: bonds (distance) C4'-P energy: -118.807 bonds (distance) P-C4' energy: -135.044 flat angles C4'-P-C4' energy: -97.282 flat angles P-C4'-P energy: -60.561 tors. eta vs tors. theta energy: 34.868 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: 379 Temperature: 0.900000 Total energy: -2674.128266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.128266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.128266 (E_RNA) where: Base-Base interactions energy: -1818.545 where: short stacking energy: -780.151 Base-Backbone interact. energy: -5.191 local terms energy: -850.392283 where: bonds (distance) C4'-P energy: -148.985 bonds (distance) P-C4' energy: -157.602 flat angles C4'-P-C4' energy: -177.011 flat angles P-C4'-P energy: -128.895 tors. eta vs tors. theta energy: -237.899 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: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2585.081796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.081796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.081796 (E_RNA) where: Base-Base interactions energy: -1770.092 where: short stacking energy: -738.248 Base-Backbone interact. energy: -5.293 local terms energy: -809.697341 where: bonds (distance) C4'-P energy: -158.003 bonds (distance) P-C4' energy: -150.236 flat angles C4'-P-C4' energy: -170.582 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -227.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2376.569509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.569509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.569509 (E_RNA) where: Base-Base interactions energy: -1614.913 where: short stacking energy: -701.561 Base-Backbone interact. energy: 0.387 local terms energy: -762.043684 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -141.602 flat angles C4'-P-C4' energy: -161.548 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -215.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2255.486855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.486855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.486855 (E_RNA) where: Base-Base interactions energy: -1530.986 where: short stacking energy: -649.596 Base-Backbone interact. energy: -3.436 local terms energy: -721.064866 where: bonds (distance) C4'-P energy: -131.573 bonds (distance) P-C4' energy: -154.074 flat angles C4'-P-C4' energy: -160.001 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -192.606 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: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2213.656336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.656336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.656336 (E_RNA) where: Base-Base interactions energy: -1497.232 where: short stacking energy: -638.332 Base-Backbone interact. energy: -0.429 local terms energy: -715.995358 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -148.988 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -91.530 tors. eta vs tors. theta energy: -192.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1832.250228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.250228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.250228 (E_RNA) where: Base-Base interactions energy: -1181.783 where: short stacking energy: -507.652 Base-Backbone interact. energy: 0.465 local terms energy: -650.931799 where: bonds (distance) C4'-P energy: -135.291 bonds (distance) P-C4' energy: -132.923 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -99.395 tors. eta vs tors. theta energy: -126.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1567.208227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.208227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.208227 (E_RNA) where: Base-Base interactions energy: -984.880 where: short stacking energy: -430.621 Base-Backbone interact. energy: 1.838 local terms energy: -584.165878 where: bonds (distance) C4'-P energy: -120.380 bonds (distance) P-C4' energy: -136.560 flat angles C4'-P-C4' energy: -122.922 flat angles P-C4'-P energy: -101.022 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: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1253.611619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.611619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.611619 (E_RNA) where: Base-Base interactions energy: -743.580 where: short stacking energy: -373.952 Base-Backbone interact. energy: 5.881 local terms energy: -515.912787 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -129.296 flat angles C4'-P-C4' energy: -112.540 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -64.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -668.097499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.097499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.097499 (E_RNA) where: Base-Base interactions energy: -243.195 where: short stacking energy: -163.833 Base-Backbone interact. energy: 2.394 local terms energy: -427.296688 where: bonds (distance) C4'-P energy: -124.875 bonds (distance) P-C4' energy: -150.045 flat angles C4'-P-C4' energy: -99.629 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: 18.195 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: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -551.046145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.046145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.046145 (E_RNA) where: Base-Base interactions energy: -180.361 where: short stacking energy: -125.865 Base-Backbone interact. energy: 0.547 local terms energy: -371.232005 where: bonds (distance) C4'-P energy: -118.520 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: 35.120 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: 380 Temperature: 0.900000 Total energy: -2662.749837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.749837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.749837 (E_RNA) where: Base-Base interactions energy: -1847.408 where: short stacking energy: -776.241 Base-Backbone interact. energy: 0.073 local terms energy: -815.415032 where: bonds (distance) C4'-P energy: -152.570 bonds (distance) P-C4' energy: -139.375 flat angles C4'-P-C4' energy: -168.739 flat angles P-C4'-P energy: -113.628 tors. eta vs tors. theta energy: -241.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2599.155150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.155150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.155150 (E_RNA) where: Base-Base interactions energy: -1780.441 where: short stacking energy: -771.409 Base-Backbone interact. energy: 0.752 local terms energy: -819.466055 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -155.420 flat angles C4'-P-C4' energy: -174.879 flat angles P-C4'-P energy: -106.630 tors. eta vs tors. theta energy: -241.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2367.341826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.341826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.341826 (E_RNA) where: Base-Base interactions energy: -1622.212 where: short stacking energy: -717.260 Base-Backbone interact. energy: -1.667 local terms energy: -743.463381 where: bonds (distance) C4'-P energy: -130.139 bonds (distance) P-C4' energy: -137.510 flat angles C4'-P-C4' energy: -153.204 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -214.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2263.823746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.823746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.823746 (E_RNA) where: Base-Base interactions energy: -1525.757 where: short stacking energy: -647.954 Base-Backbone interact. energy: 3.039 local terms energy: -741.105316 where: bonds (distance) C4'-P energy: -116.998 bonds (distance) P-C4' energy: -156.854 flat angles C4'-P-C4' energy: -171.689 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -195.130 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: 380 Temperature: 1.100000 Total energy: -2242.334487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.334487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.334487 (E_RNA) where: Base-Base interactions energy: -1485.247 where: short stacking energy: -664.083 Base-Backbone interact. energy: -3.408 local terms energy: -753.679125 where: bonds (distance) C4'-P energy: -139.762 bonds (distance) P-C4' energy: -150.871 flat angles C4'-P-C4' energy: -168.788 flat angles P-C4'-P energy: -97.320 tors. eta vs tors. theta energy: -196.938 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: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1838.600313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.600313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.600313 (E_RNA) where: Base-Base interactions energy: -1224.351 where: short stacking energy: -517.185 Base-Backbone interact. energy: 3.955 local terms energy: -618.204205 where: bonds (distance) C4'-P energy: -109.180 bonds (distance) P-C4' energy: -127.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -95.639 tors. eta vs tors. theta energy: -138.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1708.462279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.462279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.462279 (E_RNA) where: Base-Base interactions energy: -1104.134 where: short stacking energy: -505.213 Base-Backbone interact. energy: -2.244 local terms energy: -602.084239 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -118.688 flat angles C4'-P-C4' energy: -133.738 flat angles P-C4'-P energy: -91.133 tors. eta vs tors. theta energy: -135.884 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: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1262.505174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.505174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.505174 (E_RNA) where: Base-Base interactions energy: -771.947 where: short stacking energy: -370.384 Base-Backbone interact. energy: 3.098 local terms energy: -493.655384 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -115.946 flat angles C4'-P-C4' energy: -127.535 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -66.918 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: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -698.614780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.614780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.614780 (E_RNA) where: Base-Base interactions energy: -304.339 where: short stacking energy: -175.109 Base-Backbone interact. energy: -2.558 local terms energy: -391.717893 where: bonds (distance) C4'-P energy: -128.222 bonds (distance) P-C4' energy: -140.736 flat angles C4'-P-C4' energy: -96.275 flat angles P-C4'-P energy: -65.059 tors. eta vs tors. theta energy: 38.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -566.550883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.550883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.550883 (E_RNA) where: Base-Base interactions energy: -211.770 where: short stacking energy: -155.316 Base-Backbone interact. energy: -2.281 local terms energy: -352.499435 where: bonds (distance) C4'-P energy: -123.109 bonds (distance) P-C4' energy: -119.944 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: 31.497 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: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2671.721826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.721826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.721826 (E_RNA) where: Base-Base interactions energy: -1871.430 where: short stacking energy: -767.965 Base-Backbone interact. energy: -5.145 local terms energy: -795.147109 where: bonds (distance) C4'-P energy: -146.400 bonds (distance) P-C4' energy: -131.077 flat angles C4'-P-C4' energy: -168.334 flat angles P-C4'-P energy: -116.226 tors. eta vs tors. theta energy: -233.110 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: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2612.697328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.697328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.697328 (E_RNA) where: Base-Base interactions energy: -1796.680 where: short stacking energy: -760.493 Base-Backbone interact. energy: -2.133 local terms energy: -813.884829 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -161.869 flat angles C4'-P-C4' energy: -173.563 flat angles P-C4'-P energy: -103.299 tors. eta vs tors. theta energy: -239.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2353.533119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.533119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.533119 (E_RNA) where: Base-Base interactions energy: -1608.226 where: short stacking energy: -708.859 Base-Backbone interact. energy: -0.811 local terms energy: -744.495840 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -147.090 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -78.589 tors. eta vs tors. theta energy: -214.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2266.627468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.627468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.627468 (E_RNA) where: Base-Base interactions energy: -1564.279 where: short stacking energy: -664.369 Base-Backbone interact. energy: 4.300 local terms energy: -706.649073 where: bonds (distance) C4'-P energy: -123.233 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -164.937 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -187.405 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: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2180.837409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.837409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.837409 (E_RNA) where: Base-Base interactions energy: -1457.580 where: short stacking energy: -620.591 Base-Backbone interact. energy: 0.165 local terms energy: -723.422367 where: bonds (distance) C4'-P energy: -123.775 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -164.633 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -190.427 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: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1840.837259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.837259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.837259 (E_RNA) where: Base-Base interactions energy: -1210.482 where: short stacking energy: -510.613 Base-Backbone interact. energy: -0.031 local terms energy: -630.323859 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -141.990 flat angles P-C4'-P energy: -97.736 tors. eta vs tors. theta energy: -123.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1677.675982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.675982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.675982 (E_RNA) where: Base-Base interactions energy: -1115.357 where: short stacking energy: -487.929 Base-Backbone interact. energy: 6.592 local terms energy: -568.910488 where: bonds (distance) C4'-P energy: -121.919 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -120.600 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -122.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1244.492660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.492660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.492660 (E_RNA) where: Base-Base interactions energy: -772.227 where: short stacking energy: -340.856 Base-Backbone interact. energy: 2.295 local terms energy: -474.560787 where: bonds (distance) C4'-P energy: -117.475 bonds (distance) P-C4' energy: -113.802 flat angles C4'-P-C4' energy: -120.840 flat angles P-C4'-P energy: -57.406 tors. eta vs tors. theta energy: -65.038 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: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -679.253983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.253983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.253983 (E_RNA) where: Base-Base interactions energy: -264.511 where: short stacking energy: -198.732 Base-Backbone interact. energy: 2.551 local terms energy: -417.294068 where: bonds (distance) C4'-P energy: -130.341 bonds (distance) P-C4' energy: -138.583 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: 14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -557.416713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.416713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.416713 (E_RNA) where: Base-Base interactions energy: -207.391 where: short stacking energy: -145.390 Base-Backbone interact. energy: 2.308 local terms energy: -352.334057 where: bonds (distance) C4'-P energy: -101.466 bonds (distance) P-C4' energy: -136.915 flat angles C4'-P-C4' energy: -91.365 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: 31.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2684.614053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.614053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.614053 (E_RNA) where: Base-Base interactions energy: -1848.391 where: short stacking energy: -781.182 Base-Backbone interact. energy: -2.295 local terms energy: -833.928197 where: bonds (distance) C4'-P energy: -151.473 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -162.497 flat angles P-C4'-P energy: -128.984 tors. eta vs tors. theta energy: -242.350 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: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2601.995107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.995107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.995107 (E_RNA) where: Base-Base interactions energy: -1788.055 where: short stacking energy: -758.917 Base-Backbone interact. energy: -6.054 local terms energy: -807.886107 where: bonds (distance) C4'-P energy: -138.593 bonds (distance) P-C4' energy: -149.847 flat angles C4'-P-C4' energy: -168.884 flat angles P-C4'-P energy: -108.064 tors. eta vs tors. theta energy: -242.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2320.955707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.955707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.955707 (E_RNA) where: Base-Base interactions energy: -1573.807 where: short stacking energy: -628.182 Base-Backbone interact. energy: -2.681 local terms energy: -744.467700 where: bonds (distance) C4'-P energy: -128.236 bonds (distance) P-C4' energy: -156.831 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -103.398 tors. eta vs tors. theta energy: -189.563 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2293.181587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.181587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.181587 (E_RNA) where: Base-Base interactions energy: -1568.370 where: short stacking energy: -638.147 Base-Backbone interact. energy: 1.100 local terms energy: -725.911449 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -142.351 flat angles C4'-P-C4' energy: -150.725 flat angles P-C4'-P energy: -107.648 tors. eta vs tors. theta energy: -197.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2201.901514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.901514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.901514 (E_RNA) where: Base-Base interactions energy: -1519.710 where: short stacking energy: -648.314 Base-Backbone interact. energy: -1.929 local terms energy: -680.262657 where: bonds (distance) C4'-P energy: -118.787 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -142.792 flat angles P-C4'-P energy: -100.467 tors. eta vs tors. theta energy: -180.670 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: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1828.312218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.312218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.312218 (E_RNA) where: Base-Base interactions energy: -1186.750 where: short stacking energy: -515.181 Base-Backbone interact. energy: -2.642 local terms energy: -638.920086 where: bonds (distance) C4'-P energy: -123.854 bonds (distance) P-C4' energy: -147.010 flat angles C4'-P-C4' energy: -145.325 flat angles P-C4'-P energy: -89.836 tors. eta vs tors. theta energy: -132.895 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: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1653.143537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.143537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.143537 (E_RNA) where: Base-Base interactions energy: -1064.100 where: short stacking energy: -483.269 Base-Backbone interact. energy: -2.907 local terms energy: -586.136267 where: bonds (distance) C4'-P energy: -126.025 bonds (distance) P-C4' energy: -128.997 flat angles C4'-P-C4' energy: -134.719 flat angles P-C4'-P energy: -78.977 tors. eta vs tors. theta energy: -117.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1209.595940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.595940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.595940 (E_RNA) where: Base-Base interactions energy: -714.241 where: short stacking energy: -326.555 Base-Backbone interact. energy: 5.725 local terms energy: -501.080092 where: bonds (distance) C4'-P energy: -136.392 bonds (distance) P-C4' energy: -131.425 flat angles C4'-P-C4' energy: -108.301 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -43.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -667.424291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.424291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.424291 (E_RNA) where: Base-Base interactions energy: -277.117 where: short stacking energy: -177.656 Base-Backbone interact. energy: -2.874 local terms energy: -387.433605 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -154.855 flat angles C4'-P-C4' energy: -91.113 flat angles P-C4'-P energy: -52.199 tors. eta vs tors. theta energy: 13.718 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: 382 Temperature: 1.350000 Total energy: -632.273115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.273115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.273115 (E_RNA) where: Base-Base interactions energy: -249.766 where: short stacking energy: -163.106 Base-Backbone interact. energy: 4.566 local terms energy: -387.072213 where: bonds (distance) C4'-P energy: -150.148 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -92.740 flat angles P-C4'-P energy: -56.333 tors. eta vs tors. theta energy: 31.284 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: 383 Temperature: 0.900000 Total energy: -2676.625510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.625510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.625510 (E_RNA) where: Base-Base interactions energy: -1832.227 where: short stacking energy: -768.010 Base-Backbone interact. energy: -5.335 local terms energy: -839.063590 where: bonds (distance) C4'-P energy: -147.837 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -171.483 flat angles P-C4'-P energy: -125.354 tors. eta vs tors. theta energy: -232.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2610.367713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.367713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.367713 (E_RNA) where: Base-Base interactions energy: -1789.888 where: short stacking energy: -763.890 Base-Backbone interact. energy: -2.094 local terms energy: -818.385707 where: bonds (distance) C4'-P energy: -145.647 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -177.084 flat angles P-C4'-P energy: -116.455 tors. eta vs tors. theta energy: -234.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2339.610320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.610320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.610320 (E_RNA) where: Base-Base interactions energy: -1579.819 where: short stacking energy: -681.956 Base-Backbone interact. energy: -4.093 local terms energy: -755.698512 where: bonds (distance) C4'-P energy: -137.115 bonds (distance) P-C4' energy: -149.557 flat angles C4'-P-C4' energy: -167.550 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -198.622 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: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2292.619914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.619914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.619914 (E_RNA) where: Base-Base interactions energy: -1618.460 where: short stacking energy: -660.240 Base-Backbone interact. energy: -5.156 local terms energy: -669.004025 where: bonds (distance) C4'-P energy: -103.208 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -146.455 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -193.875 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: 383 Temperature: 1.100000 Total energy: -2260.960415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.960415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.960415 (E_RNA) where: Base-Base interactions energy: -1554.084 where: short stacking energy: -637.427 Base-Backbone interact. energy: 0.035 local terms energy: -706.911428 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -149.368 flat angles C4'-P-C4' energy: -155.942 flat angles P-C4'-P energy: -94.443 tors. eta vs tors. theta energy: -190.226 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: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1759.085103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.085103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.085103 (E_RNA) where: Base-Base interactions energy: -1144.717 where: short stacking energy: -495.683 Base-Backbone interact. energy: 6.197 local terms energy: -620.565458 where: bonds (distance) C4'-P energy: -120.857 bonds (distance) P-C4' energy: -136.745 flat angles C4'-P-C4' energy: -152.176 flat angles P-C4'-P energy: -91.525 tors. eta vs tors. theta energy: -119.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1722.626346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.626346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.626346 (E_RNA) where: Base-Base interactions energy: -1127.841 where: short stacking energy: -465.227 Base-Backbone interact. energy: -1.012 local terms energy: -593.773238 where: bonds (distance) C4'-P energy: -134.822 bonds (distance) P-C4' energy: -129.281 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -78.628 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: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1176.706267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.706267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.706267 (E_RNA) where: Base-Base interactions energy: -675.813 where: short stacking energy: -328.588 Base-Backbone interact. energy: 3.540 local terms energy: -504.433298 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -132.998 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -86.949 tors. eta vs tors. theta energy: -54.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -650.244057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.244057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.244057 (E_RNA) where: Base-Base interactions energy: -263.867 where: short stacking energy: -191.811 Base-Backbone interact. energy: -1.992 local terms energy: -384.385848 where: bonds (distance) C4'-P energy: -119.889 bonds (distance) P-C4' energy: -123.712 flat angles C4'-P-C4' energy: -109.255 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: 19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -602.438013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.438013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.438013 (E_RNA) where: Base-Base interactions energy: -211.263 where: short stacking energy: -144.051 Base-Backbone interact. energy: -0.984 local terms energy: -390.191018 where: bonds (distance) C4'-P energy: -118.354 bonds (distance) P-C4' energy: -123.532 flat angles C4'-P-C4' energy: -113.347 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: 17.823 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: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2679.387523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.387523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.387523 (E_RNA) where: Base-Base interactions energy: -1838.039 where: short stacking energy: -767.811 Base-Backbone interact. energy: -8.524 local terms energy: -832.824768 where: bonds (distance) C4'-P energy: -157.810 bonds (distance) P-C4' energy: -140.862 flat angles C4'-P-C4' energy: -183.787 flat angles P-C4'-P energy: -105.544 tors. eta vs tors. theta energy: -244.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2596.349048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.349048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.349048 (E_RNA) where: Base-Base interactions energy: -1786.394 where: short stacking energy: -744.485 Base-Backbone interact. energy: -3.851 local terms energy: -806.104096 where: bonds (distance) C4'-P energy: -149.588 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -163.303 flat angles P-C4'-P energy: -119.806 tors. eta vs tors. theta energy: -230.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2369.312284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.312284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.312284 (E_RNA) where: Base-Base interactions energy: -1622.431 where: short stacking energy: -667.915 Base-Backbone interact. energy: -4.172 local terms energy: -742.709715 where: bonds (distance) C4'-P energy: -127.021 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -158.005 flat angles P-C4'-P energy: -103.315 tors. eta vs tors. theta energy: -204.546 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: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2267.801217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.801217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.801217 (E_RNA) where: Base-Base interactions energy: -1518.999 where: short stacking energy: -623.436 Base-Backbone interact. energy: 0.866 local terms energy: -749.668893 where: bonds (distance) C4'-P energy: -136.080 bonds (distance) P-C4' energy: -158.234 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -98.323 tors. eta vs tors. theta energy: -192.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2219.463870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.463870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.463870 (E_RNA) where: Base-Base interactions energy: -1508.975 where: short stacking energy: -627.303 Base-Backbone interact. energy: 2.438 local terms energy: -712.926781 where: bonds (distance) C4'-P energy: -140.142 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -155.034 flat angles P-C4'-P energy: -96.456 tors. eta vs tors. theta energy: -183.829 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: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1844.349232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.349232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.349232 (E_RNA) where: Base-Base interactions energy: -1243.138 where: short stacking energy: -511.076 Base-Backbone interact. energy: -3.500 local terms energy: -597.710599 where: bonds (distance) C4'-P energy: -143.386 bonds (distance) P-C4' energy: -118.460 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -69.906 tors. eta vs tors. theta energy: -122.174 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: 3 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1725.246054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.246054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.246054 (E_RNA) where: Base-Base interactions energy: -1137.280 where: short stacking energy: -462.858 Base-Backbone interact. energy: 3.342 local terms energy: -591.308050 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -111.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1124.347076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.347076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.347076 (E_RNA) where: Base-Base interactions energy: -632.932 where: short stacking energy: -304.797 Base-Backbone interact. energy: -1.743 local terms energy: -489.672924 where: bonds (distance) C4'-P energy: -116.738 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -120.258 flat angles P-C4'-P energy: -73.836 tors. eta vs tors. theta energy: -52.232 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: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -690.070063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.070063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.070063 (E_RNA) where: Base-Base interactions energy: -280.019 where: short stacking energy: -178.561 Base-Backbone interact. energy: 0.913 local terms energy: -410.964650 where: bonds (distance) C4'-P energy: -138.771 bonds (distance) P-C4' energy: -125.980 flat angles C4'-P-C4' energy: -101.219 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: 22.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -565.042890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.042890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.042890 (E_RNA) where: Base-Base interactions energy: -197.965 where: short stacking energy: -150.395 Base-Backbone interact. energy: -1.254 local terms energy: -365.824110 where: bonds (distance) C4'-P energy: -102.415 bonds (distance) P-C4' energy: -138.787 flat angles C4'-P-C4' energy: -114.191 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: 46.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2649.287053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.287053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.287053 (E_RNA) where: Base-Base interactions energy: -1819.044 where: short stacking energy: -772.024 Base-Backbone interact. energy: -4.008 local terms energy: -826.235373 where: bonds (distance) C4'-P energy: -144.569 bonds (distance) P-C4' energy: -154.981 flat angles C4'-P-C4' energy: -176.580 flat angles P-C4'-P energy: -117.860 tors. eta vs tors. theta energy: -232.245 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: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2602.744647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.744647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.744647 (E_RNA) where: Base-Base interactions energy: -1795.491 where: short stacking energy: -769.478 Base-Backbone interact. energy: -2.903 local terms energy: -804.350118 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -137.940 flat angles C4'-P-C4' energy: -166.926 flat angles P-C4'-P energy: -111.777 tors. eta vs tors. theta energy: -243.606 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: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2402.755900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.755900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.755900 (E_RNA) where: Base-Base interactions energy: -1614.947 where: short stacking energy: -683.747 Base-Backbone interact. energy: -2.381 local terms energy: -785.427499 where: bonds (distance) C4'-P energy: -145.824 bonds (distance) P-C4' energy: -133.647 flat angles C4'-P-C4' energy: -176.611 flat angles P-C4'-P energy: -120.918 tors. eta vs tors. theta energy: -208.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2262.176485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.176485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.176485 (E_RNA) where: Base-Base interactions energy: -1518.240 where: short stacking energy: -639.661 Base-Backbone interact. energy: -1.775 local terms energy: -742.161186 where: bonds (distance) C4'-P energy: -153.746 bonds (distance) P-C4' energy: -143.482 flat angles C4'-P-C4' energy: -156.014 flat angles P-C4'-P energy: -95.280 tors. eta vs tors. theta energy: -193.639 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: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2150.808202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.808202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.808202 (E_RNA) where: Base-Base interactions energy: -1451.704 where: short stacking energy: -605.205 Base-Backbone interact. energy: 2.136 local terms energy: -701.240076 where: bonds (distance) C4'-P energy: -132.864 bonds (distance) P-C4' energy: -146.643 flat angles C4'-P-C4' energy: -153.809 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -161.403 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: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1738.511490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.511490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.511490 (E_RNA) where: Base-Base interactions energy: -1116.412 where: short stacking energy: -481.524 Base-Backbone interact. energy: -5.810 local terms energy: -616.290317 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -144.071 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -107.221 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: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1705.874864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.874864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.874864 (E_RNA) where: Base-Base interactions energy: -1154.019 where: short stacking energy: -502.709 Base-Backbone interact. energy: 7.477 local terms energy: -559.333337 where: bonds (distance) C4'-P energy: -106.607 bonds (distance) P-C4' energy: -114.747 flat angles C4'-P-C4' energy: -127.069 flat angles P-C4'-P energy: -86.597 tors. eta vs tors. theta energy: -124.313 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: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1147.721428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.721428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.721428 (E_RNA) where: Base-Base interactions energy: -677.768 where: short stacking energy: -310.671 Base-Backbone interact. energy: 1.874 local terms energy: -471.827672 where: bonds (distance) C4'-P energy: -113.482 bonds (distance) P-C4' energy: -125.359 flat angles C4'-P-C4' energy: -126.215 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: -36.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -660.070875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.070875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.070875 (E_RNA) where: Base-Base interactions energy: -258.269 where: short stacking energy: -177.555 Base-Backbone interact. energy: 9.211 local terms energy: -411.012890 where: bonds (distance) C4'-P energy: -106.693 bonds (distance) P-C4' energy: -141.241 flat angles C4'-P-C4' energy: -101.842 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: 2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -562.788544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.788544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.788544 (E_RNA) where: Base-Base interactions energy: -200.471 where: short stacking energy: -131.965 Base-Backbone interact. energy: 2.842 local terms energy: -365.159237 where: bonds (distance) C4'-P energy: -124.140 bonds (distance) P-C4' energy: -118.138 flat angles C4'-P-C4' energy: -97.868 flat angles P-C4'-P energy: -73.383 tors. eta vs tors. theta energy: 48.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2660.908012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.908012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.908012 (E_RNA) where: Base-Base interactions energy: -1825.382 where: short stacking energy: -745.579 Base-Backbone interact. energy: -2.974 local terms energy: -832.551879 where: bonds (distance) C4'-P energy: -145.542 bonds (distance) P-C4' energy: -152.387 flat angles C4'-P-C4' energy: -175.237 flat angles P-C4'-P energy: -123.906 tors. eta vs tors. theta energy: -235.479 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: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2626.197163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.197163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.197163 (E_RNA) where: Base-Base interactions energy: -1817.591 where: short stacking energy: -751.856 Base-Backbone interact. energy: -3.645 local terms energy: -804.962017 where: bonds (distance) C4'-P energy: -133.980 bonds (distance) P-C4' energy: -136.864 flat angles C4'-P-C4' energy: -181.664 flat angles P-C4'-P energy: -125.288 tors. eta vs tors. theta energy: -227.167 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: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2341.166373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.166373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.166373 (E_RNA) where: Base-Base interactions energy: -1573.947 where: short stacking energy: -686.502 Base-Backbone interact. energy: -2.052 local terms energy: -765.167685 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -123.750 tors. eta vs tors. theta energy: -209.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2216.006658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.006658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.006658 (E_RNA) where: Base-Base interactions energy: -1489.794 where: short stacking energy: -625.665 Base-Backbone interact. energy: -1.416 local terms energy: -724.796687 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -160.793 flat angles P-C4'-P energy: -95.135 tors. eta vs tors. theta energy: -185.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2209.393253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.393253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.393253 (E_RNA) where: Base-Base interactions energy: -1518.929 where: short stacking energy: -625.056 Base-Backbone interact. energy: -4.098 local terms energy: -686.366230 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -164.986 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -180.282 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: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1744.737493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.737493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.737493 (E_RNA) where: Base-Base interactions energy: -1133.268 where: short stacking energy: -478.503 Base-Backbone interact. energy: -1.075 local terms energy: -610.394291 where: bonds (distance) C4'-P energy: -130.641 bonds (distance) P-C4' energy: -139.171 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: -121.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1727.043014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.043014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.043014 (E_RNA) where: Base-Base interactions energy: -1174.890 where: short stacking energy: -482.349 Base-Backbone interact. energy: -2.786 local terms energy: -549.367116 where: bonds (distance) C4'-P energy: -97.776 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -139.804 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -102.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1157.515798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.515798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.515798 (E_RNA) where: Base-Base interactions energy: -660.226 where: short stacking energy: -331.038 Base-Backbone interact. energy: 0.872 local terms energy: -498.161607 where: bonds (distance) C4'-P energy: -111.656 bonds (distance) P-C4' energy: -134.660 flat angles C4'-P-C4' energy: -122.923 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -40.223 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: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -613.624377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.624377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.624377 (E_RNA) where: Base-Base interactions energy: -253.761 where: short stacking energy: -190.647 Base-Backbone interact. energy: 3.330 local terms energy: -363.193196 where: bonds (distance) C4'-P energy: -114.062 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -108.099 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: 31.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -622.179008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.179008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.179008 (E_RNA) where: Base-Base interactions energy: -235.804 where: short stacking energy: -145.243 Base-Backbone interact. energy: -2.540 local terms energy: -383.835493 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -110.053 flat angles C4'-P-C4' energy: -115.433 flat angles P-C4'-P energy: -59.374 tors. eta vs tors. theta energy: 24.414 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: 387 Temperature: 0.900000 Total energy: -2687.715445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.715445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.715445 (E_RNA) where: Base-Base interactions energy: -1855.227 where: short stacking energy: -793.884 Base-Backbone interact. energy: -2.840 local terms energy: -829.647731 where: bonds (distance) C4'-P energy: -139.582 bonds (distance) P-C4' energy: -163.484 flat angles C4'-P-C4' energy: -170.552 flat angles P-C4'-P energy: -118.454 tors. eta vs tors. theta energy: -237.576 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: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2595.088069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.088069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.088069 (E_RNA) where: Base-Base interactions energy: -1787.176 where: short stacking energy: -753.891 Base-Backbone interact. energy: -2.452 local terms energy: -805.460172 where: bonds (distance) C4'-P energy: -139.893 bonds (distance) P-C4' energy: -144.526 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -114.218 tors. eta vs tors. theta energy: -229.992 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: 387 Temperature: 1.000000 Total energy: -2358.648542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.648542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.648542 (E_RNA) where: Base-Base interactions energy: -1601.279 where: short stacking energy: -661.152 Base-Backbone interact. energy: -1.839 local terms energy: -755.530724 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -140.732 flat angles C4'-P-C4' energy: -135.766 flat angles P-C4'-P energy: -124.813 tors. eta vs tors. theta energy: -208.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2249.823096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.823096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.823096 (E_RNA) where: Base-Base interactions energy: -1534.660 where: short stacking energy: -637.000 Base-Backbone interact. energy: -3.165 local terms energy: -711.997669 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -130.601 flat angles C4'-P-C4' energy: -156.999 flat angles P-C4'-P energy: -105.164 tors. eta vs tors. theta energy: -182.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2278.894572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.894572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.894572 (E_RNA) where: Base-Base interactions energy: -1534.895 where: short stacking energy: -628.995 Base-Backbone interact. energy: -2.093 local terms energy: -741.906008 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -124.714 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -117.457 tors. eta vs tors. theta energy: -194.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1815.491412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.491412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.491412 (E_RNA) where: Base-Base interactions energy: -1195.114 where: short stacking energy: -470.515 Base-Backbone interact. energy: -2.353 local terms energy: -618.025092 where: bonds (distance) C4'-P energy: -144.929 bonds (distance) P-C4' energy: -114.395 flat angles C4'-P-C4' energy: -149.642 flat angles P-C4'-P energy: -93.211 tors. eta vs tors. theta energy: -115.848 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: 387 Temperature: 1.200000 Total energy: -1655.081308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.081308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.081308 (E_RNA) where: Base-Base interactions energy: -1070.284 where: short stacking energy: -474.536 Base-Backbone interact. energy: -1.974 local terms energy: -582.823107 where: bonds (distance) C4'-P energy: -116.669 bonds (distance) P-C4' energy: -145.037 flat angles C4'-P-C4' energy: -100.132 flat angles P-C4'-P energy: -100.977 tors. eta vs tors. theta energy: -120.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1234.453595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.453595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.453595 (E_RNA) where: Base-Base interactions energy: -738.513 where: short stacking energy: -324.454 Base-Backbone interact. energy: -3.268 local terms energy: -492.672725 where: bonds (distance) C4'-P energy: -131.812 bonds (distance) P-C4' energy: -141.654 flat angles C4'-P-C4' energy: -111.028 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -53.576 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -661.968055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.968055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.968055 (E_RNA) where: Base-Base interactions energy: -272.445 where: short stacking energy: -174.850 Base-Backbone interact. energy: -1.485 local terms energy: -388.037510 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -105.615 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: 18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -678.635766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.635766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.635766 (E_RNA) where: Base-Base interactions energy: -279.602 where: short stacking energy: -189.253 Base-Backbone interact. energy: 3.177 local terms energy: -402.210679 where: bonds (distance) C4'-P energy: -121.380 bonds (distance) P-C4' energy: -139.723 flat angles C4'-P-C4' energy: -98.748 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: 10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2675.848760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.848760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.848760 (E_RNA) where: Base-Base interactions energy: -1843.172 where: short stacking energy: -767.186 Base-Backbone interact. energy: -4.074 local terms energy: -828.602667 where: bonds (distance) C4'-P energy: -167.992 bonds (distance) P-C4' energy: -126.986 flat angles C4'-P-C4' energy: -174.439 flat angles P-C4'-P energy: -108.731 tors. eta vs tors. theta energy: -250.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2594.878031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.878031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.878031 (E_RNA) where: Base-Base interactions energy: -1785.720 where: short stacking energy: -734.272 Base-Backbone interact. energy: -4.929 local terms energy: -804.228827 where: bonds (distance) C4'-P energy: -153.476 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -168.722 flat angles P-C4'-P energy: -101.552 tors. eta vs tors. theta energy: -228.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2303.106440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.106440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.106440 (E_RNA) where: Base-Base interactions energy: -1559.660 where: short stacking energy: -644.769 Base-Backbone interact. energy: -0.784 local terms energy: -742.662192 where: bonds (distance) C4'-P energy: -152.463 bonds (distance) P-C4' energy: -136.094 flat angles C4'-P-C4' energy: -161.730 flat angles P-C4'-P energy: -91.689 tors. eta vs tors. theta energy: -200.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2254.698165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.698165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.698165 (E_RNA) where: Base-Base interactions energy: -1514.756 where: short stacking energy: -635.182 Base-Backbone interact. energy: -3.952 local terms energy: -735.989966 where: bonds (distance) C4'-P energy: -143.648 bonds (distance) P-C4' energy: -145.197 flat angles C4'-P-C4' energy: -157.174 flat angles P-C4'-P energy: -100.813 tors. eta vs tors. theta energy: -189.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2235.017660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.017660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.017660 (E_RNA) where: Base-Base interactions energy: -1539.322 where: short stacking energy: -650.056 Base-Backbone interact. energy: -4.098 local terms energy: -691.597588 where: bonds (distance) C4'-P energy: -145.862 bonds (distance) P-C4' energy: -128.109 flat angles C4'-P-C4' energy: -150.159 flat angles P-C4'-P energy: -84.256 tors. eta vs tors. theta energy: -183.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1868.927750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.927750 (E_RNA) where: Base-Base interactions energy: -1210.279 where: short stacking energy: -505.860 Base-Backbone interact. energy: -5.538 local terms energy: -653.110563 where: bonds (distance) C4'-P energy: -133.351 bonds (distance) P-C4' energy: -142.746 flat angles C4'-P-C4' energy: -154.473 flat angles P-C4'-P energy: -72.051 tors. eta vs tors. theta energy: -150.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1607.863037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.863037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.863037 (E_RNA) where: Base-Base interactions energy: -1000.281 where: short stacking energy: -433.158 Base-Backbone interact. energy: 7.300 local terms energy: -614.882215 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -139.500 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -97.531 tors. eta vs tors. theta energy: -98.767 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: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1205.508315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.508315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.508315 (E_RNA) where: Base-Base interactions energy: -731.081 where: short stacking energy: -340.088 Base-Backbone interact. energy: 0.285 local terms energy: -474.711903 where: bonds (distance) C4'-P energy: -131.175 bonds (distance) P-C4' energy: -107.227 flat angles C4'-P-C4' energy: -138.772 flat angles P-C4'-P energy: -65.549 tors. eta vs tors. theta energy: -31.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -703.631707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.631707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.631707 (E_RNA) where: Base-Base interactions energy: -320.594 where: short stacking energy: -198.709 Base-Backbone interact. energy: 3.255 local terms energy: -386.292660 where: bonds (distance) C4'-P energy: -106.067 bonds (distance) P-C4' energy: -128.383 flat angles C4'-P-C4' energy: -103.629 flat angles P-C4'-P energy: -58.011 tors. eta vs tors. theta energy: 9.798 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: 388 Temperature: 1.350000 Total energy: -635.796970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.796970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.796970 (E_RNA) where: Base-Base interactions energy: -271.736 where: short stacking energy: -163.960 Base-Backbone interact. energy: -1.501 local terms energy: -362.559792 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -122.929 flat angles C4'-P-C4' energy: -105.650 flat angles P-C4'-P energy: -60.187 tors. eta vs tors. theta energy: 34.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2662.952498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.952498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.952498 (E_RNA) where: Base-Base interactions energy: -1830.138 where: short stacking energy: -768.633 Base-Backbone interact. energy: 2.176 local terms energy: -834.990860 where: bonds (distance) C4'-P energy: -156.815 bonds (distance) P-C4' energy: -141.039 flat angles C4'-P-C4' energy: -179.529 flat angles P-C4'-P energy: -114.562 tors. eta vs tors. theta energy: -243.046 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: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2576.728858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.728858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.728858 (E_RNA) where: Base-Base interactions energy: -1761.982 where: short stacking energy: -738.423 Base-Backbone interact. energy: -3.262 local terms energy: -811.485250 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -142.075 flat angles C4'-P-C4' energy: -175.039 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -221.230 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: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2352.289156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.289156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.289156 (E_RNA) where: Base-Base interactions energy: -1576.008 where: short stacking energy: -683.073 Base-Backbone interact. energy: -1.412 local terms energy: -774.869083 where: bonds (distance) C4'-P energy: -137.864 bonds (distance) P-C4' energy: -157.096 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -108.104 tors. eta vs tors. theta energy: -201.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2247.727596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.727596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.727596 (E_RNA) where: Base-Base interactions energy: -1512.901 where: short stacking energy: -629.189 Base-Backbone interact. energy: -0.271 local terms energy: -734.555995 where: bonds (distance) C4'-P energy: -145.991 bonds (distance) P-C4' energy: -149.661 flat angles C4'-P-C4' energy: -165.143 flat angles P-C4'-P energy: -78.557 tors. eta vs tors. theta energy: -195.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2207.927477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.927477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.927477 (E_RNA) where: Base-Base interactions energy: -1530.099 where: short stacking energy: -639.404 Base-Backbone interact. energy: 1.936 local terms energy: -679.764057 where: bonds (distance) C4'-P energy: -128.531 bonds (distance) P-C4' energy: -140.331 flat angles C4'-P-C4' energy: -140.329 flat angles P-C4'-P energy: -84.185 tors. eta vs tors. theta energy: -186.387 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: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1859.577806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.577806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.577806 (E_RNA) where: Base-Base interactions energy: -1225.618 where: short stacking energy: -554.357 Base-Backbone interact. energy: -2.832 local terms energy: -631.127368 where: bonds (distance) C4'-P energy: -118.662 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -152.001 flat angles P-C4'-P energy: -86.300 tors. eta vs tors. theta energy: -154.214 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: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1533.579604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.579604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.579604 (E_RNA) where: Base-Base interactions energy: -979.261 where: short stacking energy: -441.177 Base-Backbone interact. energy: -2.716 local terms energy: -551.602133 where: bonds (distance) C4'-P energy: -115.835 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -122.386 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -102.262 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: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1220.900017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.900017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.900017 (E_RNA) where: Base-Base interactions energy: -696.601 where: short stacking energy: -337.737 Base-Backbone interact. energy: 5.449 local terms energy: -529.748418 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -128.066 flat angles C4'-P-C4' energy: -137.416 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -48.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -732.602248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.602248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.602248 (E_RNA) where: Base-Base interactions energy: -310.273 where: short stacking energy: -181.485 Base-Backbone interact. energy: -1.346 local terms energy: -420.983766 where: bonds (distance) C4'-P energy: -111.262 bonds (distance) P-C4' energy: -140.597 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: 7.639 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: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -657.258404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.258404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.258404 (E_RNA) where: Base-Base interactions energy: -269.694 where: short stacking energy: -145.640 Base-Backbone interact. energy: -0.494 local terms energy: -387.070050 where: bonds (distance) C4'-P energy: -133.119 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -114.293 flat angles P-C4'-P energy: -39.853 tors. eta vs tors. theta energy: 34.963 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: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2666.913684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.913684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.913684 (E_RNA) where: Base-Base interactions energy: -1841.830 where: short stacking energy: -771.813 Base-Backbone interact. energy: 1.456 local terms energy: -826.540107 where: bonds (distance) C4'-P energy: -152.595 bonds (distance) P-C4' energy: -148.141 flat angles C4'-P-C4' energy: -172.346 flat angles P-C4'-P energy: -114.294 tors. eta vs tors. theta energy: -239.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2558.029374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.029374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.029374 (E_RNA) where: Base-Base interactions energy: -1755.067 where: short stacking energy: -735.971 Base-Backbone interact. energy: -4.688 local terms energy: -798.274538 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -175.091 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -229.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2380.630154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.630154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.630154 (E_RNA) where: Base-Base interactions energy: -1641.359 where: short stacking energy: -689.736 Base-Backbone interact. energy: -4.559 local terms energy: -734.712080 where: bonds (distance) C4'-P energy: -126.203 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -174.034 flat angles P-C4'-P energy: -104.146 tors. eta vs tors. theta energy: -197.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2292.746270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.746270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.746270 (E_RNA) where: Base-Base interactions energy: -1566.466 where: short stacking energy: -666.636 Base-Backbone interact. energy: 0.028 local terms energy: -726.307589 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -154.300 flat angles C4'-P-C4' energy: -161.779 flat angles P-C4'-P energy: -97.637 tors. eta vs tors. theta energy: -185.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2263.610731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.610731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.610731 (E_RNA) where: Base-Base interactions energy: -1579.317 where: short stacking energy: -638.060 Base-Backbone interact. energy: -1.946 local terms energy: -682.347231 where: bonds (distance) C4'-P energy: -136.398 bonds (distance) P-C4' energy: -120.082 flat angles C4'-P-C4' energy: -143.361 flat angles P-C4'-P energy: -94.283 tors. eta vs tors. theta energy: -188.223 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: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1831.402255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.402255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.402255 (E_RNA) where: Base-Base interactions energy: -1229.189 where: short stacking energy: -513.740 Base-Backbone interact. energy: 5.041 local terms energy: -607.253998 where: bonds (distance) C4'-P energy: -113.546 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -138.303 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -130.668 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: 390 Temperature: 1.200000 Total energy: -1546.912273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.912273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.912273 (E_RNA) where: Base-Base interactions energy: -999.599 where: short stacking energy: -431.321 Base-Backbone interact. energy: 8.784 local terms energy: -556.096976 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -121.352 flat angles C4'-P-C4' energy: -130.181 flat angles P-C4'-P energy: -83.181 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: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1260.910997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.910997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.910997 (E_RNA) where: Base-Base interactions energy: -756.167 where: short stacking energy: -339.897 Base-Backbone interact. energy: 9.353 local terms energy: -514.096802 where: bonds (distance) C4'-P energy: -121.339 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -127.459 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -67.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -749.488563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.488563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.488563 (E_RNA) where: Base-Base interactions energy: -353.663 where: short stacking energy: -226.539 Base-Backbone interact. energy: -0.454 local terms energy: -395.371899 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -114.084 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: 2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -656.200426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.200426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.200426 (E_RNA) where: Base-Base interactions energy: -287.071 where: short stacking energy: -201.379 Base-Backbone interact. energy: -2.169 local terms energy: -366.960187 where: bonds (distance) C4'-P energy: -122.270 bonds (distance) P-C4' energy: -128.015 flat angles C4'-P-C4' energy: -95.840 flat angles P-C4'-P energy: -40.697 tors. eta vs tors. theta energy: 19.862 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: 391 Temperature: 0.900000 Total energy: -2680.138908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.138908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.138908 (E_RNA) where: Base-Base interactions energy: -1849.767 where: short stacking energy: -762.637 Base-Backbone interact. energy: -5.103 local terms energy: -825.268216 where: bonds (distance) C4'-P energy: -150.395 bonds (distance) P-C4' energy: -143.922 flat angles C4'-P-C4' energy: -176.282 flat angles P-C4'-P energy: -122.353 tors. eta vs tors. theta energy: -232.316 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: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2565.691581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.691581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.691581 (E_RNA) where: Base-Base interactions energy: -1738.348 where: short stacking energy: -709.813 Base-Backbone interact. energy: -2.507 local terms energy: -824.836714 where: bonds (distance) C4'-P energy: -155.392 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -177.309 flat angles P-C4'-P energy: -110.759 tors. eta vs tors. theta energy: -220.145 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: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2387.566604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.566604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.566604 (E_RNA) where: Base-Base interactions energy: -1623.695 where: short stacking energy: -687.100 Base-Backbone interact. energy: -3.694 local terms energy: -760.178215 where: bonds (distance) C4'-P energy: -154.233 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -154.630 flat angles P-C4'-P energy: -117.242 tors. eta vs tors. theta energy: -197.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2245.339013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.339013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.339013 (E_RNA) where: Base-Base interactions energy: -1529.878 where: short stacking energy: -668.375 Base-Backbone interact. energy: 1.705 local terms energy: -717.166192 where: bonds (distance) C4'-P energy: -125.205 bonds (distance) P-C4' energy: -128.818 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -208.858 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: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2214.110203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.110203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.110203 (E_RNA) where: Base-Base interactions energy: -1503.884 where: short stacking energy: -635.402 Base-Backbone interact. energy: -1.689 local terms energy: -708.537744 where: bonds (distance) C4'-P energy: -137.755 bonds (distance) P-C4' energy: -133.399 flat angles C4'-P-C4' energy: -152.375 flat angles P-C4'-P energy: -101.016 tors. eta vs tors. theta energy: -183.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1936.644500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.644500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.644500 (E_RNA) where: Base-Base interactions energy: -1304.713 where: short stacking energy: -557.906 Base-Backbone interact. energy: -3.092 local terms energy: -628.839155 where: bonds (distance) C4'-P energy: -131.596 bonds (distance) P-C4' energy: -139.685 flat angles C4'-P-C4' energy: -134.283 flat angles P-C4'-P energy: -77.372 tors. eta vs tors. theta energy: -145.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1564.148580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.148580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.148580 (E_RNA) where: Base-Base interactions energy: -978.345 where: short stacking energy: -449.406 Base-Backbone interact. energy: -0.717 local terms energy: -585.086244 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -140.412 flat angles C4'-P-C4' energy: -128.499 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -106.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1288.772117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.772117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.772117 (E_RNA) where: Base-Base interactions energy: -767.844 where: short stacking energy: -351.752 Base-Backbone interact. energy: 3.393 local terms energy: -524.320685 where: bonds (distance) C4'-P energy: -131.534 bonds (distance) P-C4' energy: -135.515 flat angles C4'-P-C4' energy: -118.375 flat angles P-C4'-P energy: -84.695 tors. eta vs tors. theta energy: -54.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -782.439841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.439841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.439841 (E_RNA) where: Base-Base interactions energy: -381.630 where: short stacking energy: -213.983 Base-Backbone interact. energy: -1.355 local terms energy: -399.454584 where: bonds (distance) C4'-P energy: -128.969 bonds (distance) P-C4' energy: -144.502 flat angles C4'-P-C4' energy: -81.514 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: 10.591 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: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -623.436691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.436691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.436691 (E_RNA) where: Base-Base interactions energy: -240.845 where: short stacking energy: -174.511 Base-Backbone interact. energy: 0.264 local terms energy: -382.855178 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -132.745 flat angles C4'-P-C4' energy: -106.459 flat angles P-C4'-P energy: -51.696 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: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2621.803744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.803744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.803744 (E_RNA) where: Base-Base interactions energy: -1817.147 where: short stacking energy: -755.068 Base-Backbone interact. energy: -1.560 local terms energy: -803.096886 where: bonds (distance) C4'-P energy: -153.382 bonds (distance) P-C4' energy: -144.893 flat angles C4'-P-C4' energy: -174.993 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -219.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2538.763723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.763723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.763723 (E_RNA) where: Base-Base interactions energy: -1739.455 where: short stacking energy: -736.405 Base-Backbone interact. energy: -3.066 local terms energy: -796.242942 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -139.379 flat angles C4'-P-C4' energy: -174.121 flat angles P-C4'-P energy: -108.951 tors. eta vs tors. theta energy: -226.787 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: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2378.909721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.909721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.909721 (E_RNA) where: Base-Base interactions energy: -1617.196 where: short stacking energy: -666.042 Base-Backbone interact. energy: 2.477 local terms energy: -764.190621 where: bonds (distance) C4'-P energy: -141.589 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -175.151 flat angles P-C4'-P energy: -110.244 tors. eta vs tors. theta energy: -193.873 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: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2221.334580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.334580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.334580 (E_RNA) where: Base-Base interactions energy: -1489.351 where: short stacking energy: -630.143 Base-Backbone interact. energy: 0.154 local terms energy: -732.136804 where: bonds (distance) C4'-P energy: -138.876 bonds (distance) P-C4' energy: -135.495 flat angles C4'-P-C4' energy: -166.209 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -192.103 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2229.251605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.251605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.251605 (E_RNA) where: Base-Base interactions energy: -1546.039 where: short stacking energy: -633.667 Base-Backbone interact. energy: 1.703 local terms energy: -684.915822 where: bonds (distance) C4'-P energy: -129.264 bonds (distance) P-C4' energy: -112.627 flat angles C4'-P-C4' energy: -158.323 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -193.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1940.760383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.760383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.760383 (E_RNA) where: Base-Base interactions energy: -1307.793 where: short stacking energy: -562.370 Base-Backbone interact. energy: 0.436 local terms energy: -633.403845 where: bonds (distance) C4'-P energy: -115.950 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -159.760 flat angles P-C4'-P energy: -85.952 tors. eta vs tors. theta energy: -153.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1571.185837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.185837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.185837 (E_RNA) where: Base-Base interactions energy: -1017.651 where: short stacking energy: -481.644 Base-Backbone interact. energy: -5.198 local terms energy: -548.337045 where: bonds (distance) C4'-P energy: -121.987 bonds (distance) P-C4' energy: -121.045 flat angles C4'-P-C4' energy: -134.093 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -101.832 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: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1212.227031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.227031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.227031 (E_RNA) where: Base-Base interactions energy: -733.775 where: short stacking energy: -354.268 Base-Backbone interact. energy: -0.767 local terms energy: -477.684692 where: bonds (distance) C4'-P energy: -110.395 bonds (distance) P-C4' energy: -128.040 flat angles C4'-P-C4' energy: -121.567 flat angles P-C4'-P energy: -66.618 tors. eta vs tors. theta energy: -51.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -743.152801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.152801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.152801 (E_RNA) where: Base-Base interactions energy: -311.562 where: short stacking energy: -198.944 Base-Backbone interact. energy: 1.353 local terms energy: -432.944060 where: bonds (distance) C4'-P energy: -152.528 bonds (distance) P-C4' energy: -124.017 flat angles C4'-P-C4' energy: -121.852 flat angles P-C4'-P energy: -42.678 tors. eta vs tors. theta energy: 8.131 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: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -611.879689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.879689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.879689 (E_RNA) where: Base-Base interactions energy: -271.035 where: short stacking energy: -166.191 Base-Backbone interact. energy: -3.200 local terms energy: -337.644300 where: bonds (distance) C4'-P energy: -103.134 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -109.431 flat angles P-C4'-P energy: -44.091 tors. eta vs tors. theta energy: 46.413 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: 393 Temperature: 0.900000 Total energy: -2635.729380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.729380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.729380 (E_RNA) where: Base-Base interactions energy: -1816.811 where: short stacking energy: -756.751 Base-Backbone interact. energy: 1.770 local terms energy: -820.689007 where: bonds (distance) C4'-P energy: -145.829 bonds (distance) P-C4' energy: -147.116 flat angles C4'-P-C4' energy: -181.337 flat angles P-C4'-P energy: -120.958 tors. eta vs tors. theta energy: -225.449 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: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2534.681710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.681710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.681710 (E_RNA) where: Base-Base interactions energy: -1739.861 where: short stacking energy: -719.232 Base-Backbone interact. energy: -0.370 local terms energy: -794.450754 where: bonds (distance) C4'-P energy: -152.430 bonds (distance) P-C4' energy: -144.890 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -115.401 tors. eta vs tors. theta energy: -215.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2388.137351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.137351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.137351 (E_RNA) where: Base-Base interactions energy: -1647.952 where: short stacking energy: -680.513 Base-Backbone interact. energy: -5.258 local terms energy: -734.927320 where: bonds (distance) C4'-P energy: -139.919 bonds (distance) P-C4' energy: -153.027 flat angles C4'-P-C4' energy: -155.144 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -187.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2310.176141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.176141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.176141 (E_RNA) where: Base-Base interactions energy: -1568.257 where: short stacking energy: -657.823 Base-Backbone interact. energy: 0.902 local terms energy: -742.820796 where: bonds (distance) C4'-P energy: -142.076 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -163.433 flat angles P-C4'-P energy: -89.442 tors. eta vs tors. theta energy: -194.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2192.623672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.623672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.623672 (E_RNA) where: Base-Base interactions energy: -1523.095 where: short stacking energy: -635.631 Base-Backbone interact. energy: 0.792 local terms energy: -670.320927 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -148.032 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -171.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1910.232778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.232778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.232778 (E_RNA) where: Base-Base interactions energy: -1303.279 where: short stacking energy: -527.604 Base-Backbone interact. energy: -1.319 local terms energy: -605.635248 where: bonds (distance) C4'-P energy: -118.023 bonds (distance) P-C4' energy: -129.642 flat angles C4'-P-C4' energy: -133.246 flat angles P-C4'-P energy: -83.826 tors. eta vs tors. theta energy: -140.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1602.625356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.625356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.625356 (E_RNA) where: Base-Base interactions energy: -1025.850 where: short stacking energy: -457.783 Base-Backbone interact. energy: -3.201 local terms energy: -573.574432 where: bonds (distance) C4'-P energy: -121.342 bonds (distance) P-C4' energy: -133.574 flat angles C4'-P-C4' energy: -122.550 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: -109.005 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: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1235.318368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.318368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.318368 (E_RNA) where: Base-Base interactions energy: -758.847 where: short stacking energy: -370.362 Base-Backbone interact. energy: 2.222 local terms energy: -478.693768 where: bonds (distance) C4'-P energy: -104.490 bonds (distance) P-C4' energy: -116.688 flat angles C4'-P-C4' energy: -109.865 flat angles P-C4'-P energy: -68.012 tors. eta vs tors. theta energy: -79.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -721.208114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.208114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.208114 (E_RNA) where: Base-Base interactions energy: -304.982 where: short stacking energy: -182.324 Base-Backbone interact. energy: -0.966 local terms energy: -415.259852 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -124.498 flat angles C4'-P-C4' energy: -119.679 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: 12.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -638.626387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.626387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.626387 (E_RNA) where: Base-Base interactions energy: -263.595 where: short stacking energy: -181.470 Base-Backbone interact. energy: -0.646 local terms energy: -374.385537 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -134.289 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: 10.139 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: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2656.663559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.663559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.663559 (E_RNA) where: Base-Base interactions energy: -1813.535 where: short stacking energy: -758.844 Base-Backbone interact. energy: -1.649 local terms energy: -841.479866 where: bonds (distance) C4'-P energy: -154.165 bonds (distance) P-C4' energy: -160.856 flat angles C4'-P-C4' energy: -179.369 flat angles P-C4'-P energy: -113.104 tors. eta vs tors. theta energy: -233.986 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: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2548.383976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.383976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.383976 (E_RNA) where: Base-Base interactions energy: -1726.907 where: short stacking energy: -723.544 Base-Backbone interact. energy: -3.591 local terms energy: -817.885599 where: bonds (distance) C4'-P energy: -142.193 bonds (distance) P-C4' energy: -151.995 flat angles C4'-P-C4' energy: -170.726 flat angles P-C4'-P energy: -127.326 tors. eta vs tors. theta energy: -225.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2347.235068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.235068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.235068 (E_RNA) where: Base-Base interactions energy: -1622.308 where: short stacking energy: -655.120 Base-Backbone interact. energy: -1.868 local terms energy: -723.059039 where: bonds (distance) C4'-P energy: -146.365 bonds (distance) P-C4' energy: -133.390 flat angles C4'-P-C4' energy: -158.927 flat angles P-C4'-P energy: -99.346 tors. eta vs tors. theta energy: -185.030 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: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2337.990161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.990161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.990161 (E_RNA) where: Base-Base interactions energy: -1580.817 where: short stacking energy: -652.663 Base-Backbone interact. energy: -0.766 local terms energy: -756.407508 where: bonds (distance) C4'-P energy: -152.386 bonds (distance) P-C4' energy: -138.610 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -91.864 tors. eta vs tors. theta energy: -207.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2170.274809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.274809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.274809 (E_RNA) where: Base-Base interactions energy: -1479.364 where: short stacking energy: -618.139 Base-Backbone interact. energy: 2.167 local terms energy: -693.077507 where: bonds (distance) C4'-P energy: -131.025 bonds (distance) P-C4' energy: -131.183 flat angles C4'-P-C4' energy: -153.969 flat angles P-C4'-P energy: -88.103 tors. eta vs tors. theta energy: -188.797 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: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1917.635943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.635943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.635943 (E_RNA) where: Base-Base interactions energy: -1259.982 where: short stacking energy: -545.275 Base-Backbone interact. energy: -4.014 local terms energy: -653.639755 where: bonds (distance) C4'-P energy: -117.608 bonds (distance) P-C4' energy: -141.187 flat angles C4'-P-C4' energy: -155.502 flat angles P-C4'-P energy: -84.785 tors. eta vs tors. theta energy: -154.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1662.676620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.676620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.676620 (E_RNA) where: Base-Base interactions energy: -1089.938 where: short stacking energy: -456.603 Base-Backbone interact. energy: 4.249 local terms energy: -576.987558 where: bonds (distance) C4'-P energy: -143.153 bonds (distance) P-C4' energy: -112.334 flat angles C4'-P-C4' energy: -129.923 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -114.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1276.755319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.755319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.755319 (E_RNA) where: Base-Base interactions energy: -776.206 where: short stacking energy: -367.307 Base-Backbone interact. energy: -0.699 local terms energy: -499.850224 where: bonds (distance) C4'-P energy: -89.867 bonds (distance) P-C4' energy: -126.077 flat angles C4'-P-C4' energy: -136.917 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -68.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -807.757301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.757301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.757301 (E_RNA) where: Base-Base interactions energy: -398.951 where: short stacking energy: -239.288 Base-Backbone interact. energy: -3.162 local terms energy: -405.644514 where: bonds (distance) C4'-P energy: -135.032 bonds (distance) P-C4' energy: -114.025 flat angles C4'-P-C4' energy: -91.655 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: 2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -670.005540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.005540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.005540 (E_RNA) where: Base-Base interactions energy: -277.187 where: short stacking energy: -170.030 Base-Backbone interact. energy: 6.600 local terms energy: -399.419139 where: bonds (distance) C4'-P energy: -140.480 bonds (distance) P-C4' energy: -127.999 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -52.949 tors. eta vs tors. theta energy: 28.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2674.371634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.371634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.371634 (E_RNA) where: Base-Base interactions energy: -1839.166 where: short stacking energy: -782.645 Base-Backbone interact. energy: 2.643 local terms energy: -837.848969 where: bonds (distance) C4'-P energy: -147.479 bonds (distance) P-C4' energy: -150.527 flat angles C4'-P-C4' energy: -186.966 flat angles P-C4'-P energy: -121.467 tors. eta vs tors. theta energy: -231.410 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: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2591.403079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.403079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.403079 (E_RNA) where: Base-Base interactions energy: -1775.133 where: short stacking energy: -752.635 Base-Backbone interact. energy: -5.265 local terms energy: -811.004892 where: bonds (distance) C4'-P energy: -145.722 bonds (distance) P-C4' energy: -148.101 flat angles C4'-P-C4' energy: -184.195 flat angles P-C4'-P energy: -99.002 tors. eta vs tors. theta energy: -233.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2338.357212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.357212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.357212 (E_RNA) where: Base-Base interactions energy: -1601.508 where: short stacking energy: -646.756 Base-Backbone interact. energy: 1.091 local terms energy: -737.939899 where: bonds (distance) C4'-P energy: -147.827 bonds (distance) P-C4' energy: -141.156 flat angles C4'-P-C4' energy: -169.142 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -173.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2342.275434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.275434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.275434 (E_RNA) where: Base-Base interactions energy: -1611.507 where: short stacking energy: -681.278 Base-Backbone interact. energy: 0.421 local terms energy: -731.189878 where: bonds (distance) C4'-P energy: -141.153 bonds (distance) P-C4' energy: -136.857 flat angles C4'-P-C4' energy: -159.580 flat angles P-C4'-P energy: -89.186 tors. eta vs tors. theta energy: -204.414 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2147.236942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.236942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.236942 (E_RNA) where: Base-Base interactions energy: -1452.986 where: short stacking energy: -621.178 Base-Backbone interact. energy: -0.746 local terms energy: -693.504670 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -146.827 flat angles C4'-P-C4' energy: -158.146 flat angles P-C4'-P energy: -98.801 tors. eta vs tors. theta energy: -176.700 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: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1891.501031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.501031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.501031 (E_RNA) where: Base-Base interactions energy: -1226.946 where: short stacking energy: -551.533 Base-Backbone interact. energy: -3.182 local terms energy: -661.372785 where: bonds (distance) C4'-P energy: -115.199 bonds (distance) P-C4' energy: -156.319 flat angles C4'-P-C4' energy: -144.894 flat angles P-C4'-P energy: -88.259 tors. eta vs tors. theta energy: -156.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1576.693630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.693630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.693630 (E_RNA) where: Base-Base interactions energy: -1004.758 where: short stacking energy: -424.750 Base-Backbone interact. energy: -3.882 local terms energy: -568.054040 where: bonds (distance) C4'-P energy: -128.508 bonds (distance) P-C4' energy: -113.876 flat angles C4'-P-C4' energy: -142.911 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -95.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1309.816934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.816934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.816934 (E_RNA) where: Base-Base interactions energy: -826.190 where: short stacking energy: -394.909 Base-Backbone interact. energy: 6.148 local terms energy: -489.774908 where: bonds (distance) C4'-P energy: -122.558 bonds (distance) P-C4' energy: -120.711 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -71.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -783.804958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.804958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.804958 (E_RNA) where: Base-Base interactions energy: -375.542 where: short stacking energy: -219.080 Base-Backbone interact. energy: 1.960 local terms energy: -410.223049 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -133.710 flat angles C4'-P-C4' energy: -114.790 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: 0.874 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: 395 Temperature: 1.350000 Total energy: -641.554254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.554254 (E_RNA) where: Base-Base interactions energy: -253.008 where: short stacking energy: -181.023 Base-Backbone interact. energy: -4.537 local terms energy: -384.008983 where: bonds (distance) C4'-P energy: -114.013 bonds (distance) P-C4' energy: -129.838 flat angles C4'-P-C4' energy: -111.607 flat angles P-C4'-P energy: -64.438 tors. eta vs tors. theta energy: 35.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2650.891519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.891519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.891519 (E_RNA) where: Base-Base interactions energy: -1836.669 where: short stacking energy: -760.671 Base-Backbone interact. energy: -2.329 local terms energy: -811.893929 where: bonds (distance) C4'-P energy: -143.634 bonds (distance) P-C4' energy: -129.551 flat angles C4'-P-C4' energy: -181.368 flat angles P-C4'-P energy: -123.645 tors. eta vs tors. theta energy: -233.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2558.475041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.475041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.475041 (E_RNA) where: Base-Base interactions energy: -1748.281 where: short stacking energy: -746.129 Base-Backbone interact. energy: -4.458 local terms energy: -805.735637 where: bonds (distance) C4'-P energy: -137.450 bonds (distance) P-C4' energy: -161.461 flat angles C4'-P-C4' energy: -164.713 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -236.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2382.682676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.682676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.682676 (E_RNA) where: Base-Base interactions energy: -1634.377 where: short stacking energy: -691.269 Base-Backbone interact. energy: -3.258 local terms energy: -745.047983 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -130.212 flat angles C4'-P-C4' energy: -164.741 flat angles P-C4'-P energy: -112.525 tors. eta vs tors. theta energy: -201.511 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: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2329.115501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.115501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.115501 (E_RNA) where: Base-Base interactions energy: -1612.716 where: short stacking energy: -634.976 Base-Backbone interact. energy: -1.641 local terms energy: -714.758287 where: bonds (distance) C4'-P energy: -143.809 bonds (distance) P-C4' energy: -134.643 flat angles C4'-P-C4' energy: -150.622 flat angles P-C4'-P energy: -100.170 tors. eta vs tors. theta energy: -185.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2173.355397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.355397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.355397 (E_RNA) where: Base-Base interactions energy: -1502.157 where: short stacking energy: -622.741 Base-Backbone interact. energy: -0.774 local terms energy: -670.423940 where: bonds (distance) C4'-P energy: -121.307 bonds (distance) P-C4' energy: -123.598 flat angles C4'-P-C4' energy: -146.092 flat angles P-C4'-P energy: -97.024 tors. eta vs tors. theta energy: -182.403 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: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1985.122391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.122391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.122391 (E_RNA) where: Base-Base interactions energy: -1306.466 where: short stacking energy: -544.613 Base-Backbone interact. energy: -1.309 local terms energy: -677.348059 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -129.719 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -84.651 tors. eta vs tors. theta energy: -166.928 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: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1548.283630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.283630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.283630 (E_RNA) where: Base-Base interactions energy: -955.371 where: short stacking energy: -434.457 Base-Backbone interact. energy: -1.319 local terms energy: -591.593621 where: bonds (distance) C4'-P energy: -127.272 bonds (distance) P-C4' energy: -136.382 flat angles C4'-P-C4' energy: -124.381 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -115.164 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: 8, replica: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1315.630596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.630596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.630596 (E_RNA) where: Base-Base interactions energy: -793.749 where: short stacking energy: -360.947 Base-Backbone interact. energy: -1.099 local terms energy: -520.782982 where: bonds (distance) C4'-P energy: -119.067 bonds (distance) P-C4' energy: -146.014 flat angles C4'-P-C4' energy: -116.961 flat angles P-C4'-P energy: -53.859 tors. eta vs tors. theta energy: -84.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -826.658916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.658916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.658916 (E_RNA) where: Base-Base interactions energy: -433.457 where: short stacking energy: -240.275 Base-Backbone interact. energy: 5.612 local terms energy: -398.813626 where: bonds (distance) C4'-P energy: -126.025 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -49.123 tors. eta vs tors. theta energy: -6.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -669.224688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.224688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.224688 (E_RNA) where: Base-Base interactions energy: -240.755 where: short stacking energy: -166.374 Base-Backbone interact. energy: 6.649 local terms energy: -435.118510 where: bonds (distance) C4'-P energy: -131.699 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -115.629 flat angles P-C4'-P energy: -53.053 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: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2669.479456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.479456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.479456 (E_RNA) where: Base-Base interactions energy: -1838.714 where: short stacking energy: -775.965 Base-Backbone interact. energy: 6.305 local terms energy: -837.070246 where: bonds (distance) C4'-P energy: -160.663 bonds (distance) P-C4' energy: -133.811 flat angles C4'-P-C4' energy: -175.438 flat angles P-C4'-P energy: -125.388 tors. eta vs tors. theta energy: -241.770 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: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2526.037125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.037125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.037125 (E_RNA) where: Base-Base interactions energy: -1725.992 where: short stacking energy: -754.582 Base-Backbone interact. energy: -3.483 local terms energy: -796.562468 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -143.697 flat angles C4'-P-C4' energy: -176.159 flat angles P-C4'-P energy: -114.575 tors. eta vs tors. theta energy: -221.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2459.125866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.125866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.125866 (E_RNA) where: Base-Base interactions energy: -1705.046 where: short stacking energy: -708.056 Base-Backbone interact. energy: -0.769 local terms energy: -753.311224 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -128.158 flat angles C4'-P-C4' energy: -179.418 flat angles P-C4'-P energy: -108.280 tors. eta vs tors. theta energy: -207.470 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2396.470772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.470772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.470772 (E_RNA) where: Base-Base interactions energy: -1632.862 where: short stacking energy: -643.192 Base-Backbone interact. energy: -2.829 local terms energy: -760.779765 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -125.531 tors. eta vs tors. theta energy: -189.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2203.182332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.182332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.182332 (E_RNA) where: Base-Base interactions energy: -1473.207 where: short stacking energy: -595.239 Base-Backbone interact. energy: -4.327 local terms energy: -725.647656 where: bonds (distance) C4'-P energy: -132.442 bonds (distance) P-C4' energy: -167.241 flat angles C4'-P-C4' energy: -156.129 flat angles P-C4'-P energy: -103.511 tors. eta vs tors. theta energy: -166.325 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: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1971.771386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.771386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.771386 (E_RNA) where: Base-Base interactions energy: -1312.741 where: short stacking energy: -565.368 Base-Backbone interact. energy: -3.005 local terms energy: -656.025149 where: bonds (distance) C4'-P energy: -118.719 bonds (distance) P-C4' energy: -136.887 flat angles C4'-P-C4' energy: -147.752 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -170.534 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: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1478.120903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.120903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.120903 (E_RNA) where: Base-Base interactions energy: -888.242 where: short stacking energy: -397.845 Base-Backbone interact. energy: -2.153 local terms energy: -587.725475 where: bonds (distance) C4'-P energy: -137.754 bonds (distance) P-C4' energy: -137.285 flat angles C4'-P-C4' energy: -151.634 flat angles P-C4'-P energy: -82.747 tors. eta vs tors. theta energy: -78.306 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: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1332.063320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.063320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.063320 (E_RNA) where: Base-Base interactions energy: -844.319 where: short stacking energy: -375.179 Base-Backbone interact. energy: -0.244 local terms energy: -487.500186 where: bonds (distance) C4'-P energy: -125.645 bonds (distance) P-C4' energy: -122.369 flat angles C4'-P-C4' energy: -114.016 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -53.601 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: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -822.938153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.938153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.938153 (E_RNA) where: Base-Base interactions energy: -374.289 where: short stacking energy: -172.812 Base-Backbone interact. energy: 5.202 local terms energy: -453.851034 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -151.994 flat angles C4'-P-C4' energy: -122.289 flat angles P-C4'-P energy: -70.002 tors. eta vs tors. theta energy: 14.385 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: 397 Temperature: 1.350000 Total energy: -682.584179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.584179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.584179 (E_RNA) where: Base-Base interactions energy: -304.366 where: short stacking energy: -207.411 Base-Backbone interact. energy: 3.585 local terms energy: -381.803027 where: bonds (distance) C4'-P energy: -128.181 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -67.170 flat angles P-C4'-P energy: -66.332 tors. eta vs tors. theta energy: 3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2666.398113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.398113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.398113 (E_RNA) where: Base-Base interactions energy: -1820.136 where: short stacking energy: -784.929 Base-Backbone interact. energy: -2.158 local terms energy: -844.104581 where: bonds (distance) C4'-P energy: -147.807 bonds (distance) P-C4' energy: -152.282 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -119.220 tors. eta vs tors. theta energy: -242.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2601.430906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.430906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.430906 (E_RNA) where: Base-Base interactions energy: -1790.265 where: short stacking energy: -751.660 Base-Backbone interact. energy: -0.254 local terms energy: -810.911535 where: bonds (distance) C4'-P energy: -152.957 bonds (distance) P-C4' energy: -147.434 flat angles C4'-P-C4' energy: -178.120 flat angles P-C4'-P energy: -111.294 tors. eta vs tors. theta energy: -221.107 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2414.670088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.670088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.670088 (E_RNA) where: Base-Base interactions energy: -1662.897 where: short stacking energy: -715.303 Base-Backbone interact. energy: 1.566 local terms energy: -753.338957 where: bonds (distance) C4'-P energy: -155.768 bonds (distance) P-C4' energy: -125.912 flat angles C4'-P-C4' energy: -151.840 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -214.343 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: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2315.454904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.454904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.454904 (E_RNA) where: Base-Base interactions energy: -1587.840 where: short stacking energy: -628.456 Base-Backbone interact. energy: 3.054 local terms energy: -730.668603 where: bonds (distance) C4'-P energy: -151.969 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -148.481 flat angles P-C4'-P energy: -102.272 tors. eta vs tors. theta energy: -193.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2161.740337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.740337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.740337 (E_RNA) where: Base-Base interactions energy: -1445.712 where: short stacking energy: -604.230 Base-Backbone interact. energy: -0.080 local terms energy: -715.948349 where: bonds (distance) C4'-P energy: -155.777 bonds (distance) P-C4' energy: -132.415 flat angles C4'-P-C4' energy: -151.329 flat angles P-C4'-P energy: -102.108 tors. eta vs tors. theta energy: -174.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2019.439117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.439117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.439117 (E_RNA) where: Base-Base interactions energy: -1354.195 where: short stacking energy: -559.755 Base-Backbone interact. energy: 1.526 local terms energy: -666.770116 where: bonds (distance) C4'-P energy: -129.570 bonds (distance) P-C4' energy: -136.639 flat angles C4'-P-C4' energy: -144.319 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -158.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1472.069467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.069467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.069467 (E_RNA) where: Base-Base interactions energy: -919.825 where: short stacking energy: -398.673 Base-Backbone interact. energy: 0.730 local terms energy: -552.974909 where: bonds (distance) C4'-P energy: -107.236 bonds (distance) P-C4' energy: -144.852 flat angles C4'-P-C4' energy: -132.081 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -91.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1243.521793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.521793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.521793 (E_RNA) where: Base-Base interactions energy: -745.351 where: short stacking energy: -334.142 Base-Backbone interact. energy: -0.627 local terms energy: -497.544420 where: bonds (distance) C4'-P energy: -117.080 bonds (distance) P-C4' energy: -146.208 flat angles C4'-P-C4' energy: -115.488 flat angles P-C4'-P energy: -58.849 tors. eta vs tors. theta energy: -59.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -833.552974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.552974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.552974 (E_RNA) where: Base-Base interactions energy: -407.964 where: short stacking energy: -220.233 Base-Backbone interact. energy: -0.918 local terms energy: -424.670688 where: bonds (distance) C4'-P energy: -94.270 bonds (distance) P-C4' energy: -121.085 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -80.070 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -631.460225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.460225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.460225 (E_RNA) where: Base-Base interactions energy: -292.633 where: short stacking energy: -181.006 Base-Backbone interact. energy: 1.387 local terms energy: -340.213868 where: bonds (distance) C4'-P energy: -110.562 bonds (distance) P-C4' energy: -120.218 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: 38.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2651.785076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.785076 (E_RNA) where: Base-Base interactions energy: -1821.947 where: short stacking energy: -747.435 Base-Backbone interact. energy: -1.722 local terms energy: -828.116107 where: bonds (distance) C4'-P energy: -148.719 bonds (distance) P-C4' energy: -159.960 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -114.518 tors. eta vs tors. theta energy: -237.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2582.793827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.793827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.793827 (E_RNA) where: Base-Base interactions energy: -1777.244 where: short stacking energy: -757.301 Base-Backbone interact. energy: 2.185 local terms energy: -807.735084 where: bonds (distance) C4'-P energy: -149.100 bonds (distance) P-C4' energy: -145.708 flat angles C4'-P-C4' energy: -172.210 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -236.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2463.949022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.949022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.949022 (E_RNA) where: Base-Base interactions energy: -1690.471 where: short stacking energy: -736.633 Base-Backbone interact. energy: -1.787 local terms energy: -771.690111 where: bonds (distance) C4'-P energy: -131.165 bonds (distance) P-C4' energy: -143.278 flat angles C4'-P-C4' energy: -168.394 flat angles P-C4'-P energy: -106.183 tors. eta vs tors. theta energy: -222.669 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: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2310.989093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.989093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.989093 (E_RNA) where: Base-Base interactions energy: -1590.971 where: short stacking energy: -632.409 Base-Backbone interact. energy: -5.045 local terms energy: -714.973189 where: bonds (distance) C4'-P energy: -131.196 bonds (distance) P-C4' energy: -161.640 flat angles C4'-P-C4' energy: -151.554 flat angles P-C4'-P energy: -82.430 tors. eta vs tors. theta energy: -188.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2133.424780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.424780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.424780 (E_RNA) where: Base-Base interactions energy: -1415.575 where: short stacking energy: -583.797 Base-Backbone interact. energy: -3.706 local terms energy: -714.144289 where: bonds (distance) C4'-P energy: -136.093 bonds (distance) P-C4' energy: -150.762 flat angles C4'-P-C4' energy: -153.260 flat angles P-C4'-P energy: -94.636 tors. eta vs tors. theta energy: -179.393 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: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1927.573785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.573785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.573785 (E_RNA) where: Base-Base interactions energy: -1281.379 where: short stacking energy: -561.998 Base-Backbone interact. energy: -3.723 local terms energy: -642.471676 where: bonds (distance) C4'-P energy: -123.450 bonds (distance) P-C4' energy: -150.063 flat angles C4'-P-C4' energy: -139.341 flat angles P-C4'-P energy: -71.905 tors. eta vs tors. theta energy: -157.712 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: 399 Temperature: 1.200000 Total energy: -1500.098277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.098277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.098277 (E_RNA) where: Base-Base interactions energy: -906.116 where: short stacking energy: -424.673 Base-Backbone interact. energy: 1.451 local terms energy: -595.433444 where: bonds (distance) C4'-P energy: -143.119 bonds (distance) P-C4' energy: -137.812 flat angles C4'-P-C4' energy: -145.167 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -94.025 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: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1235.527865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.527865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.527865 (E_RNA) where: Base-Base interactions energy: -757.761 where: short stacking energy: -374.844 Base-Backbone interact. energy: 0.831 local terms energy: -478.597443 where: bonds (distance) C4'-P energy: -119.663 bonds (distance) P-C4' energy: -130.532 flat angles C4'-P-C4' energy: -105.732 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -56.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -857.604003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.604003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.604003 (E_RNA) where: Base-Base interactions energy: -432.103 where: short stacking energy: -239.063 Base-Backbone interact. energy: 0.227 local terms energy: -425.727432 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -17.946 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: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -636.863987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.863987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.863987 (E_RNA) where: Base-Base interactions energy: -262.368 where: short stacking energy: -152.344 Base-Backbone interact. energy: 2.695 local terms energy: -377.191605 where: bonds (distance) C4'-P energy: -94.224 bonds (distance) P-C4' energy: -128.984 flat angles C4'-P-C4' energy: -116.225 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: 34.963 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: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2632.188232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.188232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.188232 (E_RNA) where: Base-Base interactions energy: -1814.460 where: short stacking energy: -785.651 Base-Backbone interact. energy: 0.609 local terms energy: -818.337768 where: bonds (distance) C4'-P energy: -139.198 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -165.261 flat angles P-C4'-P energy: -125.622 tors. eta vs tors. theta energy: -239.497 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: 2, replica: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2568.017829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.017829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.017829 (E_RNA) where: Base-Base interactions energy: -1780.011 where: short stacking energy: -744.136 Base-Backbone interact. energy: -0.162 local terms energy: -787.844946 where: bonds (distance) C4'-P energy: -148.972 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -168.436 flat angles P-C4'-P energy: -114.629 tors. eta vs tors. theta energy: -218.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2456.360749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.360749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.360749 (E_RNA) where: Base-Base interactions energy: -1676.297 where: short stacking energy: -721.154 Base-Backbone interact. energy: -2.459 local terms energy: -777.605152 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -137.605 flat angles C4'-P-C4' energy: -170.923 flat angles P-C4'-P energy: -103.693 tors. eta vs tors. theta energy: -222.536 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: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2258.216082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.216082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.216082 (E_RNA) where: Base-Base interactions energy: -1559.410 where: short stacking energy: -651.036 Base-Backbone interact. energy: -3.037 local terms energy: -695.769256 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -137.586 flat angles C4'-P-C4' energy: -154.447 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -169.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2194.290749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.290749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.290749 (E_RNA) where: Base-Base interactions energy: -1508.780 where: short stacking energy: -635.649 Base-Backbone interact. energy: -0.667 local terms energy: -684.843743 where: bonds (distance) C4'-P energy: -134.388 bonds (distance) P-C4' energy: -120.228 flat angles C4'-P-C4' energy: -134.663 flat angles P-C4'-P energy: -108.592 tors. eta vs tors. theta energy: -186.972 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: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2019.915677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.915677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.915677 (E_RNA) where: Base-Base interactions energy: -1340.005 where: short stacking energy: -577.084 Base-Backbone interact. energy: -6.861 local terms energy: -673.049377 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -130.571 flat angles C4'-P-C4' energy: -147.869 flat angles P-C4'-P energy: -113.734 tors. eta vs tors. theta energy: -158.308 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1522.883971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.883971 (E_RNA) where: Base-Base interactions energy: -979.420 where: short stacking energy: -434.415 Base-Backbone interact. energy: 8.095 local terms energy: -551.558279 where: bonds (distance) C4'-P energy: -114.072 bonds (distance) P-C4' energy: -134.336 flat angles C4'-P-C4' energy: -123.116 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -97.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1224.396428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.396428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.396428 (E_RNA) where: Base-Base interactions energy: -727.029 where: short stacking energy: -355.326 Base-Backbone interact. energy: -5.556 local terms energy: -491.811779 where: bonds (distance) C4'-P energy: -103.523 bonds (distance) P-C4' energy: -135.006 flat angles C4'-P-C4' energy: -131.431 flat angles P-C4'-P energy: -70.739 tors. eta vs tors. theta energy: -51.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -870.402836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.402836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.402836 (E_RNA) where: Base-Base interactions energy: -428.692 where: short stacking energy: -220.062 Base-Backbone interact. energy: -0.593 local terms energy: -441.118265 where: bonds (distance) C4'-P energy: -123.373 bonds (distance) P-C4' energy: -137.267 flat angles C4'-P-C4' energy: -133.640 flat angles P-C4'-P energy: -49.766 tors. eta vs tors. theta energy: 2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -624.193377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.193377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.193377 (E_RNA) where: Base-Base interactions energy: -261.145 where: short stacking energy: -149.385 Base-Backbone interact. energy: 1.722 local terms energy: -364.770525 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -113.599 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -46.158 tors. eta vs tors. theta energy: 30.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2602.248784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.248784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.248784 (E_RNA) where: Base-Base interactions energy: -1795.869 where: short stacking energy: -739.633 Base-Backbone interact. energy: -1.216 local terms energy: -805.163831 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -155.278 flat angles C4'-P-C4' energy: -172.677 flat angles P-C4'-P energy: -119.405 tors. eta vs tors. theta energy: -214.981 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: 2, replica: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2590.053578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.053578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.053578 (E_RNA) where: Base-Base interactions energy: -1774.094 where: short stacking energy: -737.558 Base-Backbone interact. energy: -3.361 local terms energy: -812.598485 where: bonds (distance) C4'-P energy: -147.171 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -165.367 flat angles P-C4'-P energy: -114.470 tors. eta vs tors. theta energy: -237.021 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: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2472.712975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.712975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.712975 (E_RNA) where: Base-Base interactions energy: -1710.682 where: short stacking energy: -693.184 Base-Backbone interact. energy: -1.400 local terms energy: -760.631005 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -165.834 flat angles P-C4'-P energy: -113.410 tors. eta vs tors. theta energy: -208.103 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: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2267.621748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.621748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.621748 (E_RNA) where: Base-Base interactions energy: -1554.316 where: short stacking energy: -655.700 Base-Backbone interact. energy: -0.929 local terms energy: -712.377399 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -145.341 flat angles P-C4'-P energy: -106.343 tors. eta vs tors. theta energy: -191.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2176.276642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.276642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.276642 (E_RNA) where: Base-Base interactions energy: -1512.772 where: short stacking energy: -598.308 Base-Backbone interact. energy: -4.329 local terms energy: -659.175375 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -142.458 flat angles C4'-P-C4' energy: -137.614 flat angles P-C4'-P energy: -81.244 tors. eta vs tors. theta energy: -175.348 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: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1927.401087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.401087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.401087 (E_RNA) where: Base-Base interactions energy: -1260.456 where: short stacking energy: -552.633 Base-Backbone interact. energy: 0.683 local terms energy: -667.627597 where: bonds (distance) C4'-P energy: -125.100 bonds (distance) P-C4' energy: -129.510 flat angles C4'-P-C4' energy: -152.453 flat angles P-C4'-P energy: -95.427 tors. eta vs tors. theta energy: -165.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1585.991975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.991975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.991975 (E_RNA) where: Base-Base interactions energy: -1000.796 where: short stacking energy: -453.775 Base-Backbone interact. energy: -1.441 local terms energy: -583.754784 where: bonds (distance) C4'-P energy: -118.707 bonds (distance) P-C4' energy: -135.139 flat angles C4'-P-C4' energy: -134.413 flat angles P-C4'-P energy: -76.760 tors. eta vs tors. theta energy: -118.735 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: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1333.360284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.360284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.360284 (E_RNA) where: Base-Base interactions energy: -856.098 where: short stacking energy: -384.102 Base-Backbone interact. energy: 0.312 local terms energy: -477.574200 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -115.246 flat angles C4'-P-C4' energy: -117.467 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -59.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -801.382031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.382031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.382031 (E_RNA) where: Base-Base interactions energy: -394.579 where: short stacking energy: -206.547 Base-Backbone interact. energy: -0.397 local terms energy: -406.405807 where: bonds (distance) C4'-P energy: -132.791 bonds (distance) P-C4' energy: -115.887 flat angles C4'-P-C4' energy: -110.504 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: 25.920 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: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -627.698120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.698120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.698120 (E_RNA) where: Base-Base interactions energy: -238.961 where: short stacking energy: -180.685 Base-Backbone interact. energy: 4.713 local terms energy: -393.449979 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -138.856 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -54.658 tors. eta vs tors. theta energy: 22.460 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: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2654.623680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.623680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.623680 (E_RNA) where: Base-Base interactions energy: -1816.119 where: short stacking energy: -753.767 Base-Backbone interact. energy: -4.123 local terms energy: -834.382119 where: bonds (distance) C4'-P energy: -155.177 bonds (distance) P-C4' energy: -161.419 flat angles C4'-P-C4' energy: -165.300 flat angles P-C4'-P energy: -123.789 tors. eta vs tors. theta energy: -228.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2568.964688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.964688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.964688 (E_RNA) where: Base-Base interactions energy: -1757.233 where: short stacking energy: -704.552 Base-Backbone interact. energy: -2.146 local terms energy: -809.584987 where: bonds (distance) C4'-P energy: -140.719 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -173.258 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -228.584 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: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2437.986809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.986809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.986809 (E_RNA) where: Base-Base interactions energy: -1660.446 where: short stacking energy: -690.944 Base-Backbone interact. energy: -2.666 local terms energy: -774.875132 where: bonds (distance) C4'-P energy: -144.445 bonds (distance) P-C4' energy: -150.333 flat angles C4'-P-C4' energy: -170.199 flat angles P-C4'-P energy: -95.616 tors. eta vs tors. theta energy: -214.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2316.514684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.514684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.514684 (E_RNA) where: Base-Base interactions energy: -1569.214 where: short stacking energy: -671.642 Base-Backbone interact. energy: -0.705 local terms energy: -746.594970 where: bonds (distance) C4'-P energy: -135.928 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -168.455 flat angles P-C4'-P energy: -99.494 tors. eta vs tors. theta energy: -196.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2164.521728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.521728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.521728 (E_RNA) where: Base-Base interactions energy: -1523.459 where: short stacking energy: -598.487 Base-Backbone interact. energy: 2.561 local terms energy: -643.624087 where: bonds (distance) C4'-P energy: -117.851 bonds (distance) P-C4' energy: -116.341 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -162.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1901.349807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.349807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.349807 (E_RNA) where: Base-Base interactions energy: -1262.784 where: short stacking energy: -542.167 Base-Backbone interact. energy: -0.887 local terms energy: -637.679492 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -120.336 flat angles C4'-P-C4' energy: -153.099 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -154.833 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: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1622.452855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.452855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.452855 (E_RNA) where: Base-Base interactions energy: -1029.260 where: short stacking energy: -470.769 Base-Backbone interact. energy: 0.063 local terms energy: -593.256320 where: bonds (distance) C4'-P energy: -127.776 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -138.350 flat angles P-C4'-P energy: -104.281 tors. eta vs tors. theta energy: -114.703 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: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1311.893237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.893237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.893237 (E_RNA) where: Base-Base interactions energy: -808.875 where: short stacking energy: -365.345 Base-Backbone interact. energy: 2.157 local terms energy: -505.175239 where: bonds (distance) C4'-P energy: -128.500 bonds (distance) P-C4' energy: -127.047 flat angles C4'-P-C4' energy: -113.134 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -69.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -880.826984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.826984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.826984 (E_RNA) where: Base-Base interactions energy: -465.315 where: short stacking energy: -249.751 Base-Backbone interact. energy: -0.054 local terms energy: -415.457917 where: bonds (distance) C4'-P energy: -124.814 bonds (distance) P-C4' energy: -133.718 flat angles C4'-P-C4' energy: -101.660 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: -19.796 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: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -660.619545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.619545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.619545 (E_RNA) where: Base-Base interactions energy: -264.677 where: short stacking energy: -188.637 Base-Backbone interact. energy: -0.105 local terms energy: -395.837567 where: bonds (distance) C4'-P energy: -114.461 bonds (distance) P-C4' energy: -128.078 flat angles C4'-P-C4' energy: -101.416 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: 7.762 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: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2653.699791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.699791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.699791 (E_RNA) where: Base-Base interactions energy: -1821.943 where: short stacking energy: -777.933 Base-Backbone interact. energy: -4.509 local terms energy: -827.247728 where: bonds (distance) C4'-P energy: -151.076 bonds (distance) P-C4' energy: -151.054 flat angles C4'-P-C4' energy: -176.585 flat angles P-C4'-P energy: -115.643 tors. eta vs tors. theta energy: -232.890 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: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2594.703984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.703984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.703984 (E_RNA) where: Base-Base interactions energy: -1798.996 where: short stacking energy: -721.743 Base-Backbone interact. energy: -3.315 local terms energy: -792.392399 where: bonds (distance) C4'-P energy: -142.128 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -154.644 flat angles P-C4'-P energy: -116.241 tors. eta vs tors. theta energy: -234.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2402.295176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.295176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.295176 (E_RNA) where: Base-Base interactions energy: -1637.788 where: short stacking energy: -698.862 Base-Backbone interact. energy: 5.750 local terms energy: -770.256932 where: bonds (distance) C4'-P energy: -154.301 bonds (distance) P-C4' energy: -136.561 flat angles C4'-P-C4' energy: -164.476 flat angles P-C4'-P energy: -107.677 tors. eta vs tors. theta energy: -207.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2262.944024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.944024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.944024 (E_RNA) where: Base-Base interactions energy: -1566.782 where: short stacking energy: -636.118 Base-Backbone interact. energy: 0.957 local terms energy: -697.118760 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -152.013 flat angles P-C4'-P energy: -108.158 tors. eta vs tors. theta energy: -186.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2153.821711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.821711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.821711 (E_RNA) where: Base-Base interactions energy: -1446.816 where: short stacking energy: -591.479 Base-Backbone interact. energy: -4.361 local terms energy: -702.644733 where: bonds (distance) C4'-P energy: -148.061 bonds (distance) P-C4' energy: -127.752 flat angles C4'-P-C4' energy: -154.566 flat angles P-C4'-P energy: -106.316 tors. eta vs tors. theta energy: -165.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1933.348709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.348709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.348709 (E_RNA) where: Base-Base interactions energy: -1318.477 where: short stacking energy: -553.870 Base-Backbone interact. energy: 3.698 local terms energy: -618.569274 where: bonds (distance) C4'-P energy: -114.621 bonds (distance) P-C4' energy: -132.648 flat angles C4'-P-C4' energy: -139.293 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -153.409 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: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1612.902139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.902139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.902139 (E_RNA) where: Base-Base interactions energy: -1000.147 where: short stacking energy: -456.395 Base-Backbone interact. energy: -1.326 local terms energy: -611.429388 where: bonds (distance) C4'-P energy: -141.795 bonds (distance) P-C4' energy: -138.864 flat angles C4'-P-C4' energy: -136.787 flat angles P-C4'-P energy: -81.515 tors. eta vs tors. theta energy: -112.469 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: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1300.088936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.088936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.088936 (E_RNA) where: Base-Base interactions energy: -790.430 where: short stacking energy: -357.294 Base-Backbone interact. energy: -0.504 local terms energy: -509.155395 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -124.578 flat angles C4'-P-C4' energy: -128.408 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -69.187 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: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -904.027484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.027484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.027484 (E_RNA) where: Base-Base interactions energy: -436.384 where: short stacking energy: -233.637 Base-Backbone interact. energy: 3.661 local terms energy: -471.304142 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -129.544 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -649.966106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.966106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.966106 (E_RNA) where: Base-Base interactions energy: -258.576 where: short stacking energy: -163.080 Base-Backbone interact. energy: -0.366 local terms energy: -391.023996 where: bonds (distance) C4'-P energy: -118.930 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -112.053 flat angles P-C4'-P energy: -52.740 tors. eta vs tors. theta energy: 19.593 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: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2665.962446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.962446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.962446 (E_RNA) where: Base-Base interactions energy: -1829.572 where: short stacking energy: -776.842 Base-Backbone interact. energy: -3.449 local terms energy: -832.941296 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -162.624 flat angles C4'-P-C4' energy: -178.406 flat angles P-C4'-P energy: -104.472 tors. eta vs tors. theta energy: -240.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2591.974260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.974260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.974260 (E_RNA) where: Base-Base interactions energy: -1803.615 where: short stacking energy: -745.635 Base-Backbone interact. energy: -5.076 local terms energy: -783.284082 where: bonds (distance) C4'-P energy: -139.454 bonds (distance) P-C4' energy: -125.098 flat angles C4'-P-C4' energy: -171.107 flat angles P-C4'-P energy: -114.124 tors. eta vs tors. theta energy: -233.502 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: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2380.063881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.063881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.063881 (E_RNA) where: Base-Base interactions energy: -1626.651 where: short stacking energy: -700.970 Base-Backbone interact. energy: -3.359 local terms energy: -750.054576 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -164.747 flat angles P-C4'-P energy: -97.603 tors. eta vs tors. theta energy: -210.668 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: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2295.061328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.061328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.061328 (E_RNA) where: Base-Base interactions energy: -1563.009 where: short stacking energy: -651.617 Base-Backbone interact. energy: -3.010 local terms energy: -729.042612 where: bonds (distance) C4'-P energy: -121.489 bonds (distance) P-C4' energy: -138.660 flat angles C4'-P-C4' energy: -167.477 flat angles P-C4'-P energy: -114.118 tors. eta vs tors. theta energy: -187.298 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: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2154.079133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.079133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.079133 (E_RNA) where: Base-Base interactions energy: -1460.886 where: short stacking energy: -632.369 Base-Backbone interact. energy: -5.217 local terms energy: -687.975899 where: bonds (distance) C4'-P energy: -140.795 bonds (distance) P-C4' energy: -139.388 flat angles C4'-P-C4' energy: -151.654 flat angles P-C4'-P energy: -83.498 tors. eta vs tors. theta energy: -172.641 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: 3 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1920.315862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.315862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.315862 (E_RNA) where: Base-Base interactions energy: -1286.914 where: short stacking energy: -537.513 Base-Backbone interact. energy: -0.484 local terms energy: -632.917782 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -116.152 flat angles C4'-P-C4' energy: -143.856 flat angles P-C4'-P energy: -98.876 tors. eta vs tors. theta energy: -138.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1618.167901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.167901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.167901 (E_RNA) where: Base-Base interactions energy: -1022.413 where: short stacking energy: -431.902 Base-Backbone interact. energy: -2.776 local terms energy: -592.978907 where: bonds (distance) C4'-P energy: -130.960 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -128.289 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -94.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1269.610872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.610872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.610872 (E_RNA) where: Base-Base interactions energy: -757.789 where: short stacking energy: -365.957 Base-Backbone interact. energy: -2.004 local terms energy: -509.817570 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -143.377 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -77.910 tors. eta vs tors. theta energy: -59.860 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: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -876.634409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.634409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.634409 (E_RNA) where: Base-Base interactions energy: -452.690 where: short stacking energy: -242.935 Base-Backbone interact. energy: -1.346 local terms energy: -422.598209 where: bonds (distance) C4'-P energy: -135.285 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -111.782 flat angles P-C4'-P energy: -62.079 tors. eta vs tors. theta energy: 2.071 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: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -691.824103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.824103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.824103 (E_RNA) where: Base-Base interactions energy: -305.803 where: short stacking energy: -161.405 Base-Backbone interact. energy: 3.210 local terms energy: -389.230711 where: bonds (distance) C4'-P energy: -127.817 bonds (distance) P-C4' energy: -116.590 flat angles C4'-P-C4' energy: -109.927 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: 21.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2650.157673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.157673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.157673 (E_RNA) where: Base-Base interactions energy: -1801.766 where: short stacking energy: -768.200 Base-Backbone interact. energy: -1.932 local terms energy: -846.459735 where: bonds (distance) C4'-P energy: -148.598 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -174.563 flat angles P-C4'-P energy: -124.628 tors. eta vs tors. theta energy: -240.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2596.909026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.909026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.909026 (E_RNA) where: Base-Base interactions energy: -1808.503 where: short stacking energy: -733.844 Base-Backbone interact. energy: -5.693 local terms energy: -782.713154 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -140.449 flat angles C4'-P-C4' energy: -161.046 flat angles P-C4'-P energy: -120.631 tors. eta vs tors. theta energy: -218.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2402.715908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.715908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.715908 (E_RNA) where: Base-Base interactions energy: -1646.448 where: short stacking energy: -708.517 Base-Backbone interact. energy: -2.660 local terms energy: -753.608189 where: bonds (distance) C4'-P energy: -151.049 bonds (distance) P-C4' energy: -128.575 flat angles C4'-P-C4' energy: -160.170 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -208.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2297.130837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.130837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.130837 (E_RNA) where: Base-Base interactions energy: -1548.326 where: short stacking energy: -636.267 Base-Backbone interact. energy: -0.642 local terms energy: -748.162467 where: bonds (distance) C4'-P energy: -132.390 bonds (distance) P-C4' energy: -156.870 flat angles C4'-P-C4' energy: -161.177 flat angles P-C4'-P energy: -104.262 tors. eta vs tors. theta energy: -193.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2160.520786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.520786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.520786 (E_RNA) where: Base-Base interactions energy: -1507.255 where: short stacking energy: -622.069 Base-Backbone interact. energy: -6.664 local terms energy: -646.601645 where: bonds (distance) C4'-P energy: -137.494 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -137.221 flat angles P-C4'-P energy: -81.281 tors. eta vs tors. theta energy: -171.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1937.027713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.027713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.027713 (E_RNA) where: Base-Base interactions energy: -1292.948 where: short stacking energy: -573.746 Base-Backbone interact. energy: -1.821 local terms energy: -642.258553 where: bonds (distance) C4'-P energy: -146.662 bonds (distance) P-C4' energy: -118.012 flat angles C4'-P-C4' energy: -124.659 flat angles P-C4'-P energy: -95.103 tors. eta vs tors. theta energy: -157.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1553.736973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.736973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.736973 (E_RNA) where: Base-Base interactions energy: -940.204 where: short stacking energy: -416.221 Base-Backbone interact. energy: -1.921 local terms energy: -611.611208 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -151.420 flat angles C4'-P-C4' energy: -141.308 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: -102.115 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: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1280.378343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.378343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.378343 (E_RNA) where: Base-Base interactions energy: -755.258 where: short stacking energy: -354.645 Base-Backbone interact. energy: -0.294 local terms energy: -524.826363 where: bonds (distance) C4'-P energy: -114.825 bonds (distance) P-C4' energy: -127.981 flat angles C4'-P-C4' energy: -135.351 flat angles P-C4'-P energy: -82.286 tors. eta vs tors. theta energy: -64.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -901.115364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.115364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.115364 (E_RNA) where: Base-Base interactions energy: -476.595 where: short stacking energy: -260.330 Base-Backbone interact. energy: -2.666 local terms energy: -421.854188 where: bonds (distance) C4'-P energy: -128.890 bonds (distance) P-C4' energy: -117.456 flat angles C4'-P-C4' energy: -103.493 flat angles P-C4'-P energy: -60.657 tors. eta vs tors. theta energy: -11.359 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: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -702.498766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.498766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.498766 (E_RNA) where: Base-Base interactions energy: -311.941 where: short stacking energy: -178.326 Base-Backbone interact. energy: -2.002 local terms energy: -388.555374 where: bonds (distance) C4'-P energy: -132.594 bonds (distance) P-C4' energy: -118.182 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -50.700 tors. eta vs tors. theta energy: 24.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2625.999825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.999825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.999825 (E_RNA) where: Base-Base interactions energy: -1809.040 where: short stacking energy: -789.749 Base-Backbone interact. energy: -4.235 local terms energy: -812.725026 where: bonds (distance) C4'-P energy: -149.515 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -172.348 flat angles P-C4'-P energy: -105.388 tors. eta vs tors. theta energy: -238.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2566.855290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.855290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.855290 (E_RNA) where: Base-Base interactions energy: -1786.155 where: short stacking energy: -725.262 Base-Backbone interact. energy: -1.665 local terms energy: -779.035403 where: bonds (distance) C4'-P energy: -143.531 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -175.832 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -220.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2384.536596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.536596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.536596 (E_RNA) where: Base-Base interactions energy: -1633.952 where: short stacking energy: -708.317 Base-Backbone interact. energy: -0.517 local terms energy: -750.067034 where: bonds (distance) C4'-P energy: -149.754 bonds (distance) P-C4' energy: -118.039 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -108.295 tors. eta vs tors. theta energy: -207.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2263.012946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.012946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.012946 (E_RNA) where: Base-Base interactions energy: -1537.765 where: short stacking energy: -646.720 Base-Backbone interact. energy: -2.502 local terms energy: -722.746312 where: bonds (distance) C4'-P energy: -141.677 bonds (distance) P-C4' energy: -130.559 flat angles C4'-P-C4' energy: -152.661 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -198.790 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: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2179.054670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.054670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.054670 (E_RNA) where: Base-Base interactions energy: -1494.152 where: short stacking energy: -643.459 Base-Backbone interact. energy: -6.691 local terms energy: -678.210843 where: bonds (distance) C4'-P energy: -124.829 bonds (distance) P-C4' energy: -142.632 flat angles C4'-P-C4' energy: -145.681 flat angles P-C4'-P energy: -77.924 tors. eta vs tors. theta energy: -187.146 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: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1948.531223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.531223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.531223 (E_RNA) where: Base-Base interactions energy: -1307.056 where: short stacking energy: -562.973 Base-Backbone interact. energy: -1.645 local terms energy: -639.830678 where: bonds (distance) C4'-P energy: -127.806 bonds (distance) P-C4' energy: -137.347 flat angles C4'-P-C4' energy: -133.596 flat angles P-C4'-P energy: -87.169 tors. eta vs tors. theta energy: -153.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1604.004421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.004421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.004421 (E_RNA) where: Base-Base interactions energy: -1063.326 where: short stacking energy: -448.336 Base-Backbone interact. energy: 0.718 local terms energy: -541.396770 where: bonds (distance) C4'-P energy: -123.490 bonds (distance) P-C4' energy: -122.210 flat angles C4'-P-C4' energy: -117.180 flat angles P-C4'-P energy: -67.703 tors. eta vs tors. theta energy: -110.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1288.786165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.786165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.786165 (E_RNA) where: Base-Base interactions energy: -771.607 where: short stacking energy: -371.556 Base-Backbone interact. energy: 0.649 local terms energy: -517.828207 where: bonds (distance) C4'-P energy: -122.161 bonds (distance) P-C4' energy: -122.666 flat angles C4'-P-C4' energy: -124.800 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -72.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -714.720941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.720941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.720941 (E_RNA) where: Base-Base interactions energy: -319.791 where: short stacking energy: -198.271 Base-Backbone interact. energy: -1.082 local terms energy: -393.847870 where: bonds (distance) C4'-P energy: -108.120 bonds (distance) P-C4' energy: -132.060 flat angles C4'-P-C4' energy: -113.092 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: 3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -869.212354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.212354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.212354 (E_RNA) where: Base-Base interactions energy: -434.615 where: short stacking energy: -238.219 Base-Backbone interact. energy: 5.511 local terms energy: -440.108712 where: bonds (distance) C4'-P energy: -112.776 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -113.769 flat angles P-C4'-P energy: -73.503 tors. eta vs tors. theta energy: -0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2659.607488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.607488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.607488 (E_RNA) where: Base-Base interactions energy: -1791.406 where: short stacking energy: -769.811 Base-Backbone interact. energy: -7.759 local terms energy: -860.442039 where: bonds (distance) C4'-P energy: -164.175 bonds (distance) P-C4' energy: -161.196 flat angles C4'-P-C4' energy: -177.842 flat angles P-C4'-P energy: -118.487 tors. eta vs tors. theta energy: -238.743 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: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2584.732831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.732831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.732831 (E_RNA) where: Base-Base interactions energy: -1795.482 where: short stacking energy: -754.547 Base-Backbone interact. energy: -3.274 local terms energy: -785.977196 where: bonds (distance) C4'-P energy: -150.657 bonds (distance) P-C4' energy: -136.126 flat angles C4'-P-C4' energy: -162.264 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -224.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2388.880559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.880559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.880559 (E_RNA) where: Base-Base interactions energy: -1645.512 where: short stacking energy: -677.028 Base-Backbone interact. energy: -1.274 local terms energy: -742.094691 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -146.844 flat angles C4'-P-C4' energy: -159.584 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -195.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2296.186596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.186596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.186596 (E_RNA) where: Base-Base interactions energy: -1564.391 where: short stacking energy: -693.212 Base-Backbone interact. energy: -0.862 local terms energy: -730.933986 where: bonds (distance) C4'-P energy: -134.351 bonds (distance) P-C4' energy: -130.777 flat angles C4'-P-C4' energy: -157.108 flat angles P-C4'-P energy: -99.288 tors. eta vs tors. theta energy: -209.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2150.945586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.945586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.945586 (E_RNA) where: Base-Base interactions energy: -1457.531 where: short stacking energy: -611.290 Base-Backbone interact. energy: -1.322 local terms energy: -692.092246 where: bonds (distance) C4'-P energy: -138.821 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -137.737 flat angles P-C4'-P energy: -97.162 tors. eta vs tors. theta energy: -171.246 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: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1897.200788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.200788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.200788 (E_RNA) where: Base-Base interactions energy: -1236.635 where: short stacking energy: -513.899 Base-Backbone interact. energy: -2.827 local terms energy: -657.739188 where: bonds (distance) C4'-P energy: -139.139 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -161.216 flat angles P-C4'-P energy: -99.413 tors. eta vs tors. theta energy: -118.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1590.188333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.188333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.188333 (E_RNA) where: Base-Base interactions energy: -1022.301 where: short stacking energy: -440.893 Base-Backbone interact. energy: -1.451 local terms energy: -566.436694 where: bonds (distance) C4'-P energy: -137.065 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -122.697 flat angles P-C4'-P energy: -88.232 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: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1308.438573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.438573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.438573 (E_RNA) where: Base-Base interactions energy: -789.059 where: short stacking energy: -348.752 Base-Backbone interact. energy: -1.369 local terms energy: -518.011151 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -121.549 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -48.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -702.615146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.615146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.615146 (E_RNA) where: Base-Base interactions energy: -313.547 where: short stacking energy: -190.229 Base-Backbone interact. energy: 0.956 local terms energy: -390.024296 where: bonds (distance) C4'-P energy: -133.316 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -114.838 flat angles P-C4'-P energy: -51.954 tors. eta vs tors. theta energy: 25.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -754.157717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.157717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.157717 (E_RNA) where: Base-Base interactions energy: -372.975 where: short stacking energy: -234.320 Base-Backbone interact. energy: 4.248 local terms energy: -385.431067 where: bonds (distance) C4'-P energy: -100.075 bonds (distance) P-C4' energy: -116.000 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -78.529 tors. eta vs tors. theta energy: -0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2647.082511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.082511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.082511 (E_RNA) where: Base-Base interactions energy: -1793.606 where: short stacking energy: -744.330 Base-Backbone interact. energy: -5.590 local terms energy: -847.886753 where: bonds (distance) C4'-P energy: -157.301 bonds (distance) P-C4' energy: -160.265 flat angles C4'-P-C4' energy: -174.154 flat angles P-C4'-P energy: -119.895 tors. eta vs tors. theta energy: -236.272 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: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2586.083283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.083283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.083283 (E_RNA) where: Base-Base interactions energy: -1768.011 where: short stacking energy: -728.836 Base-Backbone interact. energy: -3.751 local terms energy: -814.321046 where: bonds (distance) C4'-P energy: -149.207 bonds (distance) P-C4' energy: -150.265 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -229.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2407.897336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.897336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.897336 (E_RNA) where: Base-Base interactions energy: -1648.153 where: short stacking energy: -718.751 Base-Backbone interact. energy: -0.871 local terms energy: -758.873504 where: bonds (distance) C4'-P energy: -138.430 bonds (distance) P-C4' energy: -142.818 flat angles C4'-P-C4' energy: -159.673 flat angles P-C4'-P energy: -112.406 tors. eta vs tors. theta energy: -205.547 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: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2246.666013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.666013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.666013 (E_RNA) where: Base-Base interactions energy: -1518.482 where: short stacking energy: -641.618 Base-Backbone interact. energy: -0.692 local terms energy: -727.492316 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -136.780 flat angles C4'-P-C4' energy: -167.884 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -183.229 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: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2081.320708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.320708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.320708 (E_RNA) where: Base-Base interactions energy: -1393.554 where: short stacking energy: -585.309 Base-Backbone interact. energy: -2.296 local terms energy: -685.470187 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -145.154 flat angles C4'-P-C4' energy: -151.863 flat angles P-C4'-P energy: -88.444 tors. eta vs tors. theta energy: -162.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1877.585379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.585379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.585379 (E_RNA) where: Base-Base interactions energy: -1267.124 where: short stacking energy: -528.993 Base-Backbone interact. energy: 1.791 local terms energy: -612.252578 where: bonds (distance) C4'-P energy: -131.723 bonds (distance) P-C4' energy: -140.801 flat angles C4'-P-C4' energy: -135.017 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -120.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1638.940833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.940833 (E_RNA) where: Base-Base interactions energy: -1029.925 where: short stacking energy: -458.744 Base-Backbone interact. energy: 1.532 local terms energy: -610.548097 where: bonds (distance) C4'-P energy: -138.298 bonds (distance) P-C4' energy: -129.473 flat angles C4'-P-C4' energy: -145.808 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: -111.169 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: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1371.839710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.839710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.839710 (E_RNA) where: Base-Base interactions energy: -850.703 where: short stacking energy: -394.491 Base-Backbone interact. energy: 0.751 local terms energy: -521.887719 where: bonds (distance) C4'-P energy: -118.779 bonds (distance) P-C4' energy: -124.410 flat angles C4'-P-C4' energy: -113.093 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -86.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -740.386856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.386856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.386856 (E_RNA) where: Base-Base interactions energy: -342.948 where: short stacking energy: -205.636 Base-Backbone interact. energy: -1.004 local terms energy: -396.434346 where: bonds (distance) C4'-P energy: -116.458 bonds (distance) P-C4' energy: -123.483 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: 4.603 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: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -625.993910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.993910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.993910 (E_RNA) where: Base-Base interactions energy: -220.856 where: short stacking energy: -173.227 Base-Backbone interact. energy: -3.401 local terms energy: -401.737261 where: bonds (distance) C4'-P energy: -111.213 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -117.158 flat angles P-C4'-P energy: -54.296 tors. eta vs tors. theta energy: 9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2665.219962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.219962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.219962 (E_RNA) where: Base-Base interactions energy: -1859.791 where: short stacking energy: -766.531 Base-Backbone interact. energy: -4.973 local terms energy: -800.455312 where: bonds (distance) C4'-P energy: -138.120 bonds (distance) P-C4' energy: -161.211 flat angles C4'-P-C4' energy: -155.668 flat angles P-C4'-P energy: -112.400 tors. eta vs tors. theta energy: -233.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2577.614229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.614229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.614229 (E_RNA) where: Base-Base interactions energy: -1785.766 where: short stacking energy: -780.759 Base-Backbone interact. energy: -3.975 local terms energy: -787.872603 where: bonds (distance) C4'-P energy: -137.950 bonds (distance) P-C4' energy: -154.933 flat angles C4'-P-C4' energy: -167.331 flat angles P-C4'-P energy: -100.466 tors. eta vs tors. theta energy: -227.193 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: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2368.383443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.383443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.383443 (E_RNA) where: Base-Base interactions energy: -1626.045 where: short stacking energy: -675.463 Base-Backbone interact. energy: -1.559 local terms energy: -740.779324 where: bonds (distance) C4'-P energy: -141.035 bonds (distance) P-C4' energy: -137.707 flat angles C4'-P-C4' energy: -155.004 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -197.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2220.875016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.875016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.875016 (E_RNA) where: Base-Base interactions energy: -1507.256 where: short stacking energy: -640.969 Base-Backbone interact. energy: -2.261 local terms energy: -711.357447 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -131.585 flat angles C4'-P-C4' energy: -152.490 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -193.765 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: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2114.528166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.528166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.528166 (E_RNA) where: Base-Base interactions energy: -1448.450 where: short stacking energy: -605.652 Base-Backbone interact. energy: -2.529 local terms energy: -663.549604 where: bonds (distance) C4'-P energy: -152.524 bonds (distance) P-C4' energy: -131.663 flat angles C4'-P-C4' energy: -134.740 flat angles P-C4'-P energy: -85.826 tors. eta vs tors. theta energy: -158.797 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: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1970.486152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.486152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.486152 (E_RNA) where: Base-Base interactions energy: -1311.851 where: short stacking energy: -559.604 Base-Backbone interact. energy: -2.727 local terms energy: -655.908447 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -135.151 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -87.749 tors. eta vs tors. theta energy: -153.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1662.669030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.669030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.669030 (E_RNA) where: Base-Base interactions energy: -1084.804 where: short stacking energy: -484.386 Base-Backbone interact. energy: 0.480 local terms energy: -578.344753 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -137.809 flat angles P-C4'-P energy: -65.910 tors. eta vs tors. theta energy: -122.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1294.513234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.513234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.513234 (E_RNA) where: Base-Base interactions energy: -774.519 where: short stacking energy: -327.848 Base-Backbone interact. energy: -2.445 local terms energy: -517.549548 where: bonds (distance) C4'-P energy: -121.841 bonds (distance) P-C4' energy: -126.561 flat angles C4'-P-C4' energy: -130.658 flat angles P-C4'-P energy: -77.884 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: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -774.658502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.658502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.658502 (E_RNA) where: Base-Base interactions energy: -353.630 where: short stacking energy: -204.487 Base-Backbone interact. energy: -0.055 local terms energy: -420.972953 where: bonds (distance) C4'-P energy: -98.270 bonds (distance) P-C4' energy: -143.216 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: 23.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -604.572620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.572620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.572620 (E_RNA) where: Base-Base interactions energy: -257.449 where: short stacking energy: -158.181 Base-Backbone interact. energy: 4.261 local terms energy: -351.384841 where: bonds (distance) C4'-P energy: -124.716 bonds (distance) P-C4' energy: -116.888 flat angles C4'-P-C4' energy: -112.687 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: 55.653 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2702.783922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.783922 (E_RNA) where: Base-Base interactions energy: -1848.908 where: short stacking energy: -785.742 Base-Backbone interact. energy: -3.126 local terms energy: -850.750196 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -187.956 flat angles P-C4'-P energy: -120.182 tors. eta vs tors. theta energy: -248.702 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: 410 Temperature: 0.950000 Total energy: -2586.233190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.233190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.233190 (E_RNA) where: Base-Base interactions energy: -1792.375 where: short stacking energy: -728.640 Base-Backbone interact. energy: -2.338 local terms energy: -791.520800 where: bonds (distance) C4'-P energy: -139.497 bonds (distance) P-C4' energy: -147.775 flat angles C4'-P-C4' energy: -176.023 flat angles P-C4'-P energy: -99.832 tors. eta vs tors. theta energy: -228.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2386.073271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.073271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.073271 (E_RNA) where: Base-Base interactions energy: -1631.100 where: short stacking energy: -680.737 Base-Backbone interact. energy: -0.390 local terms energy: -754.583462 where: bonds (distance) C4'-P energy: -130.392 bonds (distance) P-C4' energy: -151.564 flat angles C4'-P-C4' energy: -183.964 flat angles P-C4'-P energy: -97.822 tors. eta vs tors. theta energy: -190.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2238.945533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.945533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.945533 (E_RNA) where: Base-Base interactions energy: -1503.666 where: short stacking energy: -636.623 Base-Backbone interact. energy: 7.550 local terms energy: -742.829124 where: bonds (distance) C4'-P energy: -141.162 bonds (distance) P-C4' energy: -133.220 flat angles C4'-P-C4' energy: -160.176 flat angles P-C4'-P energy: -120.194 tors. eta vs tors. theta energy: -188.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2122.613981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.613981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.613981 (E_RNA) where: Base-Base interactions energy: -1440.912 where: short stacking energy: -606.505 Base-Backbone interact. energy: 2.185 local terms energy: -683.887360 where: bonds (distance) C4'-P energy: -138.460 bonds (distance) P-C4' energy: -144.515 flat angles C4'-P-C4' energy: -139.086 flat angles P-C4'-P energy: -87.586 tors. eta vs tors. theta energy: -174.242 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: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1988.241515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.241515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.241515 (E_RNA) where: Base-Base interactions energy: -1356.625 where: short stacking energy: -576.831 Base-Backbone interact. energy: -2.695 local terms energy: -628.921702 where: bonds (distance) C4'-P energy: -112.252 bonds (distance) P-C4' energy: -132.202 flat angles C4'-P-C4' energy: -148.578 flat angles P-C4'-P energy: -85.418 tors. eta vs tors. theta energy: -150.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1657.791065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.791065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.791065 (E_RNA) where: Base-Base interactions energy: -1073.582 where: short stacking energy: -473.138 Base-Backbone interact. energy: -3.247 local terms energy: -580.961669 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -118.847 flat angles C4'-P-C4' energy: -133.624 flat angles P-C4'-P energy: -79.489 tors. eta vs tors. theta energy: -110.096 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: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1367.040889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.040889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.040889 (E_RNA) where: Base-Base interactions energy: -838.278 where: short stacking energy: -372.739 Base-Backbone interact. energy: -3.311 local terms energy: -525.452415 where: bonds (distance) C4'-P energy: -121.499 bonds (distance) P-C4' energy: -134.427 flat angles C4'-P-C4' energy: -112.403 flat angles P-C4'-P energy: -81.446 tors. eta vs tors. theta energy: -75.677 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: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -760.067943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.067943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.067943 (E_RNA) where: Base-Base interactions energy: -362.082 where: short stacking energy: -217.851 Base-Backbone interact. energy: 1.177 local terms energy: -399.162402 where: bonds (distance) C4'-P energy: -123.051 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: 9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -574.826909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.826909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.826909 (E_RNA) where: Base-Base interactions energy: -192.312 where: short stacking energy: -129.556 Base-Backbone interact. energy: -1.711 local terms energy: -380.803307 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -145.442 flat angles C4'-P-C4' energy: -106.013 flat angles P-C4'-P energy: -42.395 tors. eta vs tors. theta energy: 43.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2703.634139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.634139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.634139 (E_RNA) where: Base-Base interactions energy: -1868.539 where: short stacking energy: -787.991 Base-Backbone interact. energy: -0.425 local terms energy: -834.669841 where: bonds (distance) C4'-P energy: -155.269 bonds (distance) P-C4' energy: -147.280 flat angles C4'-P-C4' energy: -174.428 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -246.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2569.607757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.607757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.607757 (E_RNA) where: Base-Base interactions energy: -1778.719 where: short stacking energy: -742.168 Base-Backbone interact. energy: -3.299 local terms energy: -787.590116 where: bonds (distance) C4'-P energy: -135.892 bonds (distance) P-C4' energy: -137.518 flat angles C4'-P-C4' energy: -165.075 flat angles P-C4'-P energy: -114.433 tors. eta vs tors. theta energy: -234.671 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: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2379.841561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.841561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.841561 (E_RNA) where: Base-Base interactions energy: -1641.823 where: short stacking energy: -683.836 Base-Backbone interact. energy: 0.910 local terms energy: -738.928477 where: bonds (distance) C4'-P energy: -143.974 bonds (distance) P-C4' energy: -145.708 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -202.902 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: 411 Temperature: 1.050000 Total energy: -2278.028097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.028097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.028097 (E_RNA) where: Base-Base interactions energy: -1552.856 where: short stacking energy: -699.583 Base-Backbone interact. energy: 1.397 local terms energy: -726.568940 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -152.547 flat angles C4'-P-C4' energy: -162.129 flat angles P-C4'-P energy: -82.149 tors. eta vs tors. theta energy: -198.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2102.842416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.842416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.842416 (E_RNA) where: Base-Base interactions energy: -1418.770 where: short stacking energy: -597.389 Base-Backbone interact. energy: -2.256 local terms energy: -681.816767 where: bonds (distance) C4'-P energy: -150.512 bonds (distance) P-C4' energy: -144.957 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -81.938 tors. eta vs tors. theta energy: -161.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1986.136594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.136594 (E_RNA) where: Base-Base interactions energy: -1345.293 where: short stacking energy: -599.702 Base-Backbone interact. energy: -4.197 local terms energy: -636.646563 where: bonds (distance) C4'-P energy: -129.101 bonds (distance) P-C4' energy: -128.244 flat angles C4'-P-C4' energy: -150.056 flat angles P-C4'-P energy: -67.403 tors. eta vs tors. theta energy: -161.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1621.735380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.735380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.735380 (E_RNA) where: Base-Base interactions energy: -1071.580 where: short stacking energy: -442.905 Base-Backbone interact. energy: 3.741 local terms energy: -553.896385 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -138.423 flat angles P-C4'-P energy: -69.195 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: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1354.301801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.301801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.301801 (E_RNA) where: Base-Base interactions energy: -797.768 where: short stacking energy: -353.482 Base-Backbone interact. energy: -0.166 local terms energy: -556.367224 where: bonds (distance) C4'-P energy: -115.464 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -148.776 flat angles P-C4'-P energy: -75.705 tors. eta vs tors. theta energy: -69.943 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: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -763.634816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.634816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.634816 (E_RNA) where: Base-Base interactions energy: -364.176 where: short stacking energy: -196.288 Base-Backbone interact. energy: 1.026 local terms energy: -400.484931 where: bonds (distance) C4'-P energy: -117.326 bonds (distance) P-C4' energy: -131.731 flat angles C4'-P-C4' energy: -118.440 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: 21.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -551.899675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.899675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.899675 (E_RNA) where: Base-Base interactions energy: -205.039 where: short stacking energy: -139.304 Base-Backbone interact. energy: -2.728 local terms energy: -344.132751 where: bonds (distance) C4'-P energy: -104.130 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -99.016 flat angles P-C4'-P energy: -43.077 tors. eta vs tors. theta energy: 37.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2672.785850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.785850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.785850 (E_RNA) where: Base-Base interactions energy: -1861.335 where: short stacking energy: -773.892 Base-Backbone interact. energy: -6.947 local terms energy: -804.503882 where: bonds (distance) C4'-P energy: -137.385 bonds (distance) P-C4' energy: -160.173 flat angles C4'-P-C4' energy: -171.987 flat angles P-C4'-P energy: -104.180 tors. eta vs tors. theta energy: -230.779 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: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2593.372385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.372385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.372385 (E_RNA) where: Base-Base interactions energy: -1799.437 where: short stacking energy: -751.810 Base-Backbone interact. energy: -2.689 local terms energy: -791.246088 where: bonds (distance) C4'-P energy: -150.060 bonds (distance) P-C4' energy: -144.071 flat angles C4'-P-C4' energy: -169.921 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -223.908 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: 412 Temperature: 1.000000 Total energy: -2385.376252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.376252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.376252 (E_RNA) where: Base-Base interactions energy: -1636.607 where: short stacking energy: -713.015 Base-Backbone interact. energy: -0.522 local terms energy: -748.247015 where: bonds (distance) C4'-P energy: -132.341 bonds (distance) P-C4' energy: -156.318 flat angles C4'-P-C4' energy: -157.303 flat angles P-C4'-P energy: -98.432 tors. eta vs tors. theta energy: -203.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2227.031082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.031082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.031082 (E_RNA) where: Base-Base interactions energy: -1478.692 where: short stacking energy: -629.497 Base-Backbone interact. energy: 1.121 local terms energy: -749.459626 where: bonds (distance) C4'-P energy: -149.804 bonds (distance) P-C4' energy: -141.773 flat angles C4'-P-C4' energy: -162.676 flat angles P-C4'-P energy: -107.730 tors. eta vs tors. theta energy: -187.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2112.175938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.175938 (E_RNA) where: Base-Base interactions energy: -1459.528 where: short stacking energy: -625.765 Base-Backbone interact. energy: 1.118 local terms energy: -653.765163 where: bonds (distance) C4'-P energy: -138.771 bonds (distance) P-C4' energy: -111.945 flat angles C4'-P-C4' energy: -157.365 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -166.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1982.231418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.231418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.231418 (E_RNA) where: Base-Base interactions energy: -1324.122 where: short stacking energy: -576.916 Base-Backbone interact. energy: 2.655 local terms energy: -660.765054 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -149.408 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -166.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1668.036080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.036080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.036080 (E_RNA) where: Base-Base interactions energy: -1099.264 where: short stacking energy: -469.769 Base-Backbone interact. energy: -4.763 local terms energy: -564.009155 where: bonds (distance) C4'-P energy: -121.401 bonds (distance) P-C4' energy: -137.895 flat angles C4'-P-C4' energy: -117.661 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: -116.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1239.320844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.320844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.320844 (E_RNA) where: Base-Base interactions energy: -735.531 where: short stacking energy: -342.391 Base-Backbone interact. energy: -3.257 local terms energy: -500.533134 where: bonds (distance) C4'-P energy: -125.576 bonds (distance) P-C4' energy: -118.953 flat angles C4'-P-C4' energy: -129.361 flat angles P-C4'-P energy: -70.028 tors. eta vs tors. theta energy: -56.615 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: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -720.500355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.500355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.500355 (E_RNA) where: Base-Base interactions energy: -326.542 where: short stacking energy: -207.602 Base-Backbone interact. energy: 5.341 local terms energy: -399.299618 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: 32.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -595.005290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.005290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.005290 (E_RNA) where: Base-Base interactions energy: -192.877 where: short stacking energy: -161.270 Base-Backbone interact. energy: -2.392 local terms energy: -399.735971 where: bonds (distance) C4'-P energy: -119.601 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -115.324 flat angles P-C4'-P energy: -67.983 tors. eta vs tors. theta energy: 29.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2690.416851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.416851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.416851 (E_RNA) where: Base-Base interactions energy: -1851.436 where: short stacking energy: -747.544 Base-Backbone interact. energy: -6.717 local terms energy: -832.263667 where: bonds (distance) C4'-P energy: -159.394 bonds (distance) P-C4' energy: -150.504 flat angles C4'-P-C4' energy: -183.934 flat angles P-C4'-P energy: -114.304 tors. eta vs tors. theta energy: -224.128 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: 413 Temperature: 0.950000 Total energy: -2551.692651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.692651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.692651 (E_RNA) where: Base-Base interactions energy: -1772.940 where: short stacking energy: -733.397 Base-Backbone interact. energy: -4.481 local terms energy: -774.271617 where: bonds (distance) C4'-P energy: -135.797 bonds (distance) P-C4' energy: -143.961 flat angles C4'-P-C4' energy: -163.982 flat angles P-C4'-P energy: -107.534 tors. eta vs tors. theta energy: -222.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2388.440447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.440447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.440447 (E_RNA) where: Base-Base interactions energy: -1636.195 where: short stacking energy: -658.001 Base-Backbone interact. energy: -2.402 local terms energy: -749.843552 where: bonds (distance) C4'-P energy: -152.560 bonds (distance) P-C4' energy: -147.948 flat angles C4'-P-C4' energy: -151.136 flat angles P-C4'-P energy: -100.981 tors. eta vs tors. theta energy: -197.219 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: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2249.881412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.881412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.881412 (E_RNA) where: Base-Base interactions energy: -1501.870 where: short stacking energy: -654.265 Base-Backbone interact. energy: 1.308 local terms energy: -749.319648 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -129.738 flat angles C4'-P-C4' energy: -166.672 flat angles P-C4'-P energy: -119.168 tors. eta vs tors. theta energy: -193.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2117.830053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.830053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.830053 (E_RNA) where: Base-Base interactions energy: -1454.499 where: short stacking energy: -590.940 Base-Backbone interact. energy: -4.600 local terms energy: -658.730843 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -137.470 flat angles C4'-P-C4' energy: -153.614 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: -158.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2018.924832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.924832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.924832 (E_RNA) where: Base-Base interactions energy: -1370.579 where: short stacking energy: -580.876 Base-Backbone interact. energy: -5.089 local terms energy: -643.257213 where: bonds (distance) C4'-P energy: -123.791 bonds (distance) P-C4' energy: -135.624 flat angles C4'-P-C4' energy: -141.185 flat angles P-C4'-P energy: -81.596 tors. eta vs tors. theta energy: -161.061 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: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1682.628356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.628356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.628356 (E_RNA) where: Base-Base interactions energy: -1088.266 where: short stacking energy: -461.352 Base-Backbone interact. energy: -0.262 local terms energy: -594.099731 where: bonds (distance) C4'-P energy: -141.736 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -139.448 flat angles P-C4'-P energy: -86.754 tors. eta vs tors. theta energy: -97.888 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: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1222.479020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.479020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.479020 (E_RNA) where: Base-Base interactions energy: -732.367 where: short stacking energy: -361.067 Base-Backbone interact. energy: -1.133 local terms energy: -488.979654 where: bonds (distance) C4'-P energy: -122.383 bonds (distance) P-C4' energy: -131.591 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -50.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -779.700075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.700075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.700075 (E_RNA) where: Base-Base interactions energy: -384.989 where: short stacking energy: -241.079 Base-Backbone interact. energy: 4.540 local terms energy: -399.250721 where: bonds (distance) C4'-P energy: -106.933 bonds (distance) P-C4' energy: -129.351 flat angles C4'-P-C4' energy: -104.349 flat angles P-C4'-P energy: -70.484 tors. eta vs tors. theta energy: 11.867 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: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -543.578453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.578453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.578453 (E_RNA) where: Base-Base interactions energy: -182.869 where: short stacking energy: -137.263 Base-Backbone interact. energy: 9.377 local terms energy: -370.086871 where: bonds (distance) C4'-P energy: -109.920 bonds (distance) P-C4' energy: -126.013 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -72.932 tors. eta vs tors. theta energy: 29.442 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: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2660.853965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.853965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.853965 (E_RNA) where: Base-Base interactions energy: -1841.420 where: short stacking energy: -766.150 Base-Backbone interact. energy: -0.338 local terms energy: -819.095463 where: bonds (distance) C4'-P energy: -148.459 bonds (distance) P-C4' energy: -149.060 flat angles C4'-P-C4' energy: -167.165 flat angles P-C4'-P energy: -124.543 tors. eta vs tors. theta energy: -229.868 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: 414 Temperature: 0.950000 Total energy: -2575.780132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.780132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.780132 (E_RNA) where: Base-Base interactions energy: -1742.055 where: short stacking energy: -737.046 Base-Backbone interact. energy: -5.561 local terms energy: -828.164827 where: bonds (distance) C4'-P energy: -158.867 bonds (distance) P-C4' energy: -150.514 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -122.473 tors. eta vs tors. theta energy: -223.491 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: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2309.219451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.219451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.219451 (E_RNA) where: Base-Base interactions energy: -1539.167 where: short stacking energy: -681.876 Base-Backbone interact. energy: -2.077 local terms energy: -767.974941 where: bonds (distance) C4'-P energy: -145.840 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -149.783 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -202.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2322.590811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.590811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.590811 (E_RNA) where: Base-Base interactions energy: -1608.513 where: short stacking energy: -675.317 Base-Backbone interact. energy: -1.275 local terms energy: -712.803129 where: bonds (distance) C4'-P energy: -137.671 bonds (distance) P-C4' energy: -128.879 flat angles C4'-P-C4' energy: -162.922 flat angles P-C4'-P energy: -105.439 tors. eta vs tors. theta energy: -177.892 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: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2101.318047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.318047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.318047 (E_RNA) where: Base-Base interactions energy: -1444.728 where: short stacking energy: -580.747 Base-Backbone interact. energy: -2.947 local terms energy: -653.642683 where: bonds (distance) C4'-P energy: -115.648 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -152.815 flat angles P-C4'-P energy: -96.915 tors. eta vs tors. theta energy: -159.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2019.087018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.087018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.087018 (E_RNA) where: Base-Base interactions energy: -1376.091 where: short stacking energy: -607.939 Base-Backbone interact. energy: 5.757 local terms energy: -648.753240 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -124.501 flat angles P-C4'-P energy: -96.496 tors. eta vs tors. theta energy: -162.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1682.461623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.461623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.461623 (E_RNA) where: Base-Base interactions energy: -1118.462 where: short stacking energy: -464.736 Base-Backbone interact. energy: -2.258 local terms energy: -561.740817 where: bonds (distance) C4'-P energy: -127.691 bonds (distance) P-C4' energy: -109.394 flat angles C4'-P-C4' energy: -125.398 flat angles P-C4'-P energy: -79.710 tors. eta vs tors. theta energy: -119.547 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: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1274.867104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.867104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.867104 (E_RNA) where: Base-Base interactions energy: -790.842 where: short stacking energy: -380.814 Base-Backbone interact. energy: 9.699 local terms energy: -493.724031 where: bonds (distance) C4'-P energy: -120.052 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -125.627 flat angles P-C4'-P energy: -80.759 tors. eta vs tors. theta energy: -59.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -689.924616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.924616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.924616 (E_RNA) where: Base-Base interactions energy: -280.184 where: short stacking energy: -202.530 Base-Backbone interact. energy: -0.432 local terms energy: -409.307984 where: bonds (distance) C4'-P energy: -103.795 bonds (distance) P-C4' energy: -153.960 flat angles C4'-P-C4' energy: -104.612 flat angles P-C4'-P energy: -36.973 tors. eta vs tors. theta energy: -9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -534.901864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.901864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.901864 (E_RNA) where: Base-Base interactions energy: -190.936 where: short stacking energy: -119.103 Base-Backbone interact. energy: 5.686 local terms energy: -349.651697 where: bonds (distance) C4'-P energy: -126.332 bonds (distance) P-C4' energy: -108.907 flat angles C4'-P-C4' energy: -109.013 flat angles P-C4'-P energy: -54.862 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: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2658.806592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.806592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.806592 (E_RNA) where: Base-Base interactions energy: -1842.944 where: short stacking energy: -732.097 Base-Backbone interact. energy: -3.498 local terms energy: -812.364753 where: bonds (distance) C4'-P energy: -154.493 bonds (distance) P-C4' energy: -157.417 flat angles C4'-P-C4' energy: -176.551 flat angles P-C4'-P energy: -108.814 tors. eta vs tors. theta energy: -215.089 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: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2594.372038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.372038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.372038 (E_RNA) where: Base-Base interactions energy: -1801.597 where: short stacking energy: -737.661 Base-Backbone interact. energy: -3.649 local terms energy: -789.126579 where: bonds (distance) C4'-P energy: -145.196 bonds (distance) P-C4' energy: -156.291 flat angles C4'-P-C4' energy: -162.040 flat angles P-C4'-P energy: -97.210 tors. eta vs tors. theta energy: -228.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2310.757489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.757489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.757489 (E_RNA) where: Base-Base interactions energy: -1544.314 where: short stacking energy: -653.546 Base-Backbone interact. energy: -2.127 local terms energy: -764.316169 where: bonds (distance) C4'-P energy: -141.023 bonds (distance) P-C4' energy: -157.650 flat angles C4'-P-C4' energy: -158.066 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -208.627 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: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2371.555531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.555531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.555531 (E_RNA) where: Base-Base interactions energy: -1650.493 where: short stacking energy: -703.848 Base-Backbone interact. energy: 0.498 local terms energy: -721.561073 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -161.049 flat angles P-C4'-P energy: -95.751 tors. eta vs tors. theta energy: -203.109 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: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2133.348917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.348917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.348917 (E_RNA) where: Base-Base interactions energy: -1489.661 where: short stacking energy: -621.129 Base-Backbone interact. energy: 2.545 local terms energy: -646.233320 where: bonds (distance) C4'-P energy: -119.613 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -148.588 flat angles P-C4'-P energy: -79.568 tors. eta vs tors. theta energy: -161.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2033.614714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.614714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.614714 (E_RNA) where: Base-Base interactions energy: -1352.841 where: short stacking energy: -565.394 Base-Backbone interact. energy: -3.364 local terms energy: -677.409737 where: bonds (distance) C4'-P energy: -135.103 bonds (distance) P-C4' energy: -131.843 flat angles C4'-P-C4' energy: -163.000 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -149.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1674.082063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.082063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.082063 (E_RNA) where: Base-Base interactions energy: -1089.288 where: short stacking energy: -452.959 Base-Backbone interact. energy: -6.046 local terms energy: -578.747885 where: bonds (distance) C4'-P energy: -125.595 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -126.111 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -122.840 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: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1285.885955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.885955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.885955 (E_RNA) where: Base-Base interactions energy: -765.914 where: short stacking energy: -341.166 Base-Backbone interact. energy: 3.438 local terms energy: -523.410029 where: bonds (distance) C4'-P energy: -130.656 bonds (distance) P-C4' energy: -121.023 flat angles C4'-P-C4' energy: -128.715 flat angles P-C4'-P energy: -78.388 tors. eta vs tors. theta energy: -64.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -684.523605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.523605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.523605 (E_RNA) where: Base-Base interactions energy: -286.801 where: short stacking energy: -176.329 Base-Backbone interact. energy: 3.784 local terms energy: -401.506503 where: bonds (distance) C4'-P energy: -111.641 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -113.613 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: 18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -570.251308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.251308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.251308 (E_RNA) where: Base-Base interactions energy: -170.666 where: short stacking energy: -138.837 Base-Backbone interact. energy: 2.607 local terms energy: -402.192644 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -111.627 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: 25.896 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: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2676.275888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.275888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.275888 (E_RNA) where: Base-Base interactions energy: -1868.933 where: short stacking energy: -776.335 Base-Backbone interact. energy: -6.001 local terms energy: -801.342104 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -137.363 flat angles C4'-P-C4' energy: -173.090 flat angles P-C4'-P energy: -109.687 tors. eta vs tors. theta energy: -226.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2574.747433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.747433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.747433 (E_RNA) where: Base-Base interactions energy: -1776.186 where: short stacking energy: -743.784 Base-Backbone interact. energy: -2.348 local terms energy: -796.212750 where: bonds (distance) C4'-P energy: -138.982 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -160.061 flat angles P-C4'-P energy: -110.671 tors. eta vs tors. theta energy: -228.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2324.302326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.302326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.302326 (E_RNA) where: Base-Base interactions energy: -1562.103 where: short stacking energy: -691.123 Base-Backbone interact. energy: -1.708 local terms energy: -760.490642 where: bonds (distance) C4'-P energy: -139.955 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -171.517 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: -203.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2344.217051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.217051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.217051 (E_RNA) where: Base-Base interactions energy: -1630.022 where: short stacking energy: -654.503 Base-Backbone interact. energy: 3.174 local terms energy: -717.368669 where: bonds (distance) C4'-P energy: -135.171 bonds (distance) P-C4' energy: -136.269 flat angles C4'-P-C4' energy: -158.246 flat angles P-C4'-P energy: -100.138 tors. eta vs tors. theta energy: -187.545 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: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2083.039048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.039048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.039048 (E_RNA) where: Base-Base interactions energy: -1389.077 where: short stacking energy: -575.226 Base-Backbone interact. energy: -3.088 local terms energy: -690.873156 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -134.230 flat angles C4'-P-C4' energy: -163.738 flat angles P-C4'-P energy: -100.468 tors. eta vs tors. theta energy: -170.285 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: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2070.284800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.284800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.284800 (E_RNA) where: Base-Base interactions energy: -1388.559 where: short stacking energy: -618.365 Base-Backbone interact. energy: -1.263 local terms energy: -680.463000 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -137.343 flat angles P-C4'-P energy: -102.264 tors. eta vs tors. theta energy: -164.295 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: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1632.166353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.166353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.166353 (E_RNA) where: Base-Base interactions energy: -1077.603 where: short stacking energy: -462.520 Base-Backbone interact. energy: 4.472 local terms energy: -559.035804 where: bonds (distance) C4'-P energy: -106.425 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -136.616 flat angles P-C4'-P energy: -102.596 tors. eta vs tors. theta energy: -108.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1328.117017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.117017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.117017 (E_RNA) where: Base-Base interactions energy: -815.999 where: short stacking energy: -378.464 Base-Backbone interact. energy: -1.989 local terms energy: -510.128657 where: bonds (distance) C4'-P energy: -119.280 bonds (distance) P-C4' energy: -129.521 flat angles C4'-P-C4' energy: -126.535 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -67.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -652.725374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.725374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.725374 (E_RNA) where: Base-Base interactions energy: -280.036 where: short stacking energy: -204.305 Base-Backbone interact. energy: 2.313 local terms energy: -375.001603 where: bonds (distance) C4'-P energy: -120.891 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -83.669 flat angles P-C4'-P energy: -43.201 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: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -555.126557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.126557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.126557 (E_RNA) where: Base-Base interactions energy: -226.381 where: short stacking energy: -149.226 Base-Backbone interact. energy: 6.165 local terms energy: -334.910549 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -123.157 flat angles C4'-P-C4' energy: -101.953 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: 48.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2659.667627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.667627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.667627 (E_RNA) where: Base-Base interactions energy: -1829.753 where: short stacking energy: -752.415 Base-Backbone interact. energy: -0.715 local terms energy: -829.199758 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -144.278 flat angles C4'-P-C4' energy: -171.513 flat angles P-C4'-P energy: -116.926 tors. eta vs tors. theta energy: -236.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2606.198022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.198022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.198022 (E_RNA) where: Base-Base interactions energy: -1816.561 where: short stacking energy: -750.028 Base-Backbone interact. energy: -5.748 local terms energy: -783.888636 where: bonds (distance) C4'-P energy: -138.821 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -173.701 flat angles P-C4'-P energy: -101.620 tors. eta vs tors. theta energy: -223.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2340.315160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.315160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.315160 (E_RNA) where: Base-Base interactions energy: -1570.653 where: short stacking energy: -680.899 Base-Backbone interact. energy: 0.054 local terms energy: -769.716087 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -152.769 flat angles C4'-P-C4' energy: -148.842 flat angles P-C4'-P energy: -117.764 tors. eta vs tors. theta energy: -202.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2302.516747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.516747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.516747 (E_RNA) where: Base-Base interactions energy: -1587.909 where: short stacking energy: -642.777 Base-Backbone interact. energy: -3.148 local terms energy: -711.459094 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -141.334 flat angles C4'-P-C4' energy: -162.837 flat angles P-C4'-P energy: -93.978 tors. eta vs tors. theta energy: -188.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2049.485541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.485541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.485541 (E_RNA) where: Base-Base interactions energy: -1347.194 where: short stacking energy: -572.350 Base-Backbone interact. energy: -0.683 local terms energy: -701.608187 where: bonds (distance) C4'-P energy: -138.518 bonds (distance) P-C4' energy: -145.345 flat angles C4'-P-C4' energy: -147.503 flat angles P-C4'-P energy: -97.659 tors. eta vs tors. theta energy: -172.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2082.393123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.393123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.393123 (E_RNA) where: Base-Base interactions energy: -1408.158 where: short stacking energy: -619.587 Base-Backbone interact. energy: -1.611 local terms energy: -672.624002 where: bonds (distance) C4'-P energy: -125.780 bonds (distance) P-C4' energy: -129.724 flat angles C4'-P-C4' energy: -143.304 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -178.415 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: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1673.948610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.948610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.948610 (E_RNA) where: Base-Base interactions energy: -1113.622 where: short stacking energy: -460.994 Base-Backbone interact. energy: 2.877 local terms energy: -563.203532 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -128.052 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -116.340 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: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1329.805049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.805049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.805049 (E_RNA) where: Base-Base interactions energy: -784.565 where: short stacking energy: -362.475 Base-Backbone interact. energy: -1.566 local terms energy: -543.673434 where: bonds (distance) C4'-P energy: -122.954 bonds (distance) P-C4' energy: -148.830 flat angles C4'-P-C4' energy: -139.480 flat angles P-C4'-P energy: -69.212 tors. eta vs tors. theta energy: -63.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -692.551678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.551678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.551678 (E_RNA) where: Base-Base interactions energy: -291.214 where: short stacking energy: -187.766 Base-Backbone interact. energy: -0.630 local terms energy: -400.706852 where: bonds (distance) C4'-P energy: -117.450 bonds (distance) P-C4' energy: -122.256 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: 6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -553.237481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.237481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.237481 (E_RNA) where: Base-Base interactions energy: -212.245 where: short stacking energy: -140.080 Base-Backbone interact. energy: -1.724 local terms energy: -339.268318 where: bonds (distance) C4'-P energy: -117.190 bonds (distance) P-C4' energy: -128.313 flat angles C4'-P-C4' energy: -80.903 flat angles P-C4'-P energy: -43.775 tors. eta vs tors. theta energy: 30.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2653.006550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.006550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.006550 (E_RNA) where: Base-Base interactions energy: -1830.105 where: short stacking energy: -750.716 Base-Backbone interact. energy: -2.798 local terms energy: -820.103850 where: bonds (distance) C4'-P energy: -154.006 bonds (distance) P-C4' energy: -146.609 flat angles C4'-P-C4' energy: -170.353 flat angles P-C4'-P energy: -117.710 tors. eta vs tors. theta energy: -231.426 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: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2623.561601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.561601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.561601 (E_RNA) where: Base-Base interactions energy: -1784.199 where: short stacking energy: -750.499 Base-Backbone interact. energy: 2.940 local terms energy: -842.302456 where: bonds (distance) C4'-P energy: -147.128 bonds (distance) P-C4' energy: -154.671 flat angles C4'-P-C4' energy: -177.537 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -242.981 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: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2372.020465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.020465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.020465 (E_RNA) where: Base-Base interactions energy: -1581.009 where: short stacking energy: -652.043 Base-Backbone interact. energy: -0.824 local terms energy: -790.187583 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -147.317 flat angles C4'-P-C4' energy: -166.146 flat angles P-C4'-P energy: -118.269 tors. eta vs tors. theta energy: -199.572 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: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2309.692585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.692585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.692585 (E_RNA) where: Base-Base interactions energy: -1581.198 where: short stacking energy: -652.383 Base-Backbone interact. energy: -0.960 local terms energy: -727.534342 where: bonds (distance) C4'-P energy: -155.202 bonds (distance) P-C4' energy: -136.819 flat angles C4'-P-C4' energy: -152.791 flat angles P-C4'-P energy: -106.407 tors. eta vs tors. theta energy: -176.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2094.766593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.766593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.766593 (E_RNA) where: Base-Base interactions energy: -1397.346 where: short stacking energy: -577.271 Base-Backbone interact. energy: 5.039 local terms energy: -702.459496 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -147.784 flat angles P-C4'-P energy: -91.365 tors. eta vs tors. theta energy: -163.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2015.157435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.157435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.157435 (E_RNA) where: Base-Base interactions energy: -1360.179 where: short stacking energy: -571.527 Base-Backbone interact. energy: -2.194 local terms energy: -652.784334 where: bonds (distance) C4'-P energy: -133.639 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -157.044 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -161.728 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: 418 Temperature: 1.200000 Total energy: -1662.023780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.023780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.023780 (E_RNA) where: Base-Base interactions energy: -1044.119 where: short stacking energy: -485.717 Base-Backbone interact. energy: 1.269 local terms energy: -619.173887 where: bonds (distance) C4'-P energy: -119.708 bonds (distance) P-C4' energy: -141.445 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -93.469 tors. eta vs tors. theta energy: -125.798 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: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1232.164451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.164451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.164451 (E_RNA) where: Base-Base interactions energy: -740.930 where: short stacking energy: -339.897 Base-Backbone interact. energy: -0.346 local terms energy: -490.888369 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -121.391 flat angles C4'-P-C4' energy: -138.071 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -43.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -615.029607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.029607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.029607 (E_RNA) where: Base-Base interactions energy: -226.882 where: short stacking energy: -153.834 Base-Backbone interact. energy: 8.628 local terms energy: -396.776279 where: bonds (distance) C4'-P energy: -113.457 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -113.242 flat angles P-C4'-P energy: -64.196 tors. eta vs tors. theta energy: 34.014 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: 418 Temperature: 1.350000 Total energy: -642.694884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.694884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.694884 (E_RNA) where: Base-Base interactions energy: -252.144 where: short stacking energy: -161.452 Base-Backbone interact. energy: 1.657 local terms energy: -392.207650 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -148.548 flat angles C4'-P-C4' energy: -114.505 flat angles P-C4'-P energy: -53.384 tors. eta vs tors. theta energy: 37.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2679.822329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.822329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.822329 (E_RNA) where: Base-Base interactions energy: -1858.034 where: short stacking energy: -785.931 Base-Backbone interact. energy: -6.736 local terms energy: -815.052556 where: bonds (distance) C4'-P energy: -148.432 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -118.748 tors. eta vs tors. theta energy: -236.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2648.006889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.006889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.006889 (E_RNA) where: Base-Base interactions energy: -1838.552 where: short stacking energy: -767.877 Base-Backbone interact. energy: -4.877 local terms energy: -804.577891 where: bonds (distance) C4'-P energy: -141.624 bonds (distance) P-C4' energy: -155.406 flat angles C4'-P-C4' energy: -169.014 flat angles P-C4'-P energy: -101.161 tors. eta vs tors. theta energy: -237.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2350.072509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.072509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.072509 (E_RNA) where: Base-Base interactions energy: -1585.359 where: short stacking energy: -707.712 Base-Backbone interact. energy: -0.161 local terms energy: -764.551884 where: bonds (distance) C4'-P energy: -143.781 bonds (distance) P-C4' energy: -137.422 flat angles C4'-P-C4' energy: -167.501 flat angles P-C4'-P energy: -105.409 tors. eta vs tors. theta energy: -210.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2348.833600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.833600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.833600 (E_RNA) where: Base-Base interactions energy: -1630.498 where: short stacking energy: -666.077 Base-Backbone interact. energy: -1.387 local terms energy: -716.948565 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -118.953 flat angles C4'-P-C4' energy: -153.373 flat angles P-C4'-P energy: -107.772 tors. eta vs tors. theta energy: -187.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2137.335310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.335310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.335310 (E_RNA) where: Base-Base interactions energy: -1480.996 where: short stacking energy: -621.324 Base-Backbone interact. energy: -0.773 local terms energy: -655.566626 where: bonds (distance) C4'-P energy: -129.105 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -138.558 flat angles P-C4'-P energy: -69.687 tors. eta vs tors. theta energy: -181.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2055.446594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.446594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.446594 (E_RNA) where: Base-Base interactions energy: -1386.306 where: short stacking energy: -583.034 Base-Backbone interact. energy: 5.042 local terms energy: -674.182937 where: bonds (distance) C4'-P energy: -121.203 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -150.995 flat angles P-C4'-P energy: -85.746 tors. eta vs tors. theta energy: -174.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1625.797369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.797369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.797369 (E_RNA) where: Base-Base interactions energy: -1033.925 where: short stacking energy: -485.076 Base-Backbone interact. energy: -1.560 local terms energy: -590.312382 where: bonds (distance) C4'-P energy: -99.060 bonds (distance) P-C4' energy: -128.930 flat angles C4'-P-C4' energy: -148.361 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -127.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1207.740510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.740510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.740510 (E_RNA) where: Base-Base interactions energy: -738.511 where: short stacking energy: -355.877 Base-Backbone interact. energy: 1.962 local terms energy: -471.192024 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -130.250 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -27.347 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: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -673.826348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.826348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.826348 (E_RNA) where: Base-Base interactions energy: -258.098 where: short stacking energy: -178.442 Base-Backbone interact. energy: 3.847 local terms energy: -419.574979 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -144.525 flat angles C4'-P-C4' energy: -123.617 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: 25.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -613.758359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.758359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.758359 (E_RNA) where: Base-Base interactions energy: -228.116 where: short stacking energy: -159.518 Base-Backbone interact. energy: -0.136 local terms energy: -385.506099 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -126.450 flat angles C4'-P-C4' energy: -108.526 flat angles P-C4'-P energy: -51.722 tors. eta vs tors. theta energy: 23.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2701.864575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.864575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.864575 (E_RNA) where: Base-Base interactions energy: -1849.156 where: short stacking energy: -772.502 Base-Backbone interact. energy: -2.823 local terms energy: -849.885322 where: bonds (distance) C4'-P energy: -153.899 bonds (distance) P-C4' energy: -159.806 flat angles C4'-P-C4' energy: -179.625 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -242.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2623.110369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.110369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.110369 (E_RNA) where: Base-Base interactions energy: -1818.704 where: short stacking energy: -748.761 Base-Backbone interact. energy: -4.428 local terms energy: -799.978546 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -174.229 flat angles P-C4'-P energy: -108.328 tors. eta vs tors. theta energy: -237.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2351.071237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.071237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.071237 (E_RNA) where: Base-Base interactions energy: -1596.342 where: short stacking energy: -693.161 Base-Backbone interact. energy: -1.050 local terms energy: -753.678444 where: bonds (distance) C4'-P energy: -135.406 bonds (distance) P-C4' energy: -145.470 flat angles C4'-P-C4' energy: -158.092 flat angles P-C4'-P energy: -108.289 tors. eta vs tors. theta energy: -206.420 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: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2304.076119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.076119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.076119 (E_RNA) where: Base-Base interactions energy: -1565.834 where: short stacking energy: -675.084 Base-Backbone interact. energy: -2.155 local terms energy: -736.086924 where: bonds (distance) C4'-P energy: -129.434 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -167.478 flat angles P-C4'-P energy: -102.012 tors. eta vs tors. theta energy: -189.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2109.322697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.322697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.322697 (E_RNA) where: Base-Base interactions energy: -1431.353 where: short stacking energy: -616.810 Base-Backbone interact. energy: -2.771 local terms energy: -675.198844 where: bonds (distance) C4'-P energy: -119.476 bonds (distance) P-C4' energy: -134.610 flat angles C4'-P-C4' energy: -158.251 flat angles P-C4'-P energy: -84.224 tors. eta vs tors. theta energy: -178.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2014.824307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.824307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.824307 (E_RNA) where: Base-Base interactions energy: -1389.110 where: short stacking energy: -597.496 Base-Backbone interact. energy: -2.431 local terms energy: -623.282875 where: bonds (distance) C4'-P energy: -115.947 bonds (distance) P-C4' energy: -111.252 flat angles C4'-P-C4' energy: -137.756 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -163.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1717.007038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.007038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.007038 (E_RNA) where: Base-Base interactions energy: -1095.731 where: short stacking energy: -512.193 Base-Backbone interact. energy: 1.232 local terms energy: -622.507983 where: bonds (distance) C4'-P energy: -120.064 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -88.926 tors. eta vs tors. theta energy: -140.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1220.940882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.940882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.940882 (E_RNA) where: Base-Base interactions energy: -722.511 where: short stacking energy: -336.407 Base-Backbone interact. energy: -0.771 local terms energy: -497.658741 where: bonds (distance) C4'-P energy: -101.412 bonds (distance) P-C4' energy: -121.076 flat angles C4'-P-C4' energy: -131.995 flat angles P-C4'-P energy: -77.171 tors. eta vs tors. theta energy: -66.005 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: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -662.930829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.930829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.930829 (E_RNA) where: Base-Base interactions energy: -268.650 where: short stacking energy: -205.355 Base-Backbone interact. energy: 2.104 local terms energy: -396.384545 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -127.421 flat angles C4'-P-C4' energy: -93.430 flat angles P-C4'-P energy: -70.252 tors. eta vs tors. theta energy: 8.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -637.854714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.854714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.854714 (E_RNA) where: Base-Base interactions energy: -239.740 where: short stacking energy: -186.968 Base-Backbone interact. energy: 4.035 local terms energy: -402.150507 where: bonds (distance) C4'-P energy: -115.237 bonds (distance) P-C4' energy: -143.934 flat angles C4'-P-C4' energy: -102.507 flat angles P-C4'-P energy: -61.814 tors. eta vs tors. theta energy: 21.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2677.208473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.208473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.208473 (E_RNA) where: Base-Base interactions energy: -1829.927 where: short stacking energy: -769.010 Base-Backbone interact. energy: -3.165 local terms energy: -844.117337 where: bonds (distance) C4'-P energy: -154.543 bonds (distance) P-C4' energy: -166.512 flat angles C4'-P-C4' energy: -173.095 flat angles P-C4'-P energy: -111.666 tors. eta vs tors. theta energy: -238.301 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: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2608.476924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.476924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.476924 (E_RNA) where: Base-Base interactions energy: -1800.420 where: short stacking energy: -741.617 Base-Backbone interact. energy: -4.991 local terms energy: -803.066379 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -164.756 flat angles C4'-P-C4' energy: -165.292 flat angles P-C4'-P energy: -109.623 tors. eta vs tors. theta energy: -233.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2369.756638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.756638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.756638 (E_RNA) where: Base-Base interactions energy: -1609.566 where: short stacking energy: -686.756 Base-Backbone interact. energy: -0.826 local terms energy: -759.364687 where: bonds (distance) C4'-P energy: -129.978 bonds (distance) P-C4' energy: -147.607 flat angles C4'-P-C4' energy: -165.652 flat angles P-C4'-P energy: -98.663 tors. eta vs tors. theta energy: -217.465 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: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2349.681166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.681166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.681166 (E_RNA) where: Base-Base interactions energy: -1600.711 where: short stacking energy: -668.955 Base-Backbone interact. energy: 1.815 local terms energy: -750.785679 where: bonds (distance) C4'-P energy: -141.823 bonds (distance) P-C4' energy: -143.784 flat angles C4'-P-C4' energy: -165.368 flat angles P-C4'-P energy: -102.548 tors. eta vs tors. theta energy: -197.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2065.974595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.974595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.974595 (E_RNA) where: Base-Base interactions energy: -1373.684 where: short stacking energy: -592.207 Base-Backbone interact. energy: 2.607 local terms energy: -694.898069 where: bonds (distance) C4'-P energy: -139.751 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -166.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2026.928495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.928495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.928495 (E_RNA) where: Base-Base interactions energy: -1335.367 where: short stacking energy: -551.801 Base-Backbone interact. energy: -2.782 local terms energy: -688.779170 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -169.519 flat angles P-C4'-P energy: -91.735 tors. eta vs tors. theta energy: -159.583 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: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1734.855762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.855762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.855762 (E_RNA) where: Base-Base interactions energy: -1094.632 where: short stacking energy: -470.302 Base-Backbone interact. energy: 2.909 local terms energy: -643.132655 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -154.745 flat angles C4'-P-C4' energy: -146.188 flat angles P-C4'-P energy: -101.935 tors. eta vs tors. theta energy: -122.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1244.761774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.761774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.761774 (E_RNA) where: Base-Base interactions energy: -768.231 where: short stacking energy: -368.859 Base-Backbone interact. energy: 2.957 local terms energy: -479.487573 where: bonds (distance) C4'-P energy: -125.811 bonds (distance) P-C4' energy: -100.543 flat angles C4'-P-C4' energy: -124.483 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -60.078 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: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -715.821054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.821054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.821054 (E_RNA) where: Base-Base interactions energy: -335.889 where: short stacking energy: -205.626 Base-Backbone interact. energy: 0.836 local terms energy: -380.768630 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -142.205 flat angles C4'-P-C4' energy: -99.903 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: 33.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -598.197477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.197477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.197477 (E_RNA) where: Base-Base interactions energy: -252.326 where: short stacking energy: -162.823 Base-Backbone interact. energy: 3.290 local terms energy: -349.161287 where: bonds (distance) C4'-P energy: -109.649 bonds (distance) P-C4' energy: -117.309 flat angles C4'-P-C4' energy: -91.675 flat angles P-C4'-P energy: -57.032 tors. eta vs tors. theta energy: 26.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2692.518135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.518135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.518135 (E_RNA) where: Base-Base interactions energy: -1874.074 where: short stacking energy: -768.483 Base-Backbone interact. energy: -2.933 local terms energy: -815.511583 where: bonds (distance) C4'-P energy: -128.793 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -177.980 flat angles P-C4'-P energy: -124.299 tors. eta vs tors. theta energy: -237.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2609.007764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.007764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.007764 (E_RNA) where: Base-Base interactions energy: -1773.843 where: short stacking energy: -744.553 Base-Backbone interact. energy: -5.616 local terms energy: -829.548197 where: bonds (distance) C4'-P energy: -148.453 bonds (distance) P-C4' energy: -162.029 flat angles C4'-P-C4' energy: -172.666 flat angles P-C4'-P energy: -111.435 tors. eta vs tors. theta energy: -234.965 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: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2381.650372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.650372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.650372 (E_RNA) where: Base-Base interactions energy: -1629.257 where: short stacking energy: -691.824 Base-Backbone interact. energy: -2.786 local terms energy: -749.606931 where: bonds (distance) C4'-P energy: -129.105 bonds (distance) P-C4' energy: -139.576 flat angles C4'-P-C4' energy: -167.737 flat angles P-C4'-P energy: -108.336 tors. eta vs tors. theta energy: -204.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2272.719497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.719497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.719497 (E_RNA) where: Base-Base interactions energy: -1540.344 where: short stacking energy: -670.161 Base-Backbone interact. energy: -5.125 local terms energy: -727.250918 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -147.768 flat angles C4'-P-C4' energy: -164.094 flat angles P-C4'-P energy: -88.178 tors. eta vs tors. theta energy: -202.554 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: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2063.269749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.269749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.269749 (E_RNA) where: Base-Base interactions energy: -1423.672 where: short stacking energy: -601.108 Base-Backbone interact. energy: 3.527 local terms energy: -643.124616 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -85.316 tors. eta vs tors. theta energy: -172.442 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: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2004.057725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.057725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.057725 (E_RNA) where: Base-Base interactions energy: -1358.013 where: short stacking energy: -561.419 Base-Backbone interact. energy: 0.290 local terms energy: -646.334985 where: bonds (distance) C4'-P energy: -139.078 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -154.603 flat angles P-C4'-P energy: -88.323 tors. eta vs tors. theta energy: -147.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1616.138083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.138083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.138083 (E_RNA) where: Base-Base interactions energy: -1008.439 where: short stacking energy: -459.431 Base-Backbone interact. energy: -1.985 local terms energy: -605.714017 where: bonds (distance) C4'-P energy: -136.911 bonds (distance) P-C4' energy: -138.090 flat angles C4'-P-C4' energy: -142.053 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -101.588 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: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1261.572799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.572799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.572799 (E_RNA) where: Base-Base interactions energy: -730.529 where: short stacking energy: -345.196 Base-Backbone interact. energy: -2.708 local terms energy: -528.335704 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -144.197 flat angles C4'-P-C4' energy: -133.338 flat angles P-C4'-P energy: -59.523 tors. eta vs tors. theta energy: -66.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -673.501074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.501074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.501074 (E_RNA) where: Base-Base interactions energy: -302.251 where: short stacking energy: -218.001 Base-Backbone interact. energy: -0.108 local terms energy: -371.141742 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -114.938 flat angles C4'-P-C4' energy: -101.679 flat angles P-C4'-P energy: -57.763 tors. eta vs tors. theta energy: 19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -686.606152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.606152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.606152 (E_RNA) where: Base-Base interactions energy: -318.343 where: short stacking energy: -184.755 Base-Backbone interact. energy: 0.143 local terms energy: -368.406283 where: bonds (distance) C4'-P energy: -110.408 bonds (distance) P-C4' energy: -119.414 flat angles C4'-P-C4' energy: -102.482 flat angles P-C4'-P energy: -66.777 tors. eta vs tors. theta energy: 30.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2688.886168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.886168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.886168 (E_RNA) where: Base-Base interactions energy: -1851.121 where: short stacking energy: -752.458 Base-Backbone interact. energy: -5.156 local terms energy: -832.609729 where: bonds (distance) C4'-P energy: -159.247 bonds (distance) P-C4' energy: -157.919 flat angles C4'-P-C4' energy: -165.529 flat angles P-C4'-P energy: -121.352 tors. eta vs tors. theta energy: -228.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2628.522251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.522251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.522251 (E_RNA) where: Base-Base interactions energy: -1809.248 where: short stacking energy: -727.591 Base-Backbone interact. energy: -4.418 local terms energy: -814.856427 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -163.386 flat angles C4'-P-C4' energy: -169.623 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -228.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2392.684942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.684942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.684942 (E_RNA) where: Base-Base interactions energy: -1608.111 where: short stacking energy: -693.837 Base-Backbone interact. energy: -2.899 local terms energy: -781.675602 where: bonds (distance) C4'-P energy: -147.116 bonds (distance) P-C4' energy: -153.247 flat angles C4'-P-C4' energy: -165.384 flat angles P-C4'-P energy: -106.574 tors. eta vs tors. theta energy: -209.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2291.451058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.451058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.451058 (E_RNA) where: Base-Base interactions energy: -1572.537 where: short stacking energy: -660.087 Base-Backbone interact. energy: -2.802 local terms energy: -716.112343 where: bonds (distance) C4'-P energy: -129.888 bonds (distance) P-C4' energy: -135.565 flat angles C4'-P-C4' energy: -163.727 flat angles P-C4'-P energy: -83.868 tors. eta vs tors. theta energy: -203.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2088.579658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.579658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.579658 (E_RNA) where: Base-Base interactions energy: -1404.215 where: short stacking energy: -573.324 Base-Backbone interact. energy: -6.526 local terms energy: -677.838384 where: bonds (distance) C4'-P energy: -134.188 bonds (distance) P-C4' energy: -142.473 flat angles C4'-P-C4' energy: -146.037 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -155.079 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: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1984.259012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.259012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.259012 (E_RNA) where: Base-Base interactions energy: -1331.770 where: short stacking energy: -582.944 Base-Backbone interact. energy: -0.326 local terms energy: -652.162489 where: bonds (distance) C4'-P energy: -123.191 bonds (distance) P-C4' energy: -144.052 flat angles C4'-P-C4' energy: -137.578 flat angles P-C4'-P energy: -80.033 tors. eta vs tors. theta energy: -167.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1678.104603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.104603 (E_RNA) where: Base-Base interactions energy: -1092.724 where: short stacking energy: -473.965 Base-Backbone interact. energy: -1.027 local terms energy: -584.354300 where: bonds (distance) C4'-P energy: -120.507 bonds (distance) P-C4' energy: -119.057 flat angles C4'-P-C4' energy: -135.395 flat angles P-C4'-P energy: -81.312 tors. eta vs tors. theta energy: -128.082 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: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1261.221596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.221596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.221596 (E_RNA) where: Base-Base interactions energy: -769.722 where: short stacking energy: -333.667 Base-Backbone interact. energy: 1.127 local terms energy: -492.626520 where: bonds (distance) C4'-P energy: -114.375 bonds (distance) P-C4' energy: -115.290 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -42.326 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: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -713.498502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.498502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.498502 (E_RNA) where: Base-Base interactions energy: -322.344 where: short stacking energy: -198.631 Base-Backbone interact. energy: 0.277 local terms energy: -391.431370 where: bonds (distance) C4'-P energy: -99.763 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -121.007 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: 18.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -616.314224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.314224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.314224 (E_RNA) where: Base-Base interactions energy: -258.861 where: short stacking energy: -159.009 Base-Backbone interact. energy: 0.597 local terms energy: -358.049622 where: bonds (distance) C4'-P energy: -105.879 bonds (distance) P-C4' energy: -134.781 flat angles C4'-P-C4' energy: -107.211 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: 30.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2698.215371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.215371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.215371 (E_RNA) where: Base-Base interactions energy: -1843.267 where: short stacking energy: -793.402 Base-Backbone interact. energy: -3.326 local terms energy: -851.622031 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -184.995 flat angles P-C4'-P energy: -113.690 tors. eta vs tors. theta energy: -254.669 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: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2591.290804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.290804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.290804 (E_RNA) where: Base-Base interactions energy: -1793.580 where: short stacking energy: -736.358 Base-Backbone interact. energy: -3.752 local terms energy: -793.958540 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -143.755 flat angles C4'-P-C4' energy: -171.638 flat angles P-C4'-P energy: -111.666 tors. eta vs tors. theta energy: -229.269 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: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2374.705829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.705829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.705829 (E_RNA) where: Base-Base interactions energy: -1629.710 where: short stacking energy: -698.079 Base-Backbone interact. energy: -3.106 local terms energy: -741.889281 where: bonds (distance) C4'-P energy: -135.342 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -154.173 flat angles P-C4'-P energy: -107.505 tors. eta vs tors. theta energy: -199.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2320.157227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.157227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.157227 (E_RNA) where: Base-Base interactions energy: -1589.949 where: short stacking energy: -656.430 Base-Backbone interact. energy: 3.762 local terms energy: -733.970286 where: bonds (distance) C4'-P energy: -129.819 bonds (distance) P-C4' energy: -145.328 flat angles C4'-P-C4' energy: -164.668 flat angles P-C4'-P energy: -89.342 tors. eta vs tors. theta energy: -204.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2128.186128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.186128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.186128 (E_RNA) where: Base-Base interactions energy: -1431.032 where: short stacking energy: -617.856 Base-Backbone interact. energy: -3.509 local terms energy: -693.645239 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -99.768 tors. eta vs tors. theta energy: -185.442 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: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2003.177290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.177290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.177290 (E_RNA) where: Base-Base interactions energy: -1374.544 where: short stacking energy: -570.697 Base-Backbone interact. energy: -4.631 local terms energy: -624.002273 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -115.890 flat angles C4'-P-C4' energy: -144.046 flat angles P-C4'-P energy: -104.101 tors. eta vs tors. theta energy: -154.250 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: 424 Temperature: 1.200000 Total energy: -1709.401290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.401290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.401290 (E_RNA) where: Base-Base interactions energy: -1098.275 where: short stacking energy: -499.983 Base-Backbone interact. energy: -0.923 local terms energy: -610.203967 where: bonds (distance) C4'-P energy: -124.461 bonds (distance) P-C4' energy: -140.652 flat angles C4'-P-C4' energy: -150.239 flat angles P-C4'-P energy: -85.541 tors. eta vs tors. theta energy: -109.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1289.083745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.083745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.083745 (E_RNA) where: Base-Base interactions energy: -785.374 where: short stacking energy: -360.965 Base-Backbone interact. energy: 0.721 local terms energy: -504.431187 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -136.263 flat angles C4'-P-C4' energy: -115.471 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -66.981 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: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -661.632299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.632299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.632299 (E_RNA) where: Base-Base interactions energy: -244.034 where: short stacking energy: -181.062 Base-Backbone interact. energy: -1.027 local terms energy: -416.571377 where: bonds (distance) C4'-P energy: -115.979 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -96.879 flat angles P-C4'-P energy: -85.421 tors. eta vs tors. theta energy: 25.886 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: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -658.368555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.368555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.368555 (E_RNA) where: Base-Base interactions energy: -266.630 where: short stacking energy: -190.648 Base-Backbone interact. energy: 3.315 local terms energy: -395.054019 where: bonds (distance) C4'-P energy: -126.759 bonds (distance) P-C4' energy: -125.229 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -64.569 tors. eta vs tors. theta energy: 22.689 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: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2688.051563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.051563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.051563 (E_RNA) where: Base-Base interactions energy: -1862.504 where: short stacking energy: -770.619 Base-Backbone interact. energy: -3.057 local terms energy: -822.490492 where: bonds (distance) C4'-P energy: -150.908 bonds (distance) P-C4' energy: -142.462 flat angles C4'-P-C4' energy: -181.311 flat angles P-C4'-P energy: -113.790 tors. eta vs tors. theta energy: -234.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2597.250118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.250118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.250118 (E_RNA) where: Base-Base interactions energy: -1805.455 where: short stacking energy: -751.413 Base-Backbone interact. energy: -4.846 local terms energy: -786.949109 where: bonds (distance) C4'-P energy: -134.883 bonds (distance) P-C4' energy: -136.607 flat angles C4'-P-C4' energy: -162.174 flat angles P-C4'-P energy: -121.647 tors. eta vs tors. theta energy: -231.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2386.517754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.517754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.517754 (E_RNA) where: Base-Base interactions energy: -1621.707 where: short stacking energy: -691.503 Base-Backbone interact. energy: -3.295 local terms energy: -761.515633 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -140.364 flat angles C4'-P-C4' energy: -171.383 flat angles P-C4'-P energy: -110.814 tors. eta vs tors. theta energy: -200.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2309.092040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.092040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.092040 (E_RNA) where: Base-Base interactions energy: -1575.765 where: short stacking energy: -680.181 Base-Backbone interact. energy: -1.083 local terms energy: -732.244518 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -143.761 flat angles C4'-P-C4' energy: -162.173 flat angles P-C4'-P energy: -96.925 tors. eta vs tors. theta energy: -200.670 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: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2129.199883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.199883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.199883 (E_RNA) where: Base-Base interactions energy: -1424.584 where: short stacking energy: -625.380 Base-Backbone interact. energy: 2.572 local terms energy: -707.187039 where: bonds (distance) C4'-P energy: -128.770 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -155.124 flat angles P-C4'-P energy: -98.042 tors. eta vs tors. theta energy: -187.656 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: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1974.929431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.929431 (E_RNA) where: Base-Base interactions energy: -1309.950 where: short stacking energy: -549.324 Base-Backbone interact. energy: -2.132 local terms energy: -662.846765 where: bonds (distance) C4'-P energy: -135.523 bonds (distance) P-C4' energy: -131.395 flat angles C4'-P-C4' energy: -151.979 flat angles P-C4'-P energy: -101.059 tors. eta vs tors. theta energy: -142.890 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: 425 Temperature: 1.200000 Total energy: -1685.546343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.546343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.546343 (E_RNA) where: Base-Base interactions energy: -1103.289 where: short stacking energy: -475.325 Base-Backbone interact. energy: -0.304 local terms energy: -581.953363 where: bonds (distance) C4'-P energy: -113.830 bonds (distance) P-C4' energy: -135.854 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -67.655 tors. eta vs tors. theta energy: -117.706 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: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1177.315419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.315419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.315419 (E_RNA) where: Base-Base interactions energy: -672.011 where: short stacking energy: -330.015 Base-Backbone interact. energy: -0.079 local terms energy: -505.225086 where: bonds (distance) C4'-P energy: -117.251 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -73.754 tors. eta vs tors. theta energy: -39.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -705.760657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.760657 (E_RNA) where: Base-Base interactions energy: -319.018 where: short stacking energy: -212.009 Base-Backbone interact. energy: 6.430 local terms energy: -393.173057 where: bonds (distance) C4'-P energy: -105.527 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -127.389 flat angles P-C4'-P energy: -48.860 tors. eta vs tors. theta energy: 26.654 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: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -671.314282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.314282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.314282 (E_RNA) where: Base-Base interactions energy: -276.099 where: short stacking energy: -166.606 Base-Backbone interact. energy: -0.433 local terms energy: -394.781693 where: bonds (distance) C4'-P energy: -135.582 bonds (distance) P-C4' energy: -113.955 flat angles C4'-P-C4' energy: -102.476 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: 7.461 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2672.096917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.096917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.096917 (E_RNA) where: Base-Base interactions energy: -1821.311 where: short stacking energy: -776.597 Base-Backbone interact. energy: -0.605 local terms energy: -850.180841 where: bonds (distance) C4'-P energy: -160.481 bonds (distance) P-C4' energy: -160.537 flat angles C4'-P-C4' energy: -173.681 flat angles P-C4'-P energy: -122.169 tors. eta vs tors. theta energy: -233.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2588.079131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.079131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.079131 (E_RNA) where: Base-Base interactions energy: -1763.156 where: short stacking energy: -738.796 Base-Backbone interact. energy: -5.518 local terms energy: -819.404797 where: bonds (distance) C4'-P energy: -161.558 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -175.154 flat angles P-C4'-P energy: -120.247 tors. eta vs tors. theta energy: -227.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2407.017389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.017389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.017389 (E_RNA) where: Base-Base interactions energy: -1653.076 where: short stacking energy: -720.948 Base-Backbone interact. energy: -1.700 local terms energy: -752.240711 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -142.816 flat angles C4'-P-C4' energy: -169.479 flat angles P-C4'-P energy: -104.798 tors. eta vs tors. theta energy: -204.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2257.292528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.292528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.292528 (E_RNA) where: Base-Base interactions energy: -1507.839 where: short stacking energy: -629.822 Base-Backbone interact. energy: -0.401 local terms energy: -749.053123 where: bonds (distance) C4'-P energy: -145.419 bonds (distance) P-C4' energy: -133.730 flat angles C4'-P-C4' energy: -161.979 flat angles P-C4'-P energy: -119.840 tors. eta vs tors. theta energy: -188.086 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: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2139.994553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.994553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.994553 (E_RNA) where: Base-Base interactions energy: -1467.680 where: short stacking energy: -670.283 Base-Backbone interact. energy: -0.829 local terms energy: -671.485975 where: bonds (distance) C4'-P energy: -120.204 bonds (distance) P-C4' energy: -131.171 flat angles C4'-P-C4' energy: -138.719 flat angles P-C4'-P energy: -93.852 tors. eta vs tors. theta energy: -187.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1956.880834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.880834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.880834 (E_RNA) where: Base-Base interactions energy: -1319.994 where: short stacking energy: -555.209 Base-Backbone interact. energy: -4.367 local terms energy: -632.519123 where: bonds (distance) C4'-P energy: -135.375 bonds (distance) P-C4' energy: -137.314 flat angles C4'-P-C4' energy: -150.838 flat angles P-C4'-P energy: -74.105 tors. eta vs tors. theta energy: -134.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1698.419406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.419406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.419406 (E_RNA) where: Base-Base interactions energy: -1133.422 where: short stacking energy: -472.105 Base-Backbone interact. energy: 7.552 local terms energy: -572.549137 where: bonds (distance) C4'-P energy: -94.744 bonds (distance) P-C4' energy: -142.208 flat angles C4'-P-C4' energy: -123.279 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -113.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1225.730969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.730969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.730969 (E_RNA) where: Base-Base interactions energy: -687.313 where: short stacking energy: -342.928 Base-Backbone interact. energy: 1.533 local terms energy: -539.951044 where: bonds (distance) C4'-P energy: -120.703 bonds (distance) P-C4' energy: -136.070 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -65.848 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: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -747.860234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.860234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.860234 (E_RNA) where: Base-Base interactions energy: -357.932 where: short stacking energy: -220.826 Base-Backbone interact. energy: -2.266 local terms energy: -387.662623 where: bonds (distance) C4'-P energy: -109.937 bonds (distance) P-C4' energy: -142.418 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: 13.551 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: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -714.031926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.031926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.031926 (E_RNA) where: Base-Base interactions energy: -306.204 where: short stacking energy: -193.971 Base-Backbone interact. energy: 2.496 local terms energy: -410.323387 where: bonds (distance) C4'-P energy: -120.256 bonds (distance) P-C4' energy: -129.925 flat angles C4'-P-C4' energy: -87.186 flat angles P-C4'-P energy: -72.694 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: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2659.443334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.443334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.443334 (E_RNA) where: Base-Base interactions energy: -1827.111 where: short stacking energy: -774.762 Base-Backbone interact. energy: -2.080 local terms energy: -830.252209 where: bonds (distance) C4'-P energy: -145.186 bonds (distance) P-C4' energy: -148.679 flat angles C4'-P-C4' energy: -180.032 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -235.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2635.577902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.577902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.577902 (E_RNA) where: Base-Base interactions energy: -1829.048 where: short stacking energy: -780.313 Base-Backbone interact. energy: -4.689 local terms energy: -801.840856 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -134.605 flat angles C4'-P-C4' energy: -169.882 flat angles P-C4'-P energy: -106.112 tors. eta vs tors. theta energy: -238.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2443.208576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.208576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.208576 (E_RNA) where: Base-Base interactions energy: -1673.408 where: short stacking energy: -695.869 Base-Backbone interact. energy: -3.579 local terms energy: -766.222058 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -153.576 flat angles C4'-P-C4' energy: -180.435 flat angles P-C4'-P energy: -101.379 tors. eta vs tors. theta energy: -199.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2272.189043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.189043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.189043 (E_RNA) where: Base-Base interactions energy: -1530.329 where: short stacking energy: -640.076 Base-Backbone interact. energy: -2.655 local terms energy: -739.204914 where: bonds (distance) C4'-P energy: -148.680 bonds (distance) P-C4' energy: -140.596 flat angles C4'-P-C4' energy: -160.874 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -190.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2135.860401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.860401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.860401 (E_RNA) where: Base-Base interactions energy: -1438.209 where: short stacking energy: -627.646 Base-Backbone interact. energy: -1.528 local terms energy: -696.123794 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -135.091 flat angles C4'-P-C4' energy: -159.863 flat angles P-C4'-P energy: -93.311 tors. eta vs tors. theta energy: -188.207 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: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1891.993162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.993162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.993162 (E_RNA) where: Base-Base interactions energy: -1239.307 where: short stacking energy: -531.533 Base-Backbone interact. energy: -4.550 local terms energy: -648.135988 where: bonds (distance) C4'-P energy: -128.025 bonds (distance) P-C4' energy: -133.683 flat angles C4'-P-C4' energy: -144.801 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -142.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1751.341367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.341367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.341367 (E_RNA) where: Base-Base interactions energy: -1118.684 where: short stacking energy: -505.031 Base-Backbone interact. energy: -5.811 local terms energy: -626.846518 where: bonds (distance) C4'-P energy: -132.222 bonds (distance) P-C4' energy: -118.192 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -80.054 tors. eta vs tors. theta energy: -143.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1233.968109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.968109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.968109 (E_RNA) where: Base-Base interactions energy: -742.177 where: short stacking energy: -338.109 Base-Backbone interact. energy: 1.126 local terms energy: -492.916604 where: bonds (distance) C4'-P energy: -103.082 bonds (distance) P-C4' energy: -129.678 flat angles C4'-P-C4' energy: -128.232 flat angles P-C4'-P energy: -78.873 tors. eta vs tors. theta energy: -53.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -719.585588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.585588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.585588 (E_RNA) where: Base-Base interactions energy: -319.035 where: short stacking energy: -173.676 Base-Backbone interact. energy: -3.835 local terms energy: -396.715828 where: bonds (distance) C4'-P energy: -117.026 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: 32.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -686.136114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.136114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.136114 (E_RNA) where: Base-Base interactions energy: -289.720 where: short stacking energy: -164.837 Base-Backbone interact. energy: 1.396 local terms energy: -397.812144 where: bonds (distance) C4'-P energy: -110.587 bonds (distance) P-C4' energy: -129.170 flat angles C4'-P-C4' energy: -115.811 flat angles P-C4'-P energy: -57.395 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: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2691.831683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.831683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.831683 (E_RNA) where: Base-Base interactions energy: -1863.271 where: short stacking energy: -786.776 Base-Backbone interact. energy: -3.198 local terms energy: -825.362196 where: bonds (distance) C4'-P energy: -141.277 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -174.438 flat angles P-C4'-P energy: -112.018 tors. eta vs tors. theta energy: -234.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2615.455194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.455194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.455194 (E_RNA) where: Base-Base interactions energy: -1822.269 where: short stacking energy: -749.038 Base-Backbone interact. energy: 0.649 local terms energy: -793.835918 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -158.401 flat angles C4'-P-C4' energy: -158.873 flat angles P-C4'-P energy: -105.429 tors. eta vs tors. theta energy: -237.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2435.079407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.079407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.079407 (E_RNA) where: Base-Base interactions energy: -1670.091 where: short stacking energy: -715.113 Base-Backbone interact. energy: -2.628 local terms energy: -762.360177 where: bonds (distance) C4'-P energy: -137.677 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -167.952 flat angles P-C4'-P energy: -115.721 tors. eta vs tors. theta energy: -217.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2253.161761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.161761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.161761 (E_RNA) where: Base-Base interactions energy: -1494.157 where: short stacking energy: -648.306 Base-Backbone interact. energy: -2.778 local terms energy: -756.226922 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -153.850 flat angles C4'-P-C4' energy: -162.118 flat angles P-C4'-P energy: -107.122 tors. eta vs tors. theta energy: -181.684 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: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2173.196987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.196987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.196987 (E_RNA) where: Base-Base interactions energy: -1490.626 where: short stacking energy: -631.620 Base-Backbone interact. energy: -0.732 local terms energy: -681.838355 where: bonds (distance) C4'-P energy: -125.577 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -147.202 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -180.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1894.789460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.789460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.789460 (E_RNA) where: Base-Base interactions energy: -1256.112 where: short stacking energy: -561.769 Base-Backbone interact. energy: 1.206 local terms energy: -639.883452 where: bonds (distance) C4'-P energy: -112.683 bonds (distance) P-C4' energy: -134.374 flat angles C4'-P-C4' energy: -149.524 flat angles P-C4'-P energy: -78.368 tors. eta vs tors. theta energy: -164.935 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: 428 Temperature: 1.200000 Total energy: -1699.234493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.234493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.234493 (E_RNA) where: Base-Base interactions energy: -1109.856 where: short stacking energy: -477.806 Base-Backbone interact. energy: 1.286 local terms energy: -590.665207 where: bonds (distance) C4'-P energy: -127.573 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -135.263 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: -109.301 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: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1191.976175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.976175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.976175 (E_RNA) where: Base-Base interactions energy: -708.195 where: short stacking energy: -320.358 Base-Backbone interact. energy: 0.730 local terms energy: -484.511385 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -134.824 flat angles P-C4'-P energy: -61.012 tors. eta vs tors. theta energy: -51.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -737.110865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.110865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.110865 (E_RNA) where: Base-Base interactions energy: -348.129 where: short stacking energy: -198.892 Base-Backbone interact. energy: -4.201 local terms energy: -384.781280 where: bonds (distance) C4'-P energy: -89.899 bonds (distance) P-C4' energy: -140.022 flat angles C4'-P-C4' energy: -89.616 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -640.640743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.640743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.640743 (E_RNA) where: Base-Base interactions energy: -261.416 where: short stacking energy: -150.350 Base-Backbone interact. energy: -1.409 local terms energy: -377.816007 where: bonds (distance) C4'-P energy: -130.414 bonds (distance) P-C4' energy: -129.700 flat angles C4'-P-C4' energy: -111.793 flat angles P-C4'-P energy: -39.843 tors. eta vs tors. theta energy: 33.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2658.040466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.040466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.040466 (E_RNA) where: Base-Base interactions energy: -1850.585 where: short stacking energy: -754.125 Base-Backbone interact. energy: -3.757 local terms energy: -803.698013 where: bonds (distance) C4'-P energy: -148.096 bonds (distance) P-C4' energy: -154.479 flat angles C4'-P-C4' energy: -172.529 flat angles P-C4'-P energy: -96.484 tors. eta vs tors. theta energy: -232.110 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: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2634.758855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.758855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.758855 (E_RNA) where: Base-Base interactions energy: -1800.934 where: short stacking energy: -756.031 Base-Backbone interact. energy: -2.525 local terms energy: -831.300070 where: bonds (distance) C4'-P energy: -143.307 bonds (distance) P-C4' energy: -159.032 flat angles C4'-P-C4' energy: -184.299 flat angles P-C4'-P energy: -108.204 tors. eta vs tors. theta energy: -236.458 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: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2385.288790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.288790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.288790 (E_RNA) where: Base-Base interactions energy: -1643.453 where: short stacking energy: -699.383 Base-Backbone interact. energy: 1.904 local terms energy: -743.740214 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -152.174 flat angles P-C4'-P energy: -101.840 tors. eta vs tors. theta energy: -203.334 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: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2253.116401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.116401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.116401 (E_RNA) where: Base-Base interactions energy: -1524.859 where: short stacking energy: -651.922 Base-Backbone interact. energy: -1.816 local terms energy: -726.441582 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -156.939 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -197.844 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: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2163.178900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.178900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.178900 (E_RNA) where: Base-Base interactions energy: -1459.474 where: short stacking energy: -630.622 Base-Backbone interact. energy: 0.585 local terms energy: -704.290253 where: bonds (distance) C4'-P energy: -134.186 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -156.106 flat angles P-C4'-P energy: -107.553 tors. eta vs tors. theta energy: -174.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1904.091100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.091100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.091100 (E_RNA) where: Base-Base interactions energy: -1274.958 where: short stacking energy: -547.694 Base-Backbone interact. energy: -3.638 local terms energy: -625.495327 where: bonds (distance) C4'-P energy: -119.694 bonds (distance) P-C4' energy: -141.368 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -80.426 tors. eta vs tors. theta energy: -156.471 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: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1750.678514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.678514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.678514 (E_RNA) where: Base-Base interactions energy: -1189.881 where: short stacking energy: -507.557 Base-Backbone interact. energy: -2.978 local terms energy: -557.818908 where: bonds (distance) C4'-P energy: -123.033 bonds (distance) P-C4' energy: -102.380 flat angles C4'-P-C4' energy: -133.974 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -122.946 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1261.604175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.604175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.604175 (E_RNA) where: Base-Base interactions energy: -768.819 where: short stacking energy: -338.846 Base-Backbone interact. energy: -0.819 local terms energy: -491.966686 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -125.561 flat angles C4'-P-C4' energy: -121.329 flat angles P-C4'-P energy: -66.864 tors. eta vs tors. theta energy: -63.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -731.446938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.446938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.446938 (E_RNA) where: Base-Base interactions energy: -311.040 where: short stacking energy: -186.728 Base-Backbone interact. energy: -1.391 local terms energy: -419.016013 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -128.468 flat angles C4'-P-C4' energy: -98.245 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: 4.734 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: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -649.733233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.733233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.733233 (E_RNA) where: Base-Base interactions energy: -278.144 where: short stacking energy: -161.827 Base-Backbone interact. energy: 0.714 local terms energy: -372.303562 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -122.881 flat angles C4'-P-C4' energy: -110.498 flat angles P-C4'-P energy: -59.079 tors. eta vs tors. theta energy: 17.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2678.351708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.351708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.351708 (E_RNA) where: Base-Base interactions energy: -1861.438 where: short stacking energy: -793.002 Base-Backbone interact. energy: -3.677 local terms energy: -813.236519 where: bonds (distance) C4'-P energy: -134.194 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -166.547 flat angles P-C4'-P energy: -117.237 tors. eta vs tors. theta energy: -241.247 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: 430 Temperature: 0.950000 Total energy: -2640.083928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.083928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.083928 (E_RNA) where: Base-Base interactions energy: -1817.708 where: short stacking energy: -749.545 Base-Backbone interact. energy: 2.380 local terms energy: -824.756580 where: bonds (distance) C4'-P energy: -156.827 bonds (distance) P-C4' energy: -157.043 flat angles C4'-P-C4' energy: -163.142 flat angles P-C4'-P energy: -111.130 tors. eta vs tors. theta energy: -236.615 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: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2428.261336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.261336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.261336 (E_RNA) where: Base-Base interactions energy: -1625.091 where: short stacking energy: -685.433 Base-Backbone interact. energy: -2.471 local terms energy: -800.699411 where: bonds (distance) C4'-P energy: -147.335 bonds (distance) P-C4' energy: -152.895 flat angles C4'-P-C4' energy: -164.248 flat angles P-C4'-P energy: -125.604 tors. eta vs tors. theta energy: -210.618 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: 430 Temperature: 1.050000 Total energy: -2267.066035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.066035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.066035 (E_RNA) where: Base-Base interactions energy: -1540.566 where: short stacking energy: -667.723 Base-Backbone interact. energy: -1.620 local terms energy: -724.880810 where: bonds (distance) C4'-P energy: -127.480 bonds (distance) P-C4' energy: -139.172 flat angles C4'-P-C4' energy: -172.188 flat angles P-C4'-P energy: -89.372 tors. eta vs tors. theta energy: -196.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2125.812666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.812666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.812666 (E_RNA) where: Base-Base interactions energy: -1411.471 where: short stacking energy: -612.792 Base-Backbone interact. energy: -1.427 local terms energy: -712.915537 where: bonds (distance) C4'-P energy: -118.957 bonds (distance) P-C4' energy: -140.680 flat angles C4'-P-C4' energy: -173.597 flat angles P-C4'-P energy: -109.079 tors. eta vs tors. theta energy: -170.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1924.317364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.317364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.317364 (E_RNA) where: Base-Base interactions energy: -1270.741 where: short stacking energy: -540.063 Base-Backbone interact. energy: 8.294 local terms energy: -661.870186 where: bonds (distance) C4'-P energy: -130.247 bonds (distance) P-C4' energy: -147.569 flat angles C4'-P-C4' energy: -157.664 flat angles P-C4'-P energy: -77.273 tors. eta vs tors. theta energy: -149.117 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: 430 Temperature: 1.200000 Total energy: -1700.588688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.588688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.588688 (E_RNA) where: Base-Base interactions energy: -1068.232 where: short stacking energy: -467.540 Base-Backbone interact. energy: -4.539 local terms energy: -627.818300 where: bonds (distance) C4'-P energy: -126.609 bonds (distance) P-C4' energy: -142.960 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -91.228 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1265.408140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.408140 (E_RNA) where: Base-Base interactions energy: -747.425 where: short stacking energy: -345.567 Base-Backbone interact. energy: -1.693 local terms energy: -516.289332 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -139.941 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -77.623 tors. eta vs tors. theta energy: -68.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -794.029673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.029673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.029673 (E_RNA) where: Base-Base interactions energy: -372.636 where: short stacking energy: -236.256 Base-Backbone interact. energy: 3.375 local terms energy: -424.768025 where: bonds (distance) C4'-P energy: -123.924 bonds (distance) P-C4' energy: -126.987 flat angles C4'-P-C4' energy: -88.854 flat angles P-C4'-P energy: -75.420 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: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -610.552335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.552335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.552335 (E_RNA) where: Base-Base interactions energy: -251.896 where: short stacking energy: -152.216 Base-Backbone interact. energy: 2.768 local terms energy: -361.424972 where: bonds (distance) C4'-P energy: -124.660 bonds (distance) P-C4' energy: -121.633 flat angles C4'-P-C4' energy: -92.627 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: 30.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2681.947249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.947249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.947249 (E_RNA) where: Base-Base interactions energy: -1856.526 where: short stacking energy: -786.193 Base-Backbone interact. energy: 4.100 local terms energy: -829.520959 where: bonds (distance) C4'-P energy: -142.933 bonds (distance) P-C4' energy: -137.569 flat angles C4'-P-C4' energy: -179.231 flat angles P-C4'-P energy: -124.121 tors. eta vs tors. theta energy: -245.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2615.894896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.894896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.894896 (E_RNA) where: Base-Base interactions energy: -1814.002 where: short stacking energy: -757.889 Base-Backbone interact. energy: -3.322 local terms energy: -798.570785 where: bonds (distance) C4'-P energy: -141.235 bonds (distance) P-C4' energy: -155.755 flat angles C4'-P-C4' energy: -160.232 flat angles P-C4'-P energy: -115.027 tors. eta vs tors. theta energy: -226.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2402.533777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.533777 (E_RNA) where: Base-Base interactions energy: -1631.692 where: short stacking energy: -715.247 Base-Backbone interact. energy: -0.312 local terms energy: -770.529991 where: bonds (distance) C4'-P energy: -127.137 bonds (distance) P-C4' energy: -141.698 flat angles C4'-P-C4' energy: -169.155 flat angles P-C4'-P energy: -110.110 tors. eta vs tors. theta energy: -222.429 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: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2229.109674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.109674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.109674 (E_RNA) where: Base-Base interactions energy: -1548.714 where: short stacking energy: -654.872 Base-Backbone interact. energy: -1.946 local terms energy: -678.449579 where: bonds (distance) C4'-P energy: -130.010 bonds (distance) P-C4' energy: -126.771 flat angles C4'-P-C4' energy: -144.352 flat angles P-C4'-P energy: -88.369 tors. eta vs tors. theta energy: -188.948 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: 5, replica: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2097.544504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.544504 (E_RNA) where: Base-Base interactions energy: -1413.559 where: short stacking energy: -621.337 Base-Backbone interact. energy: 0.162 local terms energy: -684.147425 where: bonds (distance) C4'-P energy: -131.751 bonds (distance) P-C4' energy: -128.983 flat angles C4'-P-C4' energy: -150.014 flat angles P-C4'-P energy: -107.022 tors. eta vs tors. theta energy: -166.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1990.852727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.852727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.852727 (E_RNA) where: Base-Base interactions energy: -1365.707 where: short stacking energy: -573.055 Base-Backbone interact. energy: 0.621 local terms energy: -625.766860 where: bonds (distance) C4'-P energy: -105.172 bonds (distance) P-C4' energy: -123.141 flat angles C4'-P-C4' energy: -149.618 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: -166.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1718.238748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.238748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.238748 (E_RNA) where: Base-Base interactions energy: -1092.002 where: short stacking energy: -473.366 Base-Backbone interact. energy: 0.550 local terms energy: -626.786938 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -138.851 flat angles C4'-P-C4' energy: -139.544 flat angles P-C4'-P energy: -85.173 tors. eta vs tors. theta energy: -125.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1286.363535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.363535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.363535 (E_RNA) where: Base-Base interactions energy: -756.396 where: short stacking energy: -346.011 Base-Backbone interact. energy: -2.460 local terms energy: -527.507638 where: bonds (distance) C4'-P energy: -121.891 bonds (distance) P-C4' energy: -138.457 flat angles C4'-P-C4' energy: -129.139 flat angles P-C4'-P energy: -83.963 tors. eta vs tors. theta energy: -54.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -816.933050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.933050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.933050 (E_RNA) where: Base-Base interactions energy: -399.351 where: short stacking energy: -217.877 Base-Backbone interact. energy: 8.982 local terms energy: -426.563798 where: bonds (distance) C4'-P energy: -135.598 bonds (distance) P-C4' energy: -134.839 flat angles C4'-P-C4' energy: -99.981 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: 6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -617.555468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.555468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.555468 (E_RNA) where: Base-Base interactions energy: -244.222 where: short stacking energy: -178.639 Base-Backbone interact. energy: -1.568 local terms energy: -371.765511 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -128.800 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: 36.581 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: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2660.688130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.688130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.688130 (E_RNA) where: Base-Base interactions energy: -1823.383 where: short stacking energy: -752.608 Base-Backbone interact. energy: -2.271 local terms energy: -835.034097 where: bonds (distance) C4'-P energy: -155.715 bonds (distance) P-C4' energy: -162.437 flat angles C4'-P-C4' energy: -180.438 flat angles P-C4'-P energy: -109.118 tors. eta vs tors. theta energy: -227.327 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: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2632.859304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.859304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.859304 (E_RNA) where: Base-Base interactions energy: -1815.081 where: short stacking energy: -769.859 Base-Backbone interact. energy: -6.017 local terms energy: -811.760527 where: bonds (distance) C4'-P energy: -140.487 bonds (distance) P-C4' energy: -144.988 flat angles C4'-P-C4' energy: -181.022 flat angles P-C4'-P energy: -110.221 tors. eta vs tors. theta energy: -235.042 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: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2448.277586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.277586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.277586 (E_RNA) where: Base-Base interactions energy: -1679.209 where: short stacking energy: -705.305 Base-Backbone interact. energy: -0.058 local terms energy: -769.010644 where: bonds (distance) C4'-P energy: -145.527 bonds (distance) P-C4' energy: -142.733 flat angles C4'-P-C4' energy: -175.855 flat angles P-C4'-P energy: -102.188 tors. eta vs tors. theta energy: -202.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2214.051077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.051077 (E_RNA) where: Base-Base interactions energy: -1500.450 where: short stacking energy: -662.739 Base-Backbone interact. energy: -3.810 local terms energy: -709.791051 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -133.439 flat angles C4'-P-C4' energy: -154.431 flat angles P-C4'-P energy: -100.391 tors. eta vs tors. theta energy: -192.846 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: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2140.138652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.138652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.138652 (E_RNA) where: Base-Base interactions energy: -1428.153 where: short stacking energy: -598.304 Base-Backbone interact. energy: 0.054 local terms energy: -712.039858 where: bonds (distance) C4'-P energy: -139.223 bonds (distance) P-C4' energy: -143.125 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -110.570 tors. eta vs tors. theta energy: -171.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1897.715923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.715923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.715923 (E_RNA) where: Base-Base interactions energy: -1269.170 where: short stacking energy: -518.469 Base-Backbone interact. energy: 1.739 local terms energy: -630.285104 where: bonds (distance) C4'-P energy: -134.949 bonds (distance) P-C4' energy: -151.968 flat angles C4'-P-C4' energy: -128.852 flat angles P-C4'-P energy: -72.475 tors. eta vs tors. theta energy: -142.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1710.497836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.497836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.497836 (E_RNA) where: Base-Base interactions energy: -1087.392 where: short stacking energy: -487.123 Base-Backbone interact. energy: -4.138 local terms energy: -618.968115 where: bonds (distance) C4'-P energy: -123.764 bonds (distance) P-C4' energy: -137.269 flat angles C4'-P-C4' energy: -142.016 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -123.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1324.038649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.038649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.038649 (E_RNA) where: Base-Base interactions energy: -828.965 where: short stacking energy: -370.056 Base-Backbone interact. energy: -0.934 local terms energy: -494.139690 where: bonds (distance) C4'-P energy: -117.037 bonds (distance) P-C4' energy: -124.039 flat angles C4'-P-C4' energy: -127.096 flat angles P-C4'-P energy: -65.373 tors. eta vs tors. theta energy: -60.595 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: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -854.481357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.481357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.481357 (E_RNA) where: Base-Base interactions energy: -450.936 where: short stacking energy: -243.707 Base-Backbone interact. energy: 4.588 local terms energy: -408.133331 where: bonds (distance) C4'-P energy: -121.821 bonds (distance) P-C4' energy: -128.226 flat angles C4'-P-C4' energy: -114.265 flat angles P-C4'-P energy: -61.098 tors. eta vs tors. theta energy: 17.278 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: 432 Temperature: 1.350000 Total energy: -608.234333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.234333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.234333 (E_RNA) where: Base-Base interactions energy: -241.785 where: short stacking energy: -132.409 Base-Backbone interact. energy: 1.363 local terms energy: -367.811698 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -123.091 flat angles C4'-P-C4' energy: -103.095 flat angles P-C4'-P energy: -61.667 tors. eta vs tors. theta energy: 39.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2662.225608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.225608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.225608 (E_RNA) where: Base-Base interactions energy: -1835.811 where: short stacking energy: -761.979 Base-Backbone interact. energy: -4.684 local terms energy: -821.731107 where: bonds (distance) C4'-P energy: -152.899 bonds (distance) P-C4' energy: -142.004 flat angles C4'-P-C4' energy: -173.002 flat angles P-C4'-P energy: -124.533 tors. eta vs tors. theta energy: -229.292 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: 433 Temperature: 0.950000 Total energy: -2596.098639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.098639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.098639 (E_RNA) where: Base-Base interactions energy: -1805.025 where: short stacking energy: -727.559 Base-Backbone interact. energy: -5.166 local terms energy: -785.908033 where: bonds (distance) C4'-P energy: -140.977 bonds (distance) P-C4' energy: -147.899 flat angles C4'-P-C4' energy: -173.182 flat angles P-C4'-P energy: -94.675 tors. eta vs tors. theta energy: -229.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2447.810978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.810978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.810978 (E_RNA) where: Base-Base interactions energy: -1658.384 where: short stacking energy: -683.951 Base-Backbone interact. energy: -3.632 local terms energy: -785.795436 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -157.706 flat angles C4'-P-C4' energy: -165.270 flat angles P-C4'-P energy: -109.290 tors. eta vs tors. theta energy: -212.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2227.392566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.392566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.392566 (E_RNA) where: Base-Base interactions energy: -1469.281 where: short stacking energy: -659.563 Base-Backbone interact. energy: 4.312 local terms energy: -762.423108 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -147.819 flat angles C4'-P-C4' energy: -160.235 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -203.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2104.288376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.288376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.288376 (E_RNA) where: Base-Base interactions energy: -1413.241 where: short stacking energy: -598.017 Base-Backbone interact. energy: -1.724 local terms energy: -689.323231 where: bonds (distance) C4'-P energy: -123.835 bonds (distance) P-C4' energy: -131.305 flat angles C4'-P-C4' energy: -166.080 flat angles P-C4'-P energy: -109.487 tors. eta vs tors. theta energy: -158.616 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: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1934.388097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.388097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.388097 (E_RNA) where: Base-Base interactions energy: -1303.887 where: short stacking energy: -548.838 Base-Backbone interact. energy: 0.190 local terms energy: -630.691513 where: bonds (distance) C4'-P energy: -122.445 bonds (distance) P-C4' energy: -128.131 flat angles C4'-P-C4' energy: -151.835 flat angles P-C4'-P energy: -83.025 tors. eta vs tors. theta energy: -145.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1718.876507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.876507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.876507 (E_RNA) where: Base-Base interactions energy: -1098.929 where: short stacking energy: -482.058 Base-Backbone interact. energy: -0.696 local terms energy: -619.251646 where: bonds (distance) C4'-P energy: -125.118 bonds (distance) P-C4' energy: -132.349 flat angles C4'-P-C4' energy: -143.376 flat angles P-C4'-P energy: -90.546 tors. eta vs tors. theta energy: -127.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1323.785001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.785001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.785001 (E_RNA) where: Base-Base interactions energy: -813.383 where: short stacking energy: -367.069 Base-Backbone interact. energy: -0.602 local terms energy: -509.799899 where: bonds (distance) C4'-P energy: -107.252 bonds (distance) P-C4' energy: -134.282 flat angles C4'-P-C4' energy: -135.378 flat angles P-C4'-P energy: -71.232 tors. eta vs tors. theta energy: -61.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -860.758441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.758441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.758441 (E_RNA) where: Base-Base interactions energy: -431.780 where: short stacking energy: -241.855 Base-Backbone interact. energy: -0.471 local terms energy: -428.507291 where: bonds (distance) C4'-P energy: -103.621 bonds (distance) P-C4' energy: -137.226 flat angles C4'-P-C4' energy: -101.592 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -16.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -661.703168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.703168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.703168 (E_RNA) where: Base-Base interactions energy: -299.551 where: short stacking energy: -191.807 Base-Backbone interact. energy: 3.245 local terms energy: -365.397216 where: bonds (distance) C4'-P energy: -112.902 bonds (distance) P-C4' energy: -126.209 flat angles C4'-P-C4' energy: -98.772 flat angles P-C4'-P energy: -46.006 tors. eta vs tors. theta energy: 18.492 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: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2683.760038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.760038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.760038 (E_RNA) where: Base-Base interactions energy: -1840.894 where: short stacking energy: -761.435 Base-Backbone interact. energy: -2.980 local terms energy: -839.886820 where: bonds (distance) C4'-P energy: -145.210 bonds (distance) P-C4' energy: -165.351 flat angles C4'-P-C4' energy: -178.956 flat angles P-C4'-P energy: -111.602 tors. eta vs tors. theta energy: -238.767 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: 434 Temperature: 0.950000 Total energy: -2640.384525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.384525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.384525 (E_RNA) where: Base-Base interactions energy: -1826.177 where: short stacking energy: -751.941 Base-Backbone interact. energy: 1.431 local terms energy: -815.639068 where: bonds (distance) C4'-P energy: -144.988 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -162.516 flat angles P-C4'-P energy: -128.894 tors. eta vs tors. theta energy: -229.815 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: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2435.225512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.225512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.225512 (E_RNA) where: Base-Base interactions energy: -1667.889 where: short stacking energy: -720.331 Base-Backbone interact. energy: -1.617 local terms energy: -765.719409 where: bonds (distance) C4'-P energy: -132.902 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -161.189 flat angles P-C4'-P energy: -110.266 tors. eta vs tors. theta energy: -214.025 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: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2252.988988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.988988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.988988 (E_RNA) where: Base-Base interactions energy: -1542.323 where: short stacking energy: -669.312 Base-Backbone interact. energy: -0.333 local terms energy: -710.333185 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -138.456 flat angles C4'-P-C4' energy: -150.594 flat angles P-C4'-P energy: -102.321 tors. eta vs tors. theta energy: -179.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2073.729797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.729797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.729797 (E_RNA) where: Base-Base interactions energy: -1391.107 where: short stacking energy: -597.757 Base-Backbone interact. energy: 0.945 local terms energy: -683.567760 where: bonds (distance) C4'-P energy: -138.158 bonds (distance) P-C4' energy: -136.199 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -156.597 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: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1899.391919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.391919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.391919 (E_RNA) where: Base-Base interactions energy: -1264.562 where: short stacking energy: -507.281 Base-Backbone interact. energy: -2.823 local terms energy: -632.006443 where: bonds (distance) C4'-P energy: -133.417 bonds (distance) P-C4' energy: -141.102 flat angles C4'-P-C4' energy: -155.813 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -120.349 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: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1769.921968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.921968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.921968 (E_RNA) where: Base-Base interactions energy: -1157.902 where: short stacking energy: -505.248 Base-Backbone interact. energy: -3.282 local terms energy: -608.737950 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -121.134 flat angles C4'-P-C4' energy: -139.950 flat angles P-C4'-P energy: -83.011 tors. eta vs tors. theta energy: -124.220 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: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1300.822909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.822909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.822909 (E_RNA) where: Base-Base interactions energy: -801.858 where: short stacking energy: -365.734 Base-Backbone interact. energy: 1.701 local terms energy: -500.665347 where: bonds (distance) C4'-P energy: -122.891 bonds (distance) P-C4' energy: -126.566 flat angles C4'-P-C4' energy: -124.254 flat angles P-C4'-P energy: -68.477 tors. eta vs tors. theta energy: -58.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -842.857548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.857548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.857548 (E_RNA) where: Base-Base interactions energy: -400.029 where: short stacking energy: -187.788 Base-Backbone interact. energy: -4.528 local terms energy: -438.300774 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -138.441 flat angles C4'-P-C4' energy: -108.309 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -11.562 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: 434 Temperature: 1.350000 Total energy: -609.332829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.332829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.332829 (E_RNA) where: Base-Base interactions energy: -241.160 where: short stacking energy: -139.903 Base-Backbone interact. energy: 3.068 local terms energy: -371.241530 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -131.696 flat angles C4'-P-C4' energy: -95.116 flat angles P-C4'-P energy: -63.528 tors. eta vs tors. theta energy: 41.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2675.391889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.391889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.391889 (E_RNA) where: Base-Base interactions energy: -1853.293 where: short stacking energy: -754.282 Base-Backbone interact. energy: 1.200 local terms energy: -823.299303 where: bonds (distance) C4'-P energy: -154.968 bonds (distance) P-C4' energy: -161.849 flat angles C4'-P-C4' energy: -168.961 flat angles P-C4'-P energy: -113.858 tors. eta vs tors. theta energy: -223.663 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: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2613.045345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.045345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.045345 (E_RNA) where: Base-Base interactions energy: -1800.167 where: short stacking energy: -742.026 Base-Backbone interact. energy: -1.949 local terms energy: -810.929198 where: bonds (distance) C4'-P energy: -149.062 bonds (distance) P-C4' energy: -153.217 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -113.166 tors. eta vs tors. theta energy: -222.281 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: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2440.058657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.058657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.058657 (E_RNA) where: Base-Base interactions energy: -1680.314 where: short stacking energy: -724.305 Base-Backbone interact. energy: -2.702 local terms energy: -757.042794 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -136.126 flat angles C4'-P-C4' energy: -163.594 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -210.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2270.153066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.153066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.153066 (E_RNA) where: Base-Base interactions energy: -1512.815 where: short stacking energy: -658.281 Base-Backbone interact. energy: -0.231 local terms energy: -757.106722 where: bonds (distance) C4'-P energy: -127.906 bonds (distance) P-C4' energy: -136.823 flat angles C4'-P-C4' energy: -169.848 flat angles P-C4'-P energy: -114.215 tors. eta vs tors. theta energy: -208.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2112.371560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.371560 (E_RNA) where: Base-Base interactions energy: -1416.062 where: short stacking energy: -594.697 Base-Backbone interact. energy: -3.041 local terms energy: -693.268183 where: bonds (distance) C4'-P energy: -142.685 bonds (distance) P-C4' energy: -132.112 flat angles C4'-P-C4' energy: -152.374 flat angles P-C4'-P energy: -97.858 tors. eta vs tors. theta energy: -168.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1892.553747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.553747 (E_RNA) where: Base-Base interactions energy: -1246.302 where: short stacking energy: -525.389 Base-Backbone interact. energy: -3.747 local terms energy: -642.505041 where: bonds (distance) C4'-P energy: -146.135 bonds (distance) P-C4' energy: -120.834 flat angles C4'-P-C4' energy: -146.442 flat angles P-C4'-P energy: -84.853 tors. eta vs tors. theta energy: -144.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1770.473514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.473514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.473514 (E_RNA) where: Base-Base interactions energy: -1138.975 where: short stacking energy: -494.091 Base-Backbone interact. energy: -0.242 local terms energy: -631.257172 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -142.591 flat angles P-C4'-P energy: -93.808 tors. eta vs tors. theta energy: -127.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1312.011083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.011083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.011083 (E_RNA) where: Base-Base interactions energy: -793.413 where: short stacking energy: -362.085 Base-Backbone interact. energy: -2.499 local terms energy: -516.099420 where: bonds (distance) C4'-P energy: -120.265 bonds (distance) P-C4' energy: -138.408 flat angles C4'-P-C4' energy: -132.862 flat angles P-C4'-P energy: -67.712 tors. eta vs tors. theta energy: -56.853 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: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -849.023933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.023933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.023933 (E_RNA) where: Base-Base interactions energy: -436.155 where: short stacking energy: -250.067 Base-Backbone interact. energy: -0.720 local terms energy: -412.148024 where: bonds (distance) C4'-P energy: -115.405 bonds (distance) P-C4' energy: -127.895 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -643.271032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.271032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.271032 (E_RNA) where: Base-Base interactions energy: -258.098 where: short stacking energy: -167.723 Base-Backbone interact. energy: -1.777 local terms energy: -383.395979 where: bonds (distance) C4'-P energy: -126.478 bonds (distance) P-C4' energy: -119.025 flat angles C4'-P-C4' energy: -98.919 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: 27.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2712.852592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.852592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.852592 (E_RNA) where: Base-Base interactions energy: -1875.341 where: short stacking energy: -778.999 Base-Backbone interact. energy: -7.415 local terms energy: -830.096423 where: bonds (distance) C4'-P energy: -166.987 bonds (distance) P-C4' energy: -140.033 flat angles C4'-P-C4' energy: -172.899 flat angles P-C4'-P energy: -116.274 tors. eta vs tors. theta energy: -233.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2612.704671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.704671 (E_RNA) where: Base-Base interactions energy: -1804.778 where: short stacking energy: -738.636 Base-Backbone interact. energy: -6.217 local terms energy: -801.709585 where: bonds (distance) C4'-P energy: -133.956 bonds (distance) P-C4' energy: -153.190 flat angles C4'-P-C4' energy: -169.256 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -236.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2445.642152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.642152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.642152 (E_RNA) where: Base-Base interactions energy: -1669.589 where: short stacking energy: -714.924 Base-Backbone interact. energy: -2.334 local terms energy: -773.719012 where: bonds (distance) C4'-P energy: -140.855 bonds (distance) P-C4' energy: -128.825 flat angles C4'-P-C4' energy: -178.692 flat angles P-C4'-P energy: -111.596 tors. eta vs tors. theta energy: -213.750 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: 436 Temperature: 1.050000 Total energy: -2272.708955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.708955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.708955 (E_RNA) where: Base-Base interactions energy: -1522.144 where: short stacking energy: -650.807 Base-Backbone interact. energy: -1.508 local terms energy: -749.057633 where: bonds (distance) C4'-P energy: -136.450 bonds (distance) P-C4' energy: -149.297 flat angles C4'-P-C4' energy: -156.661 flat angles P-C4'-P energy: -117.859 tors. eta vs tors. theta energy: -188.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2153.650114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.650114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.650114 (E_RNA) where: Base-Base interactions energy: -1470.879 where: short stacking energy: -646.410 Base-Backbone interact. energy: 2.422 local terms energy: -685.192962 where: bonds (distance) C4'-P energy: -124.319 bonds (distance) P-C4' energy: -134.168 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -171.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1807.547058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.547058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.547058 (E_RNA) where: Base-Base interactions energy: -1224.232 where: short stacking energy: -519.413 Base-Backbone interact. energy: 0.821 local terms energy: -584.135751 where: bonds (distance) C4'-P energy: -119.608 bonds (distance) P-C4' energy: -144.875 flat angles C4'-P-C4' energy: -125.611 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -121.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1741.122992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.122992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.122992 (E_RNA) where: Base-Base interactions energy: -1126.777 where: short stacking energy: -493.559 Base-Backbone interact. energy: -2.296 local terms energy: -612.049745 where: bonds (distance) C4'-P energy: -125.565 bonds (distance) P-C4' energy: -128.225 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -89.659 tors. eta vs tors. theta energy: -116.945 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: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1365.101057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.101057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.101057 (E_RNA) where: Base-Base interactions energy: -835.970 where: short stacking energy: -383.002 Base-Backbone interact. energy: 1.492 local terms energy: -530.623254 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -126.907 flat angles C4'-P-C4' energy: -132.328 flat angles P-C4'-P energy: -88.707 tors. eta vs tors. theta energy: -67.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -816.510925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.510925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.510925 (E_RNA) where: Base-Base interactions energy: -366.497 where: short stacking energy: -231.943 Base-Backbone interact. energy: 2.865 local terms energy: -452.878963 where: bonds (distance) C4'-P energy: -112.697 bonds (distance) P-C4' energy: -129.127 flat angles C4'-P-C4' energy: -134.526 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -21.371 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: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -644.782321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.782321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.782321 (E_RNA) where: Base-Base interactions energy: -281.037 where: short stacking energy: -169.633 Base-Backbone interact. energy: -0.790 local terms energy: -362.955666 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -124.617 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: 23.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2677.032920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.032920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.032920 (E_RNA) where: Base-Base interactions energy: -1858.749 where: short stacking energy: -784.351 Base-Backbone interact. energy: -3.479 local terms energy: -814.804759 where: bonds (distance) C4'-P energy: -156.370 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -170.217 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -241.891 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: 2, replica: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2617.687514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.687514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.687514 (E_RNA) where: Base-Base interactions energy: -1846.363 where: short stacking energy: -753.635 Base-Backbone interact. energy: 0.090 local terms energy: -771.414055 where: bonds (distance) C4'-P energy: -139.580 bonds (distance) P-C4' energy: -141.212 flat angles C4'-P-C4' energy: -156.385 flat angles P-C4'-P energy: -105.452 tors. eta vs tors. theta energy: -228.784 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: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2430.125269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.125269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.125269 (E_RNA) where: Base-Base interactions energy: -1646.842 where: short stacking energy: -699.052 Base-Backbone interact. energy: 0.824 local terms energy: -784.106535 where: bonds (distance) C4'-P energy: -145.030 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -167.656 flat angles P-C4'-P energy: -106.769 tors. eta vs tors. theta energy: -208.009 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: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2246.542966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.542966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.542966 (E_RNA) where: Base-Base interactions energy: -1529.824 where: short stacking energy: -668.719 Base-Backbone interact. energy: 1.077 local terms energy: -717.795407 where: bonds (distance) C4'-P energy: -135.034 bonds (distance) P-C4' energy: -142.863 flat angles C4'-P-C4' energy: -150.767 flat angles P-C4'-P energy: -97.201 tors. eta vs tors. theta energy: -191.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2102.046912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.046912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.046912 (E_RNA) where: Base-Base interactions energy: -1413.357 where: short stacking energy: -605.003 Base-Backbone interact. energy: -2.827 local terms energy: -685.863701 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -127.462 flat angles C4'-P-C4' energy: -168.616 flat angles P-C4'-P energy: -98.589 tors. eta vs tors. theta energy: -162.985 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: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1835.298355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.298355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.298355 (E_RNA) where: Base-Base interactions energy: -1214.809 where: short stacking energy: -530.263 Base-Backbone interact. energy: 0.707 local terms energy: -621.196035 where: bonds (distance) C4'-P energy: -138.361 bonds (distance) P-C4' energy: -123.212 flat angles C4'-P-C4' energy: -140.666 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -147.748 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: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1729.426603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.426603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.426603 (E_RNA) where: Base-Base interactions energy: -1112.907 where: short stacking energy: -501.010 Base-Backbone interact. energy: -1.329 local terms energy: -615.190444 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -159.210 flat angles P-C4'-P energy: -76.909 tors. eta vs tors. theta energy: -127.046 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: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1385.058509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.058509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.058509 (E_RNA) where: Base-Base interactions energy: -831.573 where: short stacking energy: -383.950 Base-Backbone interact. energy: -3.864 local terms energy: -549.622021 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -134.766 flat angles C4'-P-C4' energy: -126.676 flat angles P-C4'-P energy: -87.017 tors. eta vs tors. theta energy: -82.082 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: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -801.213296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.213296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.213296 (E_RNA) where: Base-Base interactions energy: -380.144 where: short stacking energy: -217.627 Base-Backbone interact. energy: 3.144 local terms energy: -424.213395 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -129.421 flat angles C4'-P-C4' energy: -103.751 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: 1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -612.147698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.147698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.147698 (E_RNA) where: Base-Base interactions energy: -236.906 where: short stacking energy: -145.544 Base-Backbone interact. energy: -2.769 local terms energy: -372.472721 where: bonds (distance) C4'-P energy: -126.160 bonds (distance) P-C4' energy: -134.141 flat angles C4'-P-C4' energy: -103.562 flat angles P-C4'-P energy: -37.486 tors. eta vs tors. theta energy: 28.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2644.402020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.402020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.402020 (E_RNA) where: Base-Base interactions energy: -1808.821 where: short stacking energy: -734.077 Base-Backbone interact. energy: -2.360 local terms energy: -833.220975 where: bonds (distance) C4'-P energy: -153.761 bonds (distance) P-C4' energy: -151.229 flat angles C4'-P-C4' energy: -175.404 flat angles P-C4'-P energy: -119.134 tors. eta vs tors. theta energy: -233.692 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: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2589.050257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.050257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.050257 (E_RNA) where: Base-Base interactions energy: -1782.421 where: short stacking energy: -722.877 Base-Backbone interact. energy: -4.702 local terms energy: -801.927067 where: bonds (distance) C4'-P energy: -137.177 bonds (distance) P-C4' energy: -163.594 flat angles C4'-P-C4' energy: -164.821 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -220.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2440.313074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.313074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.313074 (E_RNA) where: Base-Base interactions energy: -1670.315 where: short stacking energy: -720.532 Base-Backbone interact. energy: 0.597 local terms energy: -770.594983 where: bonds (distance) C4'-P energy: -131.741 bonds (distance) P-C4' energy: -144.646 flat angles C4'-P-C4' energy: -162.753 flat angles P-C4'-P energy: -123.645 tors. eta vs tors. theta energy: -207.810 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: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2246.582165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.582165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.582165 (E_RNA) where: Base-Base interactions energy: -1483.535 where: short stacking energy: -657.016 Base-Backbone interact. energy: 0.763 local terms energy: -763.809704 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -152.981 flat angles C4'-P-C4' energy: -163.930 flat angles P-C4'-P energy: -103.912 tors. eta vs tors. theta energy: -201.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2051.481431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.481431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.481431 (E_RNA) where: Base-Base interactions energy: -1368.661 where: short stacking energy: -612.983 Base-Backbone interact. energy: -5.383 local terms energy: -677.437630 where: bonds (distance) C4'-P energy: -131.594 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -160.720 flat angles P-C4'-P energy: -94.998 tors. eta vs tors. theta energy: -162.207 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: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1809.182505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.182505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.182505 (E_RNA) where: Base-Base interactions energy: -1184.729 where: short stacking energy: -485.155 Base-Backbone interact. energy: -1.135 local terms energy: -623.318962 where: bonds (distance) C4'-P energy: -127.588 bonds (distance) P-C4' energy: -129.883 flat angles C4'-P-C4' energy: -141.019 flat angles P-C4'-P energy: -94.500 tors. eta vs tors. theta energy: -130.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1692.380197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.380197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.380197 (E_RNA) where: Base-Base interactions energy: -1090.541 where: short stacking energy: -456.466 Base-Backbone interact. energy: -0.447 local terms energy: -601.392148 where: bonds (distance) C4'-P energy: -124.694 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -154.948 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: -117.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1419.244401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.244401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.244401 (E_RNA) where: Base-Base interactions energy: -903.080 where: short stacking energy: -379.387 Base-Backbone interact. energy: -4.127 local terms energy: -512.037270 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -97.536 flat angles C4'-P-C4' energy: -148.108 flat angles P-C4'-P energy: -83.671 tors. eta vs tors. theta energy: -59.580 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: 438 Temperature: 1.300000 Total energy: -693.662970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.662970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.662970 (E_RNA) where: Base-Base interactions energy: -328.993 where: short stacking energy: -174.114 Base-Backbone interact. energy: 3.639 local terms energy: -368.309168 where: bonds (distance) C4'-P energy: -120.423 bonds (distance) P-C4' energy: -125.706 flat angles C4'-P-C4' energy: -98.459 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: 25.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -612.503189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.503189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.503189 (E_RNA) where: Base-Base interactions energy: -208.803 where: short stacking energy: -173.688 Base-Backbone interact. energy: 1.383 local terms energy: -405.083725 where: bonds (distance) C4'-P energy: -107.671 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -126.512 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: 6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2657.609078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.609078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.609078 (E_RNA) where: Base-Base interactions energy: -1830.723 where: short stacking energy: -756.042 Base-Backbone interact. energy: -2.825 local terms energy: -824.061406 where: bonds (distance) C4'-P energy: -139.981 bonds (distance) P-C4' energy: -149.223 flat angles C4'-P-C4' energy: -183.092 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -231.874 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: 439 Temperature: 0.950000 Total energy: -2593.167801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.167801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.167801 (E_RNA) where: Base-Base interactions energy: -1795.015 where: short stacking energy: -746.274 Base-Backbone interact. energy: -3.633 local terms energy: -794.520202 where: bonds (distance) C4'-P energy: -141.490 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -173.332 flat angles P-C4'-P energy: -99.832 tors. eta vs tors. theta energy: -234.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2409.810895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.810895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.810895 (E_RNA) where: Base-Base interactions energy: -1645.276 where: short stacking energy: -683.136 Base-Backbone interact. energy: -0.974 local terms energy: -763.560881 where: bonds (distance) C4'-P energy: -135.114 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -164.130 flat angles P-C4'-P energy: -109.414 tors. eta vs tors. theta energy: -210.011 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: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2268.493860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.493860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.493860 (E_RNA) where: Base-Base interactions energy: -1537.451 where: short stacking energy: -650.465 Base-Backbone interact. energy: -5.197 local terms energy: -725.845851 where: bonds (distance) C4'-P energy: -143.654 bonds (distance) P-C4' energy: -136.960 flat angles C4'-P-C4' energy: -168.479 flat angles P-C4'-P energy: -87.312 tors. eta vs tors. theta energy: -189.441 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: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2046.036475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.036475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.036475 (E_RNA) where: Base-Base interactions energy: -1380.039 where: short stacking energy: -610.571 Base-Backbone interact. energy: -1.954 local terms energy: -664.043490 where: bonds (distance) C4'-P energy: -138.844 bonds (distance) P-C4' energy: -137.187 flat angles C4'-P-C4' energy: -145.524 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -160.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1821.418224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.418224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.418224 (E_RNA) where: Base-Base interactions energy: -1202.512 where: short stacking energy: -539.279 Base-Backbone interact. energy: -3.652 local terms energy: -615.254617 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -141.783 flat angles C4'-P-C4' energy: -142.450 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -117.525 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: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1642.793987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.793987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.793987 (E_RNA) where: Base-Base interactions energy: -1063.963 where: short stacking energy: -472.841 Base-Backbone interact. energy: -4.802 local terms energy: -574.028677 where: bonds (distance) C4'-P energy: -124.717 bonds (distance) P-C4' energy: -119.317 flat angles C4'-P-C4' energy: -132.243 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -118.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1444.752087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.752087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.752087 (E_RNA) where: Base-Base interactions energy: -891.121 where: short stacking energy: -411.929 Base-Backbone interact. energy: -1.570 local terms energy: -552.060995 where: bonds (distance) C4'-P energy: -139.058 bonds (distance) P-C4' energy: -128.919 flat angles C4'-P-C4' energy: -126.503 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -88.200 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: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -720.160984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.160984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.160984 (E_RNA) where: Base-Base interactions energy: -334.237 where: short stacking energy: -217.402 Base-Backbone interact. energy: 7.147 local terms energy: -393.070678 where: bonds (distance) C4'-P energy: -131.620 bonds (distance) P-C4' energy: -115.423 flat angles C4'-P-C4' energy: -104.351 flat angles P-C4'-P energy: -67.897 tors. eta vs tors. theta energy: 26.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -559.822297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.822297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.822297 (E_RNA) where: Base-Base interactions energy: -222.846 where: short stacking energy: -180.681 Base-Backbone interact. energy: 7.366 local terms energy: -344.342553 where: bonds (distance) C4'-P energy: -92.871 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -87.704 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: 25.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2655.126483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.126483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.126483 (E_RNA) where: Base-Base interactions energy: -1826.221 where: short stacking energy: -764.367 Base-Backbone interact. energy: -1.341 local terms energy: -827.564587 where: bonds (distance) C4'-P energy: -147.032 bonds (distance) P-C4' energy: -157.330 flat angles C4'-P-C4' energy: -173.875 flat angles P-C4'-P energy: -112.175 tors. eta vs tors. theta energy: -237.153 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: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2588.497437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.497437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.497437 (E_RNA) where: Base-Base interactions energy: -1783.354 where: short stacking energy: -750.047 Base-Backbone interact. energy: -3.525 local terms energy: -801.617799 where: bonds (distance) C4'-P energy: -150.564 bonds (distance) P-C4' energy: -146.845 flat angles C4'-P-C4' energy: -165.493 flat angles P-C4'-P energy: -113.382 tors. eta vs tors. theta energy: -225.334 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: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2447.563801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.563801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.563801 (E_RNA) where: Base-Base interactions energy: -1682.381 where: short stacking energy: -727.119 Base-Backbone interact. energy: -1.576 local terms energy: -763.606728 where: bonds (distance) C4'-P energy: -146.304 bonds (distance) P-C4' energy: -148.017 flat angles C4'-P-C4' energy: -156.217 flat angles P-C4'-P energy: -114.210 tors. eta vs tors. theta energy: -198.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2280.538802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.538802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.538802 (E_RNA) where: Base-Base interactions energy: -1552.862 where: short stacking energy: -659.947 Base-Backbone interact. energy: 4.594 local terms energy: -732.271523 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -157.960 flat angles P-C4'-P energy: -108.984 tors. eta vs tors. theta energy: -184.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2047.587169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.587169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.587169 (E_RNA) where: Base-Base interactions energy: -1375.097 where: short stacking energy: -601.908 Base-Backbone interact. energy: 5.270 local terms energy: -677.759976 where: bonds (distance) C4'-P energy: -127.836 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -159.406 flat angles P-C4'-P energy: -85.235 tors. eta vs tors. theta energy: -166.589 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: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1784.035024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.035024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.035024 (E_RNA) where: Base-Base interactions energy: -1150.295 where: short stacking energy: -495.138 Base-Backbone interact. energy: 11.218 local terms energy: -644.957755 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -143.584 flat angles C4'-P-C4' energy: -147.241 flat angles P-C4'-P energy: -106.540 tors. eta vs tors. theta energy: -117.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1622.710979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.710979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.710979 (E_RNA) where: Base-Base interactions energy: -999.174 where: short stacking energy: -455.337 Base-Backbone interact. energy: 2.219 local terms energy: -625.756436 where: bonds (distance) C4'-P energy: -131.170 bonds (distance) P-C4' energy: -139.243 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -122.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1386.667098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.667098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.667098 (E_RNA) where: Base-Base interactions energy: -856.209 where: short stacking energy: -372.056 Base-Backbone interact. energy: -3.119 local terms energy: -527.338996 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -140.215 flat angles C4'-P-C4' energy: -117.691 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -71.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -753.444443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.444443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.444443 (E_RNA) where: Base-Base interactions energy: -331.945 where: short stacking energy: -184.514 Base-Backbone interact. energy: 2.018 local terms energy: -423.517335 where: bonds (distance) C4'-P energy: -140.913 bonds (distance) P-C4' energy: -129.783 flat angles C4'-P-C4' energy: -103.040 flat angles P-C4'-P energy: -62.443 tors. eta vs tors. theta energy: 12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -609.237283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.237283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.237283 (E_RNA) where: Base-Base interactions energy: -206.321 where: short stacking energy: -124.841 Base-Backbone interact. energy: 6.384 local terms energy: -409.299721 where: bonds (distance) C4'-P energy: -134.871 bonds (distance) P-C4' energy: -131.431 flat angles C4'-P-C4' energy: -115.333 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: 36.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2628.268385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.268385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.268385 (E_RNA) where: Base-Base interactions energy: -1808.580 where: short stacking energy: -758.164 Base-Backbone interact. energy: -4.027 local terms energy: -815.661391 where: bonds (distance) C4'-P energy: -150.945 bonds (distance) P-C4' energy: -162.512 flat angles C4'-P-C4' energy: -171.272 flat angles P-C4'-P energy: -100.374 tors. eta vs tors. theta energy: -230.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2592.836503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.836503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.836503 (E_RNA) where: Base-Base interactions energy: -1784.327 where: short stacking energy: -731.580 Base-Backbone interact. energy: 0.483 local terms energy: -808.992529 where: bonds (distance) C4'-P energy: -140.731 bonds (distance) P-C4' energy: -158.084 flat angles C4'-P-C4' energy: -168.911 flat angles P-C4'-P energy: -106.739 tors. eta vs tors. theta energy: -234.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2432.036984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.036984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.036984 (E_RNA) where: Base-Base interactions energy: -1647.102 where: short stacking energy: -686.085 Base-Backbone interact. energy: -7.166 local terms energy: -777.768535 where: bonds (distance) C4'-P energy: -152.690 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -164.455 flat angles P-C4'-P energy: -111.474 tors. eta vs tors. theta energy: -199.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2283.510632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.510632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.510632 (E_RNA) where: Base-Base interactions energy: -1545.200 where: short stacking energy: -649.506 Base-Backbone interact. energy: -0.289 local terms energy: -738.021250 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -151.596 flat angles C4'-P-C4' energy: -166.244 flat angles P-C4'-P energy: -90.802 tors. eta vs tors. theta energy: -195.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2048.989694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.989694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.989694 (E_RNA) where: Base-Base interactions energy: -1377.379 where: short stacking energy: -619.667 Base-Backbone interact. energy: 1.121 local terms energy: -672.731999 where: bonds (distance) C4'-P energy: -137.898 bonds (distance) P-C4' energy: -132.245 flat angles C4'-P-C4' energy: -146.783 flat angles P-C4'-P energy: -90.037 tors. eta vs tors. theta energy: -165.770 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: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1806.886054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.886054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.886054 (E_RNA) where: Base-Base interactions energy: -1187.443 where: short stacking energy: -507.090 Base-Backbone interact. energy: 3.306 local terms energy: -622.748911 where: bonds (distance) C4'-P energy: -131.079 bonds (distance) P-C4' energy: -128.773 flat angles C4'-P-C4' energy: -134.835 flat angles P-C4'-P energy: -98.762 tors. eta vs tors. theta energy: -129.301 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: 441 Temperature: 1.200000 Total energy: -1652.151533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.151533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.151533 (E_RNA) where: Base-Base interactions energy: -1063.530 where: short stacking energy: -481.451 Base-Backbone interact. energy: 0.169 local terms energy: -588.789829 where: bonds (distance) C4'-P energy: -133.281 bonds (distance) P-C4' energy: -135.535 flat angles C4'-P-C4' energy: -139.257 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: -104.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1363.349852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.349852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.349852 (E_RNA) where: Base-Base interactions energy: -831.308 where: short stacking energy: -375.423 Base-Backbone interact. energy: -1.785 local terms energy: -530.257338 where: bonds (distance) C4'-P energy: -136.074 bonds (distance) P-C4' energy: -131.233 flat angles C4'-P-C4' energy: -117.676 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -72.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -771.538324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.538324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.538324 (E_RNA) where: Base-Base interactions energy: -373.898 where: short stacking energy: -207.041 Base-Backbone interact. energy: 0.297 local terms energy: -397.936683 where: bonds (distance) C4'-P energy: -105.756 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -91.905 flat angles P-C4'-P energy: -66.481 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -586.248557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.248557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.248557 (E_RNA) where: Base-Base interactions energy: -176.771 where: short stacking energy: -141.446 Base-Backbone interact. energy: 2.464 local terms energy: -411.941237 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -128.929 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -72.716 tors. eta vs tors. theta energy: 14.914 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: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2660.560588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.560588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.560588 (E_RNA) where: Base-Base interactions energy: -1867.777 where: short stacking energy: -782.455 Base-Backbone interact. energy: -1.010 local terms energy: -791.773497 where: bonds (distance) C4'-P energy: -137.760 bonds (distance) P-C4' energy: -149.793 flat angles C4'-P-C4' energy: -160.702 flat angles P-C4'-P energy: -118.086 tors. eta vs tors. theta energy: -225.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2601.132231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.132231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.132231 (E_RNA) where: Base-Base interactions energy: -1799.099 where: short stacking energy: -726.464 Base-Backbone interact. energy: -5.212 local terms energy: -796.821504 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -145.270 flat angles C4'-P-C4' energy: -170.881 flat angles P-C4'-P energy: -115.216 tors. eta vs tors. theta energy: -224.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2454.616308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.616308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.616308 (E_RNA) where: Base-Base interactions energy: -1673.794 where: short stacking energy: -713.956 Base-Backbone interact. energy: -1.499 local terms energy: -779.322965 where: bonds (distance) C4'-P energy: -140.903 bonds (distance) P-C4' energy: -142.102 flat angles C4'-P-C4' energy: -169.468 flat angles P-C4'-P energy: -115.127 tors. eta vs tors. theta energy: -211.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2249.648809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.648809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.648809 (E_RNA) where: Base-Base interactions energy: -1504.165 where: short stacking energy: -646.578 Base-Backbone interact. energy: 1.263 local terms energy: -746.746171 where: bonds (distance) C4'-P energy: -137.230 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -161.283 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -188.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2104.422121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.422121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.422121 (E_RNA) where: Base-Base interactions energy: -1411.755 where: short stacking energy: -632.122 Base-Backbone interact. energy: 1.526 local terms energy: -694.192974 where: bonds (distance) C4'-P energy: -126.290 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -150.043 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -174.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1789.826239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.826239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.826239 (E_RNA) where: Base-Base interactions energy: -1166.618 where: short stacking energy: -493.138 Base-Backbone interact. energy: -0.205 local terms energy: -623.003033 where: bonds (distance) C4'-P energy: -123.040 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -146.460 flat angles P-C4'-P energy: -94.995 tors. eta vs tors. theta energy: -129.915 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: 442 Temperature: 1.200000 Total energy: -1629.662182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.662182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.662182 (E_RNA) where: Base-Base interactions energy: -1032.134 where: short stacking energy: -447.197 Base-Backbone interact. energy: -4.441 local terms energy: -593.087396 where: bonds (distance) C4'-P energy: -133.216 bonds (distance) P-C4' energy: -138.457 flat angles C4'-P-C4' energy: -131.377 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: -108.361 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: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1465.821244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.821244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.821244 (E_RNA) where: Base-Base interactions energy: -934.603 where: short stacking energy: -401.976 Base-Backbone interact. energy: -3.024 local terms energy: -528.194451 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -124.932 flat angles C4'-P-C4' energy: -131.502 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -73.033 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: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -771.748565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.748565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.748565 (E_RNA) where: Base-Base interactions energy: -343.514 where: short stacking energy: -208.273 Base-Backbone interact. energy: 2.851 local terms energy: -431.085322 where: bonds (distance) C4'-P energy: -122.523 bonds (distance) P-C4' energy: -128.650 flat angles C4'-P-C4' energy: -107.027 flat angles P-C4'-P energy: -71.507 tors. eta vs tors. theta energy: -1.379 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: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -538.263651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.263651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.263651 (E_RNA) where: Base-Base interactions energy: -185.251 where: short stacking energy: -144.674 Base-Backbone interact. energy: 0.969 local terms energy: -353.982119 where: bonds (distance) C4'-P energy: -118.517 bonds (distance) P-C4' energy: -127.892 flat angles C4'-P-C4' energy: -94.494 flat angles P-C4'-P energy: -51.757 tors. eta vs tors. theta energy: 38.678 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: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2666.961962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.961962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.961962 (E_RNA) where: Base-Base interactions energy: -1835.300 where: short stacking energy: -756.892 Base-Backbone interact. energy: -1.013 local terms energy: -830.648720 where: bonds (distance) C4'-P energy: -145.909 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -174.486 flat angles P-C4'-P energy: -118.052 tors. eta vs tors. theta energy: -235.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2610.660528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.660528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.660528 (E_RNA) where: Base-Base interactions energy: -1820.743 where: short stacking energy: -755.916 Base-Backbone interact. energy: -5.169 local terms energy: -784.748301 where: bonds (distance) C4'-P energy: -143.258 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -162.426 flat angles P-C4'-P energy: -107.179 tors. eta vs tors. theta energy: -229.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2442.147023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.147023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.147023 (E_RNA) where: Base-Base interactions energy: -1680.773 where: short stacking energy: -735.336 Base-Backbone interact. energy: 0.189 local terms energy: -761.563223 where: bonds (distance) C4'-P energy: -142.428 bonds (distance) P-C4' energy: -135.653 flat angles C4'-P-C4' energy: -156.912 flat angles P-C4'-P energy: -103.413 tors. eta vs tors. theta energy: -223.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2273.358242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.358242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.358242 (E_RNA) where: Base-Base interactions energy: -1528.969 where: short stacking energy: -650.395 Base-Backbone interact. energy: -4.894 local terms energy: -739.494562 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -130.709 flat angles C4'-P-C4' energy: -168.465 flat angles P-C4'-P energy: -111.499 tors. eta vs tors. theta energy: -195.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2115.289081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.289081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.289081 (E_RNA) where: Base-Base interactions energy: -1459.927 where: short stacking energy: -620.187 Base-Backbone interact. energy: -3.295 local terms energy: -652.066660 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -168.997 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1803.615969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.615969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.615969 (E_RNA) where: Base-Base interactions energy: -1200.802 where: short stacking energy: -502.838 Base-Backbone interact. energy: 1.313 local terms energy: -604.127706 where: bonds (distance) C4'-P energy: -132.104 bonds (distance) P-C4' energy: -134.072 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -120.289 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: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1657.154662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.154662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.154662 (E_RNA) where: Base-Base interactions energy: -1066.548 where: short stacking energy: -495.206 Base-Backbone interact. energy: -1.563 local terms energy: -589.043686 where: bonds (distance) C4'-P energy: -111.377 bonds (distance) P-C4' energy: -130.204 flat angles C4'-P-C4' energy: -129.872 flat angles P-C4'-P energy: -92.900 tors. eta vs tors. theta energy: -124.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1445.393174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.393174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.393174 (E_RNA) where: Base-Base interactions energy: -896.592 where: short stacking energy: -392.876 Base-Backbone interact. energy: 2.641 local terms energy: -551.442275 where: bonds (distance) C4'-P energy: -114.644 bonds (distance) P-C4' energy: -117.498 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -95.783 tors. eta vs tors. theta energy: -91.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -812.679811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.679811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.679811 (E_RNA) where: Base-Base interactions energy: -383.718 where: short stacking energy: -219.856 Base-Backbone interact. energy: 1.390 local terms energy: -430.352122 where: bonds (distance) C4'-P energy: -92.896 bonds (distance) P-C4' energy: -138.862 flat angles C4'-P-C4' energy: -104.096 flat angles P-C4'-P energy: -70.151 tors. eta vs tors. theta energy: -24.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -559.811811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.811811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.811811 (E_RNA) where: Base-Base interactions energy: -188.033 where: short stacking energy: -133.069 Base-Backbone interact. energy: 1.556 local terms energy: -373.334866 where: bonds (distance) C4'-P energy: -108.746 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -76.757 tors. eta vs tors. theta energy: 37.414 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: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2659.965431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.965431 (E_RNA) where: Base-Base interactions energy: -1842.109 where: short stacking energy: -772.984 Base-Backbone interact. energy: -2.019 local terms energy: -815.837600 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -167.298 flat angles C4'-P-C4' energy: -168.083 flat angles P-C4'-P energy: -105.489 tors. eta vs tors. theta energy: -232.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2613.276890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.276890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.276890 (E_RNA) where: Base-Base interactions energy: -1792.523 where: short stacking energy: -766.288 Base-Backbone interact. energy: 0.488 local terms energy: -821.241931 where: bonds (distance) C4'-P energy: -154.764 bonds (distance) P-C4' energy: -156.748 flat angles C4'-P-C4' energy: -169.454 flat angles P-C4'-P energy: -114.518 tors. eta vs tors. theta energy: -225.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2504.293396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.293396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.293396 (E_RNA) where: Base-Base interactions energy: -1723.861 where: short stacking energy: -733.684 Base-Backbone interact. energy: -3.020 local terms energy: -777.412739 where: bonds (distance) C4'-P energy: -145.084 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -168.359 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -221.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2251.477586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.477586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.477586 (E_RNA) where: Base-Base interactions energy: -1506.555 where: short stacking energy: -651.250 Base-Backbone interact. energy: -3.588 local terms energy: -741.334080 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -138.382 flat angles C4'-P-C4' energy: -159.609 flat angles P-C4'-P energy: -104.409 tors. eta vs tors. theta energy: -211.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2140.011403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.011403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.011403 (E_RNA) where: Base-Base interactions energy: -1431.287 where: short stacking energy: -644.917 Base-Backbone interact. energy: -0.895 local terms energy: -707.828803 where: bonds (distance) C4'-P energy: -132.618 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -158.302 flat angles P-C4'-P energy: -107.455 tors. eta vs tors. theta energy: -172.679 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: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1855.637667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.637667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.637667 (E_RNA) where: Base-Base interactions energy: -1224.895 where: short stacking energy: -545.127 Base-Backbone interact. energy: -5.226 local terms energy: -625.517279 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -149.495 flat angles P-C4'-P energy: -98.513 tors. eta vs tors. theta energy: -126.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1639.147463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.147463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.147463 (E_RNA) where: Base-Base interactions energy: -1040.497 where: short stacking energy: -440.588 Base-Backbone interact. energy: -1.483 local terms energy: -597.167645 where: bonds (distance) C4'-P energy: -125.508 bonds (distance) P-C4' energy: -128.241 flat angles C4'-P-C4' energy: -138.301 flat angles P-C4'-P energy: -74.413 tors. eta vs tors. theta energy: -130.704 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: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1420.380494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.380494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.380494 (E_RNA) where: Base-Base interactions energy: -918.629 where: short stacking energy: -424.895 Base-Backbone interact. energy: 1.580 local terms energy: -503.332046 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -121.901 flat angles C4'-P-C4' energy: -112.064 flat angles P-C4'-P energy: -51.335 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: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -668.043991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.043991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.043991 (E_RNA) where: Base-Base interactions energy: -298.626 where: short stacking energy: -188.342 Base-Backbone interact. energy: 5.570 local terms energy: -374.987712 where: bonds (distance) C4'-P energy: -102.326 bonds (distance) P-C4' energy: -116.255 flat angles C4'-P-C4' energy: -112.218 flat angles P-C4'-P energy: -64.718 tors. eta vs tors. theta energy: 20.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -650.024541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.024541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.024541 (E_RNA) where: Base-Base interactions energy: -290.670 where: short stacking energy: -170.656 Base-Backbone interact. energy: -1.643 local terms energy: -357.711630 where: bonds (distance) C4'-P energy: -129.957 bonds (distance) P-C4' energy: -100.715 flat angles C4'-P-C4' energy: -102.559 flat angles P-C4'-P energy: -56.767 tors. eta vs tors. theta energy: 32.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2652.266295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.266295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.266295 (E_RNA) where: Base-Base interactions energy: -1811.986 where: short stacking energy: -752.212 Base-Backbone interact. energy: -5.059 local terms energy: -835.220921 where: bonds (distance) C4'-P energy: -161.622 bonds (distance) P-C4' energy: -149.418 flat angles C4'-P-C4' energy: -171.469 flat angles P-C4'-P energy: -124.128 tors. eta vs tors. theta energy: -228.585 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: 445 Temperature: 0.950000 Total energy: -2595.197742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.197742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.197742 (E_RNA) where: Base-Base interactions energy: -1778.380 where: short stacking energy: -738.457 Base-Backbone interact. energy: -2.426 local terms energy: -814.391444 where: bonds (distance) C4'-P energy: -149.587 bonds (distance) P-C4' energy: -151.448 flat angles C4'-P-C4' energy: -170.681 flat angles P-C4'-P energy: -107.957 tors. eta vs tors. theta energy: -234.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2464.051705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.051705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.051705 (E_RNA) where: Base-Base interactions energy: -1707.827 where: short stacking energy: -698.986 Base-Backbone interact. energy: -1.406 local terms energy: -754.819135 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -173.235 flat angles P-C4'-P energy: -88.419 tors. eta vs tors. theta energy: -216.576 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: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2268.886222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.886222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.886222 (E_RNA) where: Base-Base interactions energy: -1507.063 where: short stacking energy: -639.244 Base-Backbone interact. energy: -1.930 local terms energy: -759.893439 where: bonds (distance) C4'-P energy: -144.392 bonds (distance) P-C4' energy: -161.386 flat angles C4'-P-C4' energy: -155.459 flat angles P-C4'-P energy: -89.956 tors. eta vs tors. theta energy: -208.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2128.929788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.929788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.929788 (E_RNA) where: Base-Base interactions energy: -1409.164 where: short stacking energy: -620.680 Base-Backbone interact. energy: -1.062 local terms energy: -718.703209 where: bonds (distance) C4'-P energy: -142.610 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -158.233 flat angles P-C4'-P energy: -107.265 tors. eta vs tors. theta energy: -174.966 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: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1791.178647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.178647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.178647 (E_RNA) where: Base-Base interactions energy: -1148.175 where: short stacking energy: -497.940 Base-Backbone interact. energy: -2.919 local terms energy: -640.085127 where: bonds (distance) C4'-P energy: -124.927 bonds (distance) P-C4' energy: -149.433 flat angles C4'-P-C4' energy: -145.814 flat angles P-C4'-P energy: -80.437 tors. eta vs tors. theta energy: -139.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1730.627559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.627559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.627559 (E_RNA) where: Base-Base interactions energy: -1097.660 where: short stacking energy: -469.942 Base-Backbone interact. energy: -0.591 local terms energy: -632.377330 where: bonds (distance) C4'-P energy: -125.944 bonds (distance) P-C4' energy: -137.992 flat angles C4'-P-C4' energy: -141.222 flat angles P-C4'-P energy: -96.104 tors. eta vs tors. theta energy: -131.115 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: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1416.452551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.452551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.452551 (E_RNA) where: Base-Base interactions energy: -886.549 where: short stacking energy: -373.526 Base-Backbone interact. energy: -1.361 local terms energy: -528.542592 where: bonds (distance) C4'-P energy: -123.978 bonds (distance) P-C4' energy: -136.849 flat angles C4'-P-C4' energy: -122.686 flat angles P-C4'-P energy: -66.244 tors. eta vs tors. theta energy: -78.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -715.975483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.975483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.975483 (E_RNA) where: Base-Base interactions energy: -297.058 where: short stacking energy: -187.176 Base-Backbone interact. energy: -0.071 local terms energy: -418.847168 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -120.558 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -76.289 tors. eta vs tors. theta energy: 6.653 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: 445 Temperature: 1.350000 Total energy: -622.795991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.795991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.795991 (E_RNA) where: Base-Base interactions energy: -241.838 where: short stacking energy: -169.859 Base-Backbone interact. energy: -0.116 local terms energy: -380.842059 where: bonds (distance) C4'-P energy: -120.868 bonds (distance) P-C4' energy: -124.147 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: 18.240 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: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2642.678279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.678279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.678279 (E_RNA) where: Base-Base interactions energy: -1822.757 where: short stacking energy: -745.709 Base-Backbone interact. energy: -4.222 local terms energy: -815.698647 where: bonds (distance) C4'-P energy: -142.735 bonds (distance) P-C4' energy: -147.156 flat angles C4'-P-C4' energy: -181.436 flat angles P-C4'-P energy: -116.741 tors. eta vs tors. theta energy: -227.630 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: 446 Temperature: 0.950000 Total energy: -2604.847838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.847838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.847838 (E_RNA) where: Base-Base interactions energy: -1801.222 where: short stacking energy: -747.996 Base-Backbone interact. energy: -3.102 local terms energy: -800.523397 where: bonds (distance) C4'-P energy: -135.980 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -170.391 flat angles P-C4'-P energy: -110.782 tors. eta vs tors. theta energy: -235.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2502.741059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.741059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.741059 (E_RNA) where: Base-Base interactions energy: -1734.030 where: short stacking energy: -726.201 Base-Backbone interact. energy: -1.536 local terms energy: -767.175797 where: bonds (distance) C4'-P energy: -141.770 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -156.962 flat angles P-C4'-P energy: -106.394 tors. eta vs tors. theta energy: -223.662 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: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2302.490755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.490755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.490755 (E_RNA) where: Base-Base interactions energy: -1575.385 where: short stacking energy: -667.476 Base-Backbone interact. energy: -2.214 local terms energy: -724.891435 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -137.247 flat angles C4'-P-C4' energy: -160.049 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -198.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2104.478786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.478786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.478786 (E_RNA) where: Base-Base interactions energy: -1408.306 where: short stacking energy: -592.883 Base-Backbone interact. energy: -3.460 local terms energy: -692.712090 where: bonds (distance) C4'-P energy: -139.975 bonds (distance) P-C4' energy: -143.413 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -168.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1847.667551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.667551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.667551 (E_RNA) where: Base-Base interactions energy: -1221.748 where: short stacking energy: -512.926 Base-Backbone interact. energy: -1.212 local terms energy: -624.707650 where: bonds (distance) C4'-P energy: -120.536 bonds (distance) P-C4' energy: -135.138 flat angles C4'-P-C4' energy: -152.622 flat angles P-C4'-P energy: -92.423 tors. eta vs tors. theta energy: -123.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1703.791191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.791191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.791191 (E_RNA) where: Base-Base interactions energy: -1086.871 where: short stacking energy: -474.710 Base-Backbone interact. energy: 1.334 local terms energy: -618.254264 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -135.440 flat angles C4'-P-C4' energy: -139.868 flat angles P-C4'-P energy: -94.276 tors. eta vs tors. theta energy: -118.510 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1383.858103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.858103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.858103 (E_RNA) where: Base-Base interactions energy: -886.176 where: short stacking energy: -387.211 Base-Backbone interact. energy: 3.373 local terms energy: -501.055200 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -114.544 flat angles P-C4'-P energy: -68.575 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: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -718.191615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.191615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.191615 (E_RNA) where: Base-Base interactions energy: -287.682 where: short stacking energy: -184.937 Base-Backbone interact. energy: 8.467 local terms energy: -438.976704 where: bonds (distance) C4'-P energy: -124.292 bonds (distance) P-C4' energy: -147.136 flat angles C4'-P-C4' energy: -116.969 flat angles P-C4'-P energy: -71.172 tors. eta vs tors. theta energy: 20.593 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: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -624.594144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.594144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.594144 (E_RNA) where: Base-Base interactions energy: -220.000 where: short stacking energy: -149.103 Base-Backbone interact. energy: -3.734 local terms energy: -400.860134 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -95.703 flat angles P-C4'-P energy: -90.188 tors. eta vs tors. theta energy: 29.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2670.397582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.397582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.397582 (E_RNA) where: Base-Base interactions energy: -1839.119 where: short stacking energy: -776.184 Base-Backbone interact. energy: -0.788 local terms energy: -830.490348 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -152.140 flat angles C4'-P-C4' energy: -167.340 flat angles P-C4'-P energy: -125.210 tors. eta vs tors. theta energy: -234.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2606.697761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.697761 (E_RNA) where: Base-Base interactions energy: -1787.726 where: short stacking energy: -737.760 Base-Backbone interact. energy: 0.543 local terms energy: -819.514856 where: bonds (distance) C4'-P energy: -150.111 bonds (distance) P-C4' energy: -146.194 flat angles C4'-P-C4' energy: -170.024 flat angles P-C4'-P energy: -123.491 tors. eta vs tors. theta energy: -229.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2519.386825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.386825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.386825 (E_RNA) where: Base-Base interactions energy: -1704.389 where: short stacking energy: -734.623 Base-Backbone interact. energy: -5.067 local terms energy: -809.930594 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -159.072 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -240.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2308.913650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.913650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.913650 (E_RNA) where: Base-Base interactions energy: -1541.388 where: short stacking energy: -702.891 Base-Backbone interact. energy: -1.638 local terms energy: -765.887924 where: bonds (distance) C4'-P energy: -152.545 bonds (distance) P-C4' energy: -135.256 flat angles C4'-P-C4' energy: -163.873 flat angles P-C4'-P energy: -110.236 tors. eta vs tors. theta energy: -203.977 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: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2115.647161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.647161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.647161 (E_RNA) where: Base-Base interactions energy: -1390.458 where: short stacking energy: -583.981 Base-Backbone interact. energy: 0.829 local terms energy: -726.018124 where: bonds (distance) C4'-P energy: -127.667 bonds (distance) P-C4' energy: -140.368 flat angles C4'-P-C4' energy: -162.138 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -192.731 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: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1823.407744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.407744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.407744 (E_RNA) where: Base-Base interactions energy: -1214.452 where: short stacking energy: -484.201 Base-Backbone interact. energy: -4.176 local terms energy: -604.779814 where: bonds (distance) C4'-P energy: -121.155 bonds (distance) P-C4' energy: -132.590 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -86.126 tors. eta vs tors. theta energy: -136.637 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: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1668.900555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.900555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.900555 (E_RNA) where: Base-Base interactions energy: -1079.131 where: short stacking energy: -446.251 Base-Backbone interact. energy: 0.457 local terms energy: -590.225765 where: bonds (distance) C4'-P energy: -126.324 bonds (distance) P-C4' energy: -131.355 flat angles C4'-P-C4' energy: -144.290 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -108.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1510.076385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.076385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.076385 (E_RNA) where: Base-Base interactions energy: -994.457 where: short stacking energy: -430.195 Base-Backbone interact. energy: -1.356 local terms energy: -514.263295 where: bonds (distance) C4'-P energy: -107.974 bonds (distance) P-C4' energy: -135.013 flat angles C4'-P-C4' energy: -120.389 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: -85.937 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: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -613.704054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.704054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.704054 (E_RNA) where: Base-Base interactions energy: -214.679 where: short stacking energy: -149.943 Base-Backbone interact. energy: 5.364 local terms energy: -404.389033 where: bonds (distance) C4'-P energy: -124.523 bonds (distance) P-C4' energy: -125.278 flat angles C4'-P-C4' energy: -94.462 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: 21.561 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: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -615.528935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.528935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.528935 (E_RNA) where: Base-Base interactions energy: -228.864 where: short stacking energy: -167.959 Base-Backbone interact. energy: -0.944 local terms energy: -385.720841 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -125.221 flat angles C4'-P-C4' energy: -118.229 flat angles P-C4'-P energy: -41.284 tors. eta vs tors. theta energy: 19.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2660.926962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.926962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.926962 (E_RNA) where: Base-Base interactions energy: -1849.015 where: short stacking energy: -779.995 Base-Backbone interact. energy: -3.753 local terms energy: -808.158379 where: bonds (distance) C4'-P energy: -138.952 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -165.419 flat angles P-C4'-P energy: -121.582 tors. eta vs tors. theta energy: -239.839 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: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2594.639312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.639312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.639312 (E_RNA) where: Base-Base interactions energy: -1773.138 where: short stacking energy: -728.318 Base-Backbone interact. energy: -2.232 local terms energy: -819.269031 where: bonds (distance) C4'-P energy: -146.780 bonds (distance) P-C4' energy: -149.193 flat angles C4'-P-C4' energy: -174.077 flat angles P-C4'-P energy: -119.543 tors. eta vs tors. theta energy: -229.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2513.081656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.081656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.081656 (E_RNA) where: Base-Base interactions energy: -1728.247 where: short stacking energy: -735.650 Base-Backbone interact. energy: 4.157 local terms energy: -788.991912 where: bonds (distance) C4'-P energy: -133.532 bonds (distance) P-C4' energy: -146.665 flat angles C4'-P-C4' energy: -164.684 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -232.072 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: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2274.370011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.370011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.370011 (E_RNA) where: Base-Base interactions energy: -1515.660 where: short stacking energy: -675.305 Base-Backbone interact. energy: -0.251 local terms energy: -758.458798 where: bonds (distance) C4'-P energy: -142.122 bonds (distance) P-C4' energy: -137.318 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -106.450 tors. eta vs tors. theta energy: -206.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2092.928419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.928419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.928419 (E_RNA) where: Base-Base interactions energy: -1409.572 where: short stacking energy: -624.538 Base-Backbone interact. energy: -1.056 local terms energy: -682.300488 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -151.902 flat angles C4'-P-C4' energy: -160.000 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -170.917 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: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1842.568890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.568890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.568890 (E_RNA) where: Base-Base interactions energy: -1198.539 where: short stacking energy: -503.215 Base-Backbone interact. energy: -5.601 local terms energy: -638.429086 where: bonds (distance) C4'-P energy: -143.842 bonds (distance) P-C4' energy: -136.294 flat angles C4'-P-C4' energy: -140.747 flat angles P-C4'-P energy: -91.351 tors. eta vs tors. theta energy: -126.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1712.813327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.813327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.813327 (E_RNA) where: Base-Base interactions energy: -1115.236 where: short stacking energy: -479.786 Base-Backbone interact. energy: -1.121 local terms energy: -596.456670 where: bonds (distance) C4'-P energy: -128.856 bonds (distance) P-C4' energy: -130.295 flat angles C4'-P-C4' energy: -134.941 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: -123.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1501.044087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.044087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.044087 (E_RNA) where: Base-Base interactions energy: -966.882 where: short stacking energy: -423.038 Base-Backbone interact. energy: 2.679 local terms energy: -536.840138 where: bonds (distance) C4'-P energy: -115.179 bonds (distance) P-C4' energy: -136.471 flat angles C4'-P-C4' energy: -145.309 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -76.527 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: 448 Temperature: 1.300000 Total energy: -753.549908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.549908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.549908 (E_RNA) where: Base-Base interactions energy: -317.405 where: short stacking energy: -203.279 Base-Backbone interact. energy: -2.751 local terms energy: -433.393622 where: bonds (distance) C4'-P energy: -133.806 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -83.917 tors. eta vs tors. theta energy: 19.312 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: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -570.341499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.341499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.341499 (E_RNA) where: Base-Base interactions energy: -184.338 where: short stacking energy: -131.029 Base-Backbone interact. energy: 0.695 local terms energy: -386.699133 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -148.024 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -56.887 tors. eta vs tors. theta energy: 34.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2663.524285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.524285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.524285 (E_RNA) where: Base-Base interactions energy: -1844.823 where: short stacking energy: -783.391 Base-Backbone interact. energy: -4.378 local terms energy: -814.322972 where: bonds (distance) C4'-P energy: -138.559 bonds (distance) P-C4' energy: -146.776 flat angles C4'-P-C4' energy: -176.986 flat angles P-C4'-P energy: -110.811 tors. eta vs tors. theta energy: -241.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2599.200689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.200689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.200689 (E_RNA) where: Base-Base interactions energy: -1780.146 where: short stacking energy: -727.473 Base-Backbone interact. energy: -1.858 local terms energy: -817.196289 where: bonds (distance) C4'-P energy: -147.285 bonds (distance) P-C4' energy: -146.698 flat angles C4'-P-C4' energy: -178.953 flat angles P-C4'-P energy: -116.262 tors. eta vs tors. theta energy: -227.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2532.637541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.637541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.637541 (E_RNA) where: Base-Base interactions energy: -1751.139 where: short stacking energy: -718.588 Base-Backbone interact. energy: -3.743 local terms energy: -777.754966 where: bonds (distance) C4'-P energy: -149.262 bonds (distance) P-C4' energy: -142.782 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -112.685 tors. eta vs tors. theta energy: -216.649 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: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2262.353770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.353770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.353770 (E_RNA) where: Base-Base interactions energy: -1520.650 where: short stacking energy: -651.447 Base-Backbone interact. energy: 0.069 local terms energy: -741.773307 where: bonds (distance) C4'-P energy: -142.245 bonds (distance) P-C4' energy: -140.404 flat angles C4'-P-C4' energy: -158.602 flat angles P-C4'-P energy: -97.036 tors. eta vs tors. theta energy: -203.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2104.165814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.165814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.165814 (E_RNA) where: Base-Base interactions energy: -1416.006 where: short stacking energy: -620.784 Base-Backbone interact. energy: -2.492 local terms energy: -685.667459 where: bonds (distance) C4'-P energy: -139.635 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -141.598 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -178.032 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: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1767.922319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.922319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.922319 (E_RNA) where: Base-Base interactions energy: -1149.973 where: short stacking energy: -506.654 Base-Backbone interact. energy: 1.351 local terms energy: -619.300264 where: bonds (distance) C4'-P energy: -126.992 bonds (distance) P-C4' energy: -139.405 flat angles C4'-P-C4' energy: -143.956 flat angles P-C4'-P energy: -86.572 tors. eta vs tors. theta energy: -122.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1775.511555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.511555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.511555 (E_RNA) where: Base-Base interactions energy: -1128.833 where: short stacking energy: -499.924 Base-Backbone interact. energy: -1.483 local terms energy: -645.195667 where: bonds (distance) C4'-P energy: -144.776 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -152.223 flat angles P-C4'-P energy: -89.898 tors. eta vs tors. theta energy: -142.138 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: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1479.584333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.584333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.584333 (E_RNA) where: Base-Base interactions energy: -954.795 where: short stacking energy: -407.403 Base-Backbone interact. energy: -0.175 local terms energy: -524.614343 where: bonds (distance) C4'-P energy: -136.902 bonds (distance) P-C4' energy: -102.234 flat angles C4'-P-C4' energy: -125.116 flat angles P-C4'-P energy: -57.941 tors. eta vs tors. theta energy: -102.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -678.474011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.474011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.474011 (E_RNA) where: Base-Base interactions energy: -249.485 where: short stacking energy: -151.195 Base-Backbone interact. energy: 0.301 local terms energy: -429.290224 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -156.350 flat angles C4'-P-C4' energy: -108.255 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: 21.269 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: 449 Temperature: 1.350000 Total energy: -534.062666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.062666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.062666 (E_RNA) where: Base-Base interactions energy: -149.746 where: short stacking energy: -127.138 Base-Backbone interact. energy: -3.630 local terms energy: -380.686755 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -129.317 flat angles C4'-P-C4' energy: -107.237 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: 38.371 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: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2661.464565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.464565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.464565 (E_RNA) where: Base-Base interactions energy: -1805.342 where: short stacking energy: -761.692 Base-Backbone interact. energy: -1.626 local terms energy: -854.496935 where: bonds (distance) C4'-P energy: -170.055 bonds (distance) P-C4' energy: -158.421 flat angles C4'-P-C4' energy: -170.220 flat angles P-C4'-P energy: -121.969 tors. eta vs tors. theta energy: -233.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2601.891732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.891732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.891732 (E_RNA) where: Base-Base interactions energy: -1788.840 where: short stacking energy: -767.483 Base-Backbone interact. energy: -3.004 local terms energy: -810.047887 where: bonds (distance) C4'-P energy: -157.442 bonds (distance) P-C4' energy: -148.317 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -228.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2519.613937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.613937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.613937 (E_RNA) where: Base-Base interactions energy: -1749.226 where: short stacking energy: -736.456 Base-Backbone interact. energy: 0.620 local terms energy: -771.007158 where: bonds (distance) C4'-P energy: -132.055 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -166.314 flat angles P-C4'-P energy: -107.238 tors. eta vs tors. theta energy: -213.921 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: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2242.878077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.878077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.878077 (E_RNA) where: Base-Base interactions energy: -1515.149 where: short stacking energy: -644.651 Base-Backbone interact. energy: -0.027 local terms energy: -727.701816 where: bonds (distance) C4'-P energy: -143.748 bonds (distance) P-C4' energy: -135.706 flat angles C4'-P-C4' energy: -146.521 flat angles P-C4'-P energy: -102.087 tors. eta vs tors. theta energy: -199.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2114.633245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.633245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.633245 (E_RNA) where: Base-Base interactions energy: -1444.190 where: short stacking energy: -613.314 Base-Backbone interact. energy: 0.653 local terms energy: -671.096228 where: bonds (distance) C4'-P energy: -128.227 bonds (distance) P-C4' energy: -127.617 flat angles C4'-P-C4' energy: -147.048 flat angles P-C4'-P energy: -94.001 tors. eta vs tors. theta energy: -174.203 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: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1835.867995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.867995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.867995 (E_RNA) where: Base-Base interactions energy: -1182.385 where: short stacking energy: -521.927 Base-Backbone interact. energy: -2.684 local terms energy: -650.799249 where: bonds (distance) C4'-P energy: -142.896 bonds (distance) P-C4' energy: -117.816 flat angles C4'-P-C4' energy: -155.131 flat angles P-C4'-P energy: -94.598 tors. eta vs tors. theta energy: -140.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1753.797118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.797118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.797118 (E_RNA) where: Base-Base interactions energy: -1131.246 where: short stacking energy: -506.490 Base-Backbone interact. energy: 1.495 local terms energy: -624.046716 where: bonds (distance) C4'-P energy: -119.945 bonds (distance) P-C4' energy: -158.731 flat angles C4'-P-C4' energy: -137.262 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -130.827 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: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1512.067720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.067720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.067720 (E_RNA) where: Base-Base interactions energy: -981.229 where: short stacking energy: -446.083 Base-Backbone interact. energy: -2.515 local terms energy: -528.323804 where: bonds (distance) C4'-P energy: -109.855 bonds (distance) P-C4' energy: -123.980 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -65.713 tors. eta vs tors. theta energy: -96.862 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: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -604.368565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.368565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.368565 (E_RNA) where: Base-Base interactions energy: -179.833 where: short stacking energy: -147.680 Base-Backbone interact. energy: 7.399 local terms energy: -431.934440 where: bonds (distance) C4'-P energy: -121.917 bonds (distance) P-C4' energy: -126.882 flat angles C4'-P-C4' energy: -111.940 flat angles P-C4'-P energy: -87.019 tors. eta vs tors. theta energy: 15.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -578.583451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.583451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.583451 (E_RNA) where: Base-Base interactions energy: -203.791 where: short stacking energy: -169.538 Base-Backbone interact. energy: 5.684 local terms energy: -380.475964 where: bonds (distance) C4'-P energy: -109.584 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: 25.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2660.402496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.402496 (E_RNA) where: Base-Base interactions energy: -1829.907 where: short stacking energy: -756.488 Base-Backbone interact. energy: -4.296 local terms energy: -826.199171 where: bonds (distance) C4'-P energy: -152.510 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -179.165 flat angles P-C4'-P energy: -114.598 tors. eta vs tors. theta energy: -233.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2621.059851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.059851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.059851 (E_RNA) where: Base-Base interactions energy: -1791.526 where: short stacking energy: -747.527 Base-Backbone interact. energy: -2.393 local terms energy: -827.141145 where: bonds (distance) C4'-P energy: -140.610 bonds (distance) P-C4' energy: -157.850 flat angles C4'-P-C4' energy: -181.279 flat angles P-C4'-P energy: -111.257 tors. eta vs tors. theta energy: -236.145 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: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2538.348358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.348358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.348358 (E_RNA) where: Base-Base interactions energy: -1783.230 where: short stacking energy: -744.848 Base-Backbone interact. energy: -3.184 local terms energy: -751.934812 where: bonds (distance) C4'-P energy: -131.728 bonds (distance) P-C4' energy: -146.359 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -103.344 tors. eta vs tors. theta energy: -216.123 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: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2294.517071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.517071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.517071 (E_RNA) where: Base-Base interactions energy: -1544.352 where: short stacking energy: -640.430 Base-Backbone interact. energy: -1.788 local terms energy: -748.376487 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -141.478 flat angles C4'-P-C4' energy: -157.799 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -198.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2136.437930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.437930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.437930 (E_RNA) where: Base-Base interactions energy: -1423.166 where: short stacking energy: -606.641 Base-Backbone interact. energy: -5.274 local terms energy: -707.997455 where: bonds (distance) C4'-P energy: -141.296 bonds (distance) P-C4' energy: -139.826 flat angles C4'-P-C4' energy: -156.858 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -174.741 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: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1829.676408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.676408 (E_RNA) where: Base-Base interactions energy: -1198.334 where: short stacking energy: -545.107 Base-Backbone interact. energy: -4.749 local terms energy: -626.593797 where: bonds (distance) C4'-P energy: -119.760 bonds (distance) P-C4' energy: -132.669 flat angles C4'-P-C4' energy: -143.509 flat angles P-C4'-P energy: -87.917 tors. eta vs tors. theta energy: -142.739 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: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1740.649488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.649488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.649488 (E_RNA) where: Base-Base interactions energy: -1142.201 where: short stacking energy: -486.634 Base-Backbone interact. energy: 1.126 local terms energy: -599.574609 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -134.646 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -90.058 tors. eta vs tors. theta energy: -126.070 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: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1414.489052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.489052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.489052 (E_RNA) where: Base-Base interactions energy: -870.548 where: short stacking energy: -397.807 Base-Backbone interact. energy: 0.294 local terms energy: -544.234826 where: bonds (distance) C4'-P energy: -142.208 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -97.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -666.075979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.075979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.075979 (E_RNA) where: Base-Base interactions energy: -272.993 where: short stacking energy: -179.486 Base-Backbone interact. energy: 0.123 local terms energy: -393.206490 where: bonds (distance) C4'-P energy: -104.690 bonds (distance) P-C4' energy: -132.277 flat angles C4'-P-C4' energy: -101.492 flat angles P-C4'-P energy: -70.005 tors. eta vs tors. theta energy: 15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -550.601064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.601064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.601064 (E_RNA) where: Base-Base interactions energy: -173.876 where: short stacking energy: -143.571 Base-Backbone interact. energy: -3.445 local terms energy: -373.280225 where: bonds (distance) C4'-P energy: -122.315 bonds (distance) P-C4' energy: -110.182 flat angles C4'-P-C4' energy: -108.106 flat angles P-C4'-P energy: -66.464 tors. eta vs tors. theta energy: 33.788 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: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2681.113432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.113432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.113432 (E_RNA) where: Base-Base interactions energy: -1849.889 where: short stacking energy: -775.267 Base-Backbone interact. energy: -2.359 local terms energy: -828.865845 where: bonds (distance) C4'-P energy: -144.479 bonds (distance) P-C4' energy: -157.370 flat angles C4'-P-C4' energy: -180.717 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -236.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2618.864138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.864138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.864138 (E_RNA) where: Base-Base interactions energy: -1812.508 where: short stacking energy: -739.808 Base-Backbone interact. energy: -3.995 local terms energy: -802.361334 where: bonds (distance) C4'-P energy: -145.342 bonds (distance) P-C4' energy: -157.913 flat angles C4'-P-C4' energy: -161.655 flat angles P-C4'-P energy: -105.637 tors. eta vs tors. theta energy: -231.815 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: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2557.914085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.914085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.914085 (E_RNA) where: Base-Base interactions energy: -1761.886 where: short stacking energy: -725.406 Base-Backbone interact. energy: 0.966 local terms energy: -796.994607 where: bonds (distance) C4'-P energy: -137.542 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -174.374 flat angles P-C4'-P energy: -112.430 tors. eta vs tors. theta energy: -225.576 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: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2302.216738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.216738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.216738 (E_RNA) where: Base-Base interactions energy: -1577.304 where: short stacking energy: -681.929 Base-Backbone interact. energy: -2.807 local terms energy: -722.106409 where: bonds (distance) C4'-P energy: -135.402 bonds (distance) P-C4' energy: -137.308 flat angles C4'-P-C4' energy: -151.271 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -215.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2092.789956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.789956 (E_RNA) where: Base-Base interactions energy: -1401.000 where: short stacking energy: -586.061 Base-Backbone interact. energy: -1.641 local terms energy: -690.149181 where: bonds (distance) C4'-P energy: -107.327 bonds (distance) P-C4' energy: -140.127 flat angles C4'-P-C4' energy: -168.684 flat angles P-C4'-P energy: -92.841 tors. eta vs tors. theta energy: -181.170 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: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1851.230994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.230994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.230994 (E_RNA) where: Base-Base interactions energy: -1209.708 where: short stacking energy: -520.675 Base-Backbone interact. energy: -0.080 local terms energy: -641.443144 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -129.128 flat angles C4'-P-C4' energy: -134.276 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -146.250 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: 452 Temperature: 1.200000 Total energy: -1718.867739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.867739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.867739 (E_RNA) where: Base-Base interactions energy: -1124.866 where: short stacking energy: -497.249 Base-Backbone interact. energy: 7.793 local terms energy: -601.794363 where: bonds (distance) C4'-P energy: -118.770 bonds (distance) P-C4' energy: -124.651 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -126.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1433.762771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.762771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.762771 (E_RNA) where: Base-Base interactions energy: -897.983 where: short stacking energy: -380.541 Base-Backbone interact. energy: 2.054 local terms energy: -537.833335 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -121.373 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -71.906 tors. eta vs tors. theta energy: -76.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -698.044695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.044695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.044695 (E_RNA) where: Base-Base interactions energy: -249.932 where: short stacking energy: -176.205 Base-Backbone interact. energy: -2.303 local terms energy: -445.810466 where: bonds (distance) C4'-P energy: -134.112 bonds (distance) P-C4' energy: -141.265 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -82.034 tors. eta vs tors. theta energy: 14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -558.456291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.456291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.456291 (E_RNA) where: Base-Base interactions energy: -203.552 where: short stacking energy: -145.525 Base-Backbone interact. energy: -1.458 local terms energy: -353.445952 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -97.531 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: 14.854 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: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2689.442376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.442376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.442376 (E_RNA) where: Base-Base interactions energy: -1846.556 where: short stacking energy: -779.208 Base-Backbone interact. energy: -4.529 local terms energy: -838.357220 where: bonds (distance) C4'-P energy: -152.611 bonds (distance) P-C4' energy: -163.947 flat angles C4'-P-C4' energy: -169.780 flat angles P-C4'-P energy: -115.926 tors. eta vs tors. theta energy: -236.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2599.317248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.317248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.317248 (E_RNA) where: Base-Base interactions energy: -1808.176 where: short stacking energy: -754.339 Base-Backbone interact. energy: -2.399 local terms energy: -788.742594 where: bonds (distance) C4'-P energy: -133.880 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -180.503 flat angles P-C4'-P energy: -115.315 tors. eta vs tors. theta energy: -220.228 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: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2542.651880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.651880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.651880 (E_RNA) where: Base-Base interactions energy: -1739.366 where: short stacking energy: -725.842 Base-Backbone interact. energy: -2.518 local terms energy: -800.767644 where: bonds (distance) C4'-P energy: -153.310 bonds (distance) P-C4' energy: -148.975 flat angles C4'-P-C4' energy: -167.583 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -221.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2242.498583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.498583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.498583 (E_RNA) where: Base-Base interactions energy: -1513.922 where: short stacking energy: -670.310 Base-Backbone interact. energy: -1.006 local terms energy: -727.570887 where: bonds (distance) C4'-P energy: -118.918 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -172.627 flat angles P-C4'-P energy: -105.225 tors. eta vs tors. theta energy: -193.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2095.071851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.071851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.071851 (E_RNA) where: Base-Base interactions energy: -1412.656 where: short stacking energy: -610.980 Base-Backbone interact. energy: 1.844 local terms energy: -684.259039 where: bonds (distance) C4'-P energy: -108.920 bonds (distance) P-C4' energy: -142.323 flat angles C4'-P-C4' energy: -149.210 flat angles P-C4'-P energy: -99.999 tors. eta vs tors. theta energy: -183.808 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: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1837.628114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.628114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.628114 (E_RNA) where: Base-Base interactions energy: -1202.502 where: short stacking energy: -517.349 Base-Backbone interact. energy: -1.879 local terms energy: -633.247600 where: bonds (distance) C4'-P energy: -140.738 bonds (distance) P-C4' energy: -135.810 flat angles C4'-P-C4' energy: -138.620 flat angles P-C4'-P energy: -89.242 tors. eta vs tors. theta energy: -128.837 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: 453 Temperature: 1.200000 Total energy: -1783.386351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.386351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.386351 (E_RNA) where: Base-Base interactions energy: -1201.010 where: short stacking energy: -521.735 Base-Backbone interact. energy: 1.093 local terms energy: -583.469205 where: bonds (distance) C4'-P energy: -119.805 bonds (distance) P-C4' energy: -133.967 flat angles C4'-P-C4' energy: -146.837 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -120.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1375.835500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.835500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.835500 (E_RNA) where: Base-Base interactions energy: -845.101 where: short stacking energy: -357.096 Base-Backbone interact. energy: -3.788 local terms energy: -526.946811 where: bonds (distance) C4'-P energy: -139.598 bonds (distance) P-C4' energy: -135.768 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -57.912 tors. eta vs tors. theta energy: -59.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -594.166654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.166654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.166654 (E_RNA) where: Base-Base interactions energy: -213.474 where: short stacking energy: -159.457 Base-Backbone interact. energy: 0.509 local terms energy: -381.201584 where: bonds (distance) C4'-P energy: -113.509 bonds (distance) P-C4' energy: -127.313 flat angles C4'-P-C4' energy: -109.035 flat angles P-C4'-P energy: -45.245 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: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -598.877378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.877378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.877378 (E_RNA) where: Base-Base interactions energy: -214.016 where: short stacking energy: -157.741 Base-Backbone interact. energy: 0.065 local terms energy: -384.926324 where: bonds (distance) C4'-P energy: -111.978 bonds (distance) P-C4' energy: -110.502 flat angles C4'-P-C4' energy: -113.871 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: 22.242 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: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2674.365353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.365353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.365353 (E_RNA) where: Base-Base interactions energy: -1828.721 where: short stacking energy: -744.871 Base-Backbone interact. energy: -3.228 local terms energy: -842.415496 where: bonds (distance) C4'-P energy: -157.570 bonds (distance) P-C4' energy: -148.561 flat angles C4'-P-C4' energy: -187.203 flat angles P-C4'-P energy: -112.467 tors. eta vs tors. theta energy: -236.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2618.191557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.191557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.191557 (E_RNA) where: Base-Base interactions energy: -1821.449 where: short stacking energy: -755.360 Base-Backbone interact. energy: -2.818 local terms energy: -793.925212 where: bonds (distance) C4'-P energy: -144.606 bonds (distance) P-C4' energy: -140.992 flat angles C4'-P-C4' energy: -162.290 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -231.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2507.487107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.487107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.487107 (E_RNA) where: Base-Base interactions energy: -1724.781 where: short stacking energy: -723.669 Base-Backbone interact. energy: -4.031 local terms energy: -778.675970 where: bonds (distance) C4'-P energy: -144.202 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -157.204 flat angles P-C4'-P energy: -116.506 tors. eta vs tors. theta energy: -213.991 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2270.446563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.446563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.446563 (E_RNA) where: Base-Base interactions energy: -1561.893 where: short stacking energy: -675.003 Base-Backbone interact. energy: -1.404 local terms energy: -707.149770 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -157.600 flat angles P-C4'-P energy: -98.697 tors. eta vs tors. theta energy: -193.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2013.078069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.078069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.078069 (E_RNA) where: Base-Base interactions energy: -1324.598 where: short stacking energy: -563.926 Base-Backbone interact. energy: 1.213 local terms energy: -689.693261 where: bonds (distance) C4'-P energy: -139.842 bonds (distance) P-C4' energy: -150.346 flat angles C4'-P-C4' energy: -143.328 flat angles P-C4'-P energy: -99.374 tors. eta vs tors. theta energy: -156.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1803.157931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.157931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.157931 (E_RNA) where: Base-Base interactions energy: -1189.812 where: short stacking energy: -482.670 Base-Backbone interact. energy: 1.033 local terms energy: -614.379458 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -146.341 flat angles C4'-P-C4' energy: -126.704 flat angles P-C4'-P energy: -86.934 tors. eta vs tors. theta energy: -132.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1747.323469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.323469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.323469 (E_RNA) where: Base-Base interactions energy: -1154.655 where: short stacking energy: -454.269 Base-Backbone interact. energy: -3.013 local terms energy: -589.655426 where: bonds (distance) C4'-P energy: -123.630 bonds (distance) P-C4' energy: -118.133 flat angles C4'-P-C4' energy: -133.525 flat angles P-C4'-P energy: -91.168 tors. eta vs tors. theta energy: -123.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1386.966509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.966509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.966509 (E_RNA) where: Base-Base interactions energy: -859.591 where: short stacking energy: -386.892 Base-Backbone interact. energy: -2.690 local terms energy: -524.685697 where: bonds (distance) C4'-P energy: -109.090 bonds (distance) P-C4' energy: -139.423 flat angles C4'-P-C4' energy: -125.178 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -81.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -607.652594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.652594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.652594 (E_RNA) where: Base-Base interactions energy: -220.877 where: short stacking energy: -146.359 Base-Backbone interact. energy: -0.006 local terms energy: -386.769094 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -154.750 flat angles C4'-P-C4' energy: -103.425 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: 30.663 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: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -597.975765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.975765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.975765 (E_RNA) where: Base-Base interactions energy: -217.310 where: short stacking energy: -134.915 Base-Backbone interact. energy: -2.393 local terms energy: -378.272985 where: bonds (distance) C4'-P energy: -133.196 bonds (distance) P-C4' energy: -105.196 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: 44.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2637.817294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.817294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.817294 (E_RNA) where: Base-Base interactions energy: -1802.243 where: short stacking energy: -745.844 Base-Backbone interact. energy: -3.674 local terms energy: -831.900590 where: bonds (distance) C4'-P energy: -142.468 bonds (distance) P-C4' energy: -161.236 flat angles C4'-P-C4' energy: -184.006 flat angles P-C4'-P energy: -108.535 tors. eta vs tors. theta energy: -235.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2612.373622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.373622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.373622 (E_RNA) where: Base-Base interactions energy: -1802.185 where: short stacking energy: -742.779 Base-Backbone interact. energy: -3.254 local terms energy: -806.934849 where: bonds (distance) C4'-P energy: -134.100 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -178.082 flat angles P-C4'-P energy: -108.485 tors. eta vs tors. theta energy: -235.984 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: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2547.369320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.369320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.369320 (E_RNA) where: Base-Base interactions energy: -1770.513 where: short stacking energy: -730.441 Base-Backbone interact. energy: -5.826 local terms energy: -771.030904 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -149.378 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -103.955 tors. eta vs tors. theta energy: -217.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2274.498362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.498362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.498362 (E_RNA) where: Base-Base interactions energy: -1525.845 where: short stacking energy: -646.182 Base-Backbone interact. energy: -1.755 local terms energy: -746.897983 where: bonds (distance) C4'-P energy: -139.408 bonds (distance) P-C4' energy: -158.461 flat angles C4'-P-C4' energy: -158.137 flat angles P-C4'-P energy: -102.416 tors. eta vs tors. theta energy: -188.475 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: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2106.349506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.349506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.349506 (E_RNA) where: Base-Base interactions energy: -1413.431 where: short stacking energy: -581.873 Base-Backbone interact. energy: -2.104 local terms energy: -690.814220 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -129.940 flat angles C4'-P-C4' energy: -146.720 flat angles P-C4'-P energy: -92.518 tors. eta vs tors. theta energy: -176.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1785.007253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.007253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.007253 (E_RNA) where: Base-Base interactions energy: -1146.023 where: short stacking energy: -480.943 Base-Backbone interact. energy: -1.834 local terms energy: -637.150400 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -151.649 flat angles P-C4'-P energy: -97.963 tors. eta vs tors. theta energy: -115.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1744.693187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.693187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.693187 (E_RNA) where: Base-Base interactions energy: -1142.158 where: short stacking energy: -509.379 Base-Backbone interact. energy: -1.250 local terms energy: -601.285719 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -133.402 flat angles C4'-P-C4' energy: -132.969 flat angles P-C4'-P energy: -73.788 tors. eta vs tors. theta energy: -132.288 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: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1394.070896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.070896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.070896 (E_RNA) where: Base-Base interactions energy: -893.667 where: short stacking energy: -417.802 Base-Backbone interact. energy: -2.921 local terms energy: -497.482832 where: bonds (distance) C4'-P energy: -106.795 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -119.482 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -80.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -632.278518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.278518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.278518 (E_RNA) where: Base-Base interactions energy: -229.512 where: short stacking energy: -182.732 Base-Backbone interact. energy: -1.062 local terms energy: -401.704228 where: bonds (distance) C4'-P energy: -108.351 bonds (distance) P-C4' energy: -117.804 flat angles C4'-P-C4' energy: -107.951 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: 3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -577.467902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.467902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.467902 (E_RNA) where: Base-Base interactions energy: -205.915 where: short stacking energy: -152.739 Base-Backbone interact. energy: 3.272 local terms energy: -374.825363 where: bonds (distance) C4'-P energy: -125.995 bonds (distance) P-C4' energy: -109.602 flat angles C4'-P-C4' energy: -111.270 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: 24.689 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: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2645.493636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.493636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.493636 (E_RNA) where: Base-Base interactions energy: -1798.221 where: short stacking energy: -756.991 Base-Backbone interact. energy: -2.747 local terms energy: -844.525604 where: bonds (distance) C4'-P energy: -148.792 bonds (distance) P-C4' energy: -155.964 flat angles C4'-P-C4' energy: -182.516 flat angles P-C4'-P energy: -127.765 tors. eta vs tors. theta energy: -229.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2574.585361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.585361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.585361 (E_RNA) where: Base-Base interactions energy: -1782.356 where: short stacking energy: -739.146 Base-Backbone interact. energy: -4.926 local terms energy: -787.302827 where: bonds (distance) C4'-P energy: -139.404 bonds (distance) P-C4' energy: -144.964 flat angles C4'-P-C4' energy: -173.157 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -223.515 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: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2534.078640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.078640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.078640 (E_RNA) where: Base-Base interactions energy: -1738.273 where: short stacking energy: -701.662 Base-Backbone interact. energy: 2.785 local terms energy: -798.591001 where: bonds (distance) C4'-P energy: -148.116 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -167.030 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -224.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2267.971436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.971436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.971436 (E_RNA) where: Base-Base interactions energy: -1510.309 where: short stacking energy: -659.257 Base-Backbone interact. energy: 0.536 local terms energy: -758.198436 where: bonds (distance) C4'-P energy: -150.465 bonds (distance) P-C4' energy: -144.335 flat angles C4'-P-C4' energy: -163.316 flat angles P-C4'-P energy: -97.862 tors. eta vs tors. theta energy: -202.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2119.020974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.020974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.020974 (E_RNA) where: Base-Base interactions energy: -1428.432 where: short stacking energy: -594.167 Base-Backbone interact. energy: -2.142 local terms energy: -688.447844 where: bonds (distance) C4'-P energy: -139.419 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -98.380 tors. eta vs tors. theta energy: -185.794 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: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1788.553095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.553095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.553095 (E_RNA) where: Base-Base interactions energy: -1175.382 where: short stacking energy: -501.795 Base-Backbone interact. energy: -3.569 local terms energy: -609.602543 where: bonds (distance) C4'-P energy: -119.293 bonds (distance) P-C4' energy: -133.392 flat angles C4'-P-C4' energy: -140.368 flat angles P-C4'-P energy: -83.936 tors. eta vs tors. theta energy: -132.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1711.404062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.404062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.404062 (E_RNA) where: Base-Base interactions energy: -1098.639 where: short stacking energy: -500.008 Base-Backbone interact. energy: -2.958 local terms energy: -609.806313 where: bonds (distance) C4'-P energy: -108.803 bonds (distance) P-C4' energy: -133.976 flat angles C4'-P-C4' energy: -141.581 flat angles P-C4'-P energy: -100.218 tors. eta vs tors. theta energy: -125.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1383.722790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.722790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.722790 (E_RNA) where: Base-Base interactions energy: -872.457 where: short stacking energy: -384.755 Base-Backbone interact. energy: 1.303 local terms energy: -512.568155 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -121.155 flat angles P-C4'-P energy: -80.055 tors. eta vs tors. theta energy: -76.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -635.818414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.818414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.818414 (E_RNA) where: Base-Base interactions energy: -243.434 where: short stacking energy: -182.648 Base-Backbone interact. energy: 4.533 local terms energy: -396.917854 where: bonds (distance) C4'-P energy: -122.233 bonds (distance) P-C4' energy: -143.106 flat angles C4'-P-C4' energy: -101.820 flat angles P-C4'-P energy: -47.822 tors. eta vs tors. theta energy: 18.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -575.830374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.830374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.830374 (E_RNA) where: Base-Base interactions energy: -210.677 where: short stacking energy: -158.523 Base-Backbone interact. energy: 4.119 local terms energy: -369.272895 where: bonds (distance) C4'-P energy: -116.971 bonds (distance) P-C4' energy: -131.103 flat angles C4'-P-C4' energy: -96.352 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: 23.791 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) out arg RESULTS//1/R1212-baa698ca_01 ================================== temp. level: 1, replica: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2645.923363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.923363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.923363 (E_RNA) where: Base-Base interactions energy: -1829.306 where: short stacking energy: -770.496 Base-Backbone interact. energy: -2.494 local terms energy: -814.124118 where: bonds (distance) C4'-P energy: -150.311 bonds (distance) P-C4' energy: -153.809 flat angles C4'-P-C4' energy: -161.671 flat angles P-C4'-P energy: -115.330 tors. eta vs tors. theta energy: -233.004 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: 457 Temperature: 0.950000 Total energy: -2557.509962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.509962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.509962 (E_RNA) where: Base-Base interactions energy: -1758.624 where: short stacking energy: -698.882 Base-Backbone interact. energy: 0.476 local terms energy: -799.361849 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -142.239 flat angles C4'-P-C4' energy: -165.044 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -223.413 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: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2512.058082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.058082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.058082 (E_RNA) where: Base-Base interactions energy: -1777.540 where: short stacking energy: -736.747 Base-Backbone interact. energy: -2.623 local terms energy: -731.894712 where: bonds (distance) C4'-P energy: -132.822 bonds (distance) P-C4' energy: -125.975 flat angles C4'-P-C4' energy: -147.154 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -216.134 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: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2298.451219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.451219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.451219 (E_RNA) where: Base-Base interactions energy: -1557.906 where: short stacking energy: -657.645 Base-Backbone interact. energy: -3.322 local terms energy: -737.223412 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -139.441 flat angles C4'-P-C4' energy: -159.608 flat angles P-C4'-P energy: -100.721 tors. eta vs tors. theta energy: -196.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2132.027157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.027157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.027157 (E_RNA) where: Base-Base interactions energy: -1406.164 where: short stacking energy: -627.308 Base-Backbone interact. energy: 2.170 local terms energy: -728.032933 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -154.506 flat angles P-C4'-P energy: -107.555 tors. eta vs tors. theta energy: -188.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1798.509820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.509820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.509820 (E_RNA) where: Base-Base interactions energy: -1174.265 where: short stacking energy: -528.287 Base-Backbone interact. energy: -1.964 local terms energy: -622.281511 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -142.838 flat angles P-C4'-P energy: -79.085 tors. eta vs tors. theta energy: -132.427 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: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1728.015731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.015731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.015731 (E_RNA) where: Base-Base interactions energy: -1079.852 where: short stacking energy: -468.202 Base-Backbone interact. energy: -2.704 local terms energy: -645.460116 where: bonds (distance) C4'-P energy: -154.180 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -142.065 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -120.383 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1466.478182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.478182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.478182 (E_RNA) where: Base-Base interactions energy: -883.210 where: short stacking energy: -356.939 Base-Backbone interact. energy: 0.899 local terms energy: -584.167423 where: bonds (distance) C4'-P energy: -126.936 bonds (distance) P-C4' energy: -148.091 flat angles C4'-P-C4' energy: -144.257 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -85.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -690.457913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.457913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.457913 (E_RNA) where: Base-Base interactions energy: -276.125 where: short stacking energy: -161.885 Base-Backbone interact. energy: -3.385 local terms energy: -410.947727 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -158.535 flat angles C4'-P-C4' energy: -104.753 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: 37.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -586.127514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.127514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.127514 (E_RNA) where: Base-Base interactions energy: -166.356 where: short stacking energy: -144.905 Base-Backbone interact. energy: -4.792 local terms energy: -414.979044 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -125.836 flat angles C4'-P-C4' energy: -115.838 flat angles P-C4'-P energy: -64.172 tors. eta vs tors. theta energy: 21.377 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: 458 Temperature: 0.900000 Total energy: -2668.787487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.787487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.787487 (E_RNA) where: Base-Base interactions energy: -1832.254 where: short stacking energy: -783.128 Base-Backbone interact. energy: -2.987 local terms energy: -833.546767 where: bonds (distance) C4'-P energy: -150.657 bonds (distance) P-C4' energy: -157.574 flat angles C4'-P-C4' energy: -171.019 flat angles P-C4'-P energy: -120.880 tors. eta vs tors. theta energy: -233.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2593.747468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.747468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.747468 (E_RNA) where: Base-Base interactions energy: -1790.580 where: short stacking energy: -772.849 Base-Backbone interact. energy: -4.911 local terms energy: -798.256430 where: bonds (distance) C4'-P energy: -136.195 bonds (distance) P-C4' energy: -151.577 flat angles C4'-P-C4' energy: -162.601 flat angles P-C4'-P energy: -116.783 tors. eta vs tors. theta energy: -231.101 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: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2511.595957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.595957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.595957 (E_RNA) where: Base-Base interactions energy: -1750.438 where: short stacking energy: -708.275 Base-Backbone interact. energy: 0.185 local terms energy: -761.343117 where: bonds (distance) C4'-P energy: -137.313 bonds (distance) P-C4' energy: -127.181 flat angles C4'-P-C4' energy: -164.314 flat angles P-C4'-P energy: -112.514 tors. eta vs tors. theta energy: -220.020 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: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2295.100942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.100942 (E_RNA) where: Base-Base interactions energy: -1570.033 where: short stacking energy: -692.974 Base-Backbone interact. energy: -2.725 local terms energy: -722.343686 where: bonds (distance) C4'-P energy: -126.360 bonds (distance) P-C4' energy: -154.324 flat angles C4'-P-C4' energy: -148.470 flat angles P-C4'-P energy: -102.120 tors. eta vs tors. theta energy: -191.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2123.256405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.256405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.256405 (E_RNA) where: Base-Base interactions energy: -1445.881 where: short stacking energy: -637.602 Base-Backbone interact. energy: 1.690 local terms energy: -679.065322 where: bonds (distance) C4'-P energy: -123.785 bonds (distance) P-C4' energy: -139.851 flat angles C4'-P-C4' energy: -138.776 flat angles P-C4'-P energy: -83.730 tors. eta vs tors. theta energy: -192.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1786.049664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.049664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.049664 (E_RNA) where: Base-Base interactions energy: -1161.830 where: short stacking energy: -483.298 Base-Backbone interact. energy: -1.993 local terms energy: -622.226546 where: bonds (distance) C4'-P energy: -129.730 bonds (distance) P-C4' energy: -137.314 flat angles C4'-P-C4' energy: -141.026 flat angles P-C4'-P energy: -93.866 tors. eta vs tors. theta energy: -120.291 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: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1704.192213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.192213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.192213 (E_RNA) where: Base-Base interactions energy: -1144.390 where: short stacking energy: -481.163 Base-Backbone interact. energy: 1.677 local terms energy: -561.478564 where: bonds (distance) C4'-P energy: -102.682 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -86.430 tors. eta vs tors. theta energy: -111.066 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: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1455.303984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.303984 (E_RNA) where: Base-Base interactions energy: -943.035 where: short stacking energy: -420.378 Base-Backbone interact. energy: 4.540 local terms energy: -516.808882 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -133.539 flat angles C4'-P-C4' energy: -103.888 flat angles P-C4'-P energy: -82.549 tors. eta vs tors. theta energy: -87.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -727.197865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.197865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.197865 (E_RNA) where: Base-Base interactions energy: -302.610 where: short stacking energy: -196.124 Base-Backbone interact. energy: -1.906 local terms energy: -422.682170 where: bonds (distance) C4'-P energy: -111.084 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -98.021 flat angles P-C4'-P energy: -74.362 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -576.412149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.412149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.412149 (E_RNA) where: Base-Base interactions energy: -243.547 where: short stacking energy: -158.730 Base-Backbone interact. energy: 2.101 local terms energy: -334.966099 where: bonds (distance) C4'-P energy: -111.527 bonds (distance) P-C4' energy: -128.185 flat angles C4'-P-C4' energy: -93.879 flat angles P-C4'-P energy: -30.614 tors. eta vs tors. theta energy: 29.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2600.893978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.893978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.893978 (E_RNA) where: Base-Base interactions energy: -1800.965 where: short stacking energy: -742.432 Base-Backbone interact. energy: 1.269 local terms energy: -801.197838 where: bonds (distance) C4'-P energy: -138.378 bonds (distance) P-C4' energy: -152.569 flat angles C4'-P-C4' energy: -165.114 flat angles P-C4'-P energy: -116.133 tors. eta vs tors. theta energy: -229.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2584.248951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.248951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.248951 (E_RNA) where: Base-Base interactions energy: -1784.518 where: short stacking energy: -767.082 Base-Backbone interact. energy: 0.304 local terms energy: -800.035005 where: bonds (distance) C4'-P energy: -138.267 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -164.731 flat angles P-C4'-P energy: -123.980 tors. eta vs tors. theta energy: -222.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2486.927484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.927484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.927484 (E_RNA) where: Base-Base interactions energy: -1731.607 where: short stacking energy: -718.525 Base-Backbone interact. energy: -3.466 local terms energy: -751.854792 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -145.777 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -90.323 tors. eta vs tors. theta energy: -211.598 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: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2257.244580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.244580 (E_RNA) where: Base-Base interactions energy: -1541.526 where: short stacking energy: -658.618 Base-Backbone interact. energy: 0.924 local terms energy: -716.642752 where: bonds (distance) C4'-P energy: -139.406 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -150.090 flat angles P-C4'-P energy: -90.034 tors. eta vs tors. theta energy: -202.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2120.613466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.613466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.613466 (E_RNA) where: Base-Base interactions energy: -1428.301 where: short stacking energy: -610.399 Base-Backbone interact. energy: -3.119 local terms energy: -689.192943 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -122.411 flat angles C4'-P-C4' energy: -144.104 flat angles P-C4'-P energy: -90.094 tors. eta vs tors. theta energy: -195.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1719.142946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.142946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.142946 (E_RNA) where: Base-Base interactions energy: -1114.345 where: short stacking energy: -497.529 Base-Backbone interact. energy: -2.086 local terms energy: -602.712341 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -122.308 flat angles C4'-P-C4' energy: -136.222 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -120.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1633.852725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.852725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.852725 (E_RNA) where: Base-Base interactions energy: -1034.700 where: short stacking energy: -420.951 Base-Backbone interact. energy: -4.522 local terms energy: -594.630784 where: bonds (distance) C4'-P energy: -131.645 bonds (distance) P-C4' energy: -125.403 flat angles C4'-P-C4' energy: -137.011 flat angles P-C4'-P energy: -88.300 tors. eta vs tors. theta energy: -112.272 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: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1463.493068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.493068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.493068 (E_RNA) where: Base-Base interactions energy: -925.068 where: short stacking energy: -417.899 Base-Backbone interact. energy: 2.417 local terms energy: -540.841826 where: bonds (distance) C4'-P energy: -119.234 bonds (distance) P-C4' energy: -115.060 flat angles C4'-P-C4' energy: -138.885 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -96.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -739.328272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.328272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.328272 (E_RNA) where: Base-Base interactions energy: -348.199 where: short stacking energy: -228.539 Base-Backbone interact. energy: 0.392 local terms energy: -391.520555 where: bonds (distance) C4'-P energy: -124.818 bonds (distance) P-C4' energy: -131.474 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: 16.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -576.195312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.195312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.195312 (E_RNA) where: Base-Base interactions energy: -223.540 where: short stacking energy: -158.549 Base-Backbone interact. energy: 3.107 local terms energy: -355.762181 where: bonds (distance) C4'-P energy: -98.219 bonds (distance) P-C4' energy: -130.622 flat angles C4'-P-C4' energy: -102.660 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: 36.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2615.762917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.762917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.762917 (E_RNA) where: Base-Base interactions energy: -1798.854 where: short stacking energy: -732.733 Base-Backbone interact. energy: -5.547 local terms energy: -811.361682 where: bonds (distance) C4'-P energy: -144.894 bonds (distance) P-C4' energy: -156.067 flat angles C4'-P-C4' energy: -171.977 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -225.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2582.012800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.012800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.012800 (E_RNA) where: Base-Base interactions energy: -1797.970 where: short stacking energy: -746.196 Base-Backbone interact. energy: -3.107 local terms energy: -780.935664 where: bonds (distance) C4'-P energy: -145.848 bonds (distance) P-C4' energy: -144.526 flat angles C4'-P-C4' energy: -164.599 flat angles P-C4'-P energy: -107.223 tors. eta vs tors. theta energy: -218.741 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: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2480.184315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.184315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.184315 (E_RNA) where: Base-Base interactions energy: -1691.182 where: short stacking energy: -697.080 Base-Backbone interact. energy: -4.340 local terms energy: -784.662060 where: bonds (distance) C4'-P energy: -130.708 bonds (distance) P-C4' energy: -155.716 flat angles C4'-P-C4' energy: -161.818 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -228.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2302.389143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.389143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.389143 (E_RNA) where: Base-Base interactions energy: -1553.647 where: short stacking energy: -673.172 Base-Backbone interact. energy: -0.764 local terms energy: -747.977996 where: bonds (distance) C4'-P energy: -124.933 bonds (distance) P-C4' energy: -141.267 flat angles C4'-P-C4' energy: -168.778 flat angles P-C4'-P energy: -115.387 tors. eta vs tors. theta energy: -197.613 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: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2158.005058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.005058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.005058 (E_RNA) where: Base-Base interactions energy: -1455.743 where: short stacking energy: -611.223 Base-Backbone interact. energy: -1.604 local terms energy: -700.658241 where: bonds (distance) C4'-P energy: -128.965 bonds (distance) P-C4' energy: -138.507 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -190.280 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: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1770.822255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.822255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.822255 (E_RNA) where: Base-Base interactions energy: -1154.149 where: short stacking energy: -526.467 Base-Backbone interact. energy: 0.454 local terms energy: -617.127186 where: bonds (distance) C4'-P energy: -117.903 bonds (distance) P-C4' energy: -146.265 flat angles C4'-P-C4' energy: -131.260 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: -138.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1648.981975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.981975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.981975 (E_RNA) where: Base-Base interactions energy: -1073.460 where: short stacking energy: -441.115 Base-Backbone interact. energy: 0.322 local terms energy: -575.843607 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -137.671 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: -105.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1404.356858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.356858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.356858 (E_RNA) where: Base-Base interactions energy: -916.148 where: short stacking energy: -395.160 Base-Backbone interact. energy: -3.621 local terms energy: -484.588488 where: bonds (distance) C4'-P energy: -116.446 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -109.159 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -66.407 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: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -688.041952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.041952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.041952 (E_RNA) where: Base-Base interactions energy: -257.498 where: short stacking energy: -174.988 Base-Backbone interact. energy: -1.714 local terms energy: -428.830013 where: bonds (distance) C4'-P energy: -118.508 bonds (distance) P-C4' energy: -139.995 flat angles C4'-P-C4' energy: -117.905 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: 29.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -543.545950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.545950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.545950 (E_RNA) where: Base-Base interactions energy: -157.936 where: short stacking energy: -144.846 Base-Backbone interact. energy: -0.594 local terms energy: -385.016062 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -102.713 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: 23.964 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: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2608.261507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.261507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.261507 (E_RNA) where: Base-Base interactions energy: -1780.122 where: short stacking energy: -750.766 Base-Backbone interact. energy: -1.951 local terms energy: -826.188630 where: bonds (distance) C4'-P energy: -150.564 bonds (distance) P-C4' energy: -164.881 flat angles C4'-P-C4' energy: -166.573 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -229.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2605.107712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.107712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.107712 (E_RNA) where: Base-Base interactions energy: -1783.069 where: short stacking energy: -737.995 Base-Backbone interact. energy: -0.928 local terms energy: -821.111537 where: bonds (distance) C4'-P energy: -153.423 bonds (distance) P-C4' energy: -159.024 flat angles C4'-P-C4' energy: -169.476 flat angles P-C4'-P energy: -109.384 tors. eta vs tors. theta energy: -229.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2521.609403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.609403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.609403 (E_RNA) where: Base-Base interactions energy: -1748.367 where: short stacking energy: -722.731 Base-Backbone interact. energy: -2.329 local terms energy: -770.912834 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -140.862 flat angles C4'-P-C4' energy: -168.716 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -220.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2269.630466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.630466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.630466 (E_RNA) where: Base-Base interactions energy: -1546.123 where: short stacking energy: -667.796 Base-Backbone interact. energy: 3.854 local terms energy: -727.361609 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -138.321 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -192.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2125.602944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.602944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.602944 (E_RNA) where: Base-Base interactions energy: -1416.478 where: short stacking energy: -610.592 Base-Backbone interact. energy: -1.328 local terms energy: -707.796308 where: bonds (distance) C4'-P energy: -138.895 bonds (distance) P-C4' energy: -131.746 flat angles C4'-P-C4' energy: -164.018 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -173.629 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: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1803.956940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.956940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.956940 (E_RNA) where: Base-Base interactions energy: -1161.238 where: short stacking energy: -531.142 Base-Backbone interact. energy: -2.401 local terms energy: -640.317932 where: bonds (distance) C4'-P energy: -125.050 bonds (distance) P-C4' energy: -149.925 flat angles C4'-P-C4' energy: -140.121 flat angles P-C4'-P energy: -87.141 tors. eta vs tors. theta energy: -138.081 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: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1647.671005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.671005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.671005 (E_RNA) where: Base-Base interactions energy: -1059.366 where: short stacking energy: -455.172 Base-Backbone interact. energy: -2.033 local terms energy: -586.271929 where: bonds (distance) C4'-P energy: -104.618 bonds (distance) P-C4' energy: -127.484 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -92.907 tors. eta vs tors. theta energy: -111.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1478.969292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.969292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.969292 (E_RNA) where: Base-Base interactions energy: -963.279 where: short stacking energy: -413.459 Base-Backbone interact. energy: -0.817 local terms energy: -514.873492 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -125.183 flat angles C4'-P-C4' energy: -135.333 flat angles P-C4'-P energy: -60.889 tors. eta vs tors. theta energy: -82.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -695.404163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.404163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.404163 (E_RNA) where: Base-Base interactions energy: -287.814 where: short stacking energy: -186.404 Base-Backbone interact. energy: -1.330 local terms energy: -406.260241 where: bonds (distance) C4'-P energy: -89.572 bonds (distance) P-C4' energy: -146.286 flat angles C4'-P-C4' energy: -121.932 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: 6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -585.442342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.442342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.442342 (E_RNA) where: Base-Base interactions energy: -227.292 where: short stacking energy: -163.170 Base-Backbone interact. energy: 3.955 local terms energy: -362.105528 where: bonds (distance) C4'-P energy: -106.993 bonds (distance) P-C4' energy: -116.710 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -58.560 tors. eta vs tors. theta energy: 25.672 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: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2680.435575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.435575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.435575 (E_RNA) where: Base-Base interactions energy: -1845.241 where: short stacking energy: -779.324 Base-Backbone interact. energy: -1.738 local terms energy: -833.456918 where: bonds (distance) C4'-P energy: -152.547 bonds (distance) P-C4' energy: -159.746 flat angles C4'-P-C4' energy: -177.750 flat angles P-C4'-P energy: -109.110 tors. eta vs tors. theta energy: -234.304 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: 462 Temperature: 0.950000 Total energy: -2574.539295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.539295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.539295 (E_RNA) where: Base-Base interactions energy: -1767.658 where: short stacking energy: -762.714 Base-Backbone interact. energy: -3.116 local terms energy: -803.765790 where: bonds (distance) C4'-P energy: -162.595 bonds (distance) P-C4' energy: -131.838 flat angles C4'-P-C4' energy: -166.637 flat angles P-C4'-P energy: -105.191 tors. eta vs tors. theta energy: -237.504 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: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2555.397255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.397255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.397255 (E_RNA) where: Base-Base interactions energy: -1757.514 where: short stacking energy: -758.639 Base-Backbone interact. energy: -1.533 local terms energy: -796.350190 where: bonds (distance) C4'-P energy: -157.857 bonds (distance) P-C4' energy: -144.237 flat angles C4'-P-C4' energy: -155.021 flat angles P-C4'-P energy: -114.810 tors. eta vs tors. theta energy: -224.425 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: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2232.248915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.248915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.248915 (E_RNA) where: Base-Base interactions energy: -1522.645 where: short stacking energy: -643.194 Base-Backbone interact. energy: -1.493 local terms energy: -708.111536 where: bonds (distance) C4'-P energy: -129.403 bonds (distance) P-C4' energy: -135.387 flat angles C4'-P-C4' energy: -164.614 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -177.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2154.525175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.525175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.525175 (E_RNA) where: Base-Base interactions energy: -1451.790 where: short stacking energy: -614.590 Base-Backbone interact. energy: 3.178 local terms energy: -705.912360 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -128.985 flat angles C4'-P-C4' energy: -150.174 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -186.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1771.865096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.865096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.865096 (E_RNA) where: Base-Base interactions energy: -1108.380 where: short stacking energy: -490.613 Base-Backbone interact. energy: -0.585 local terms energy: -662.900530 where: bonds (distance) C4'-P energy: -136.132 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -159.474 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -123.103 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: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1693.867112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.867112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.867112 (E_RNA) where: Base-Base interactions energy: -1111.731 where: short stacking energy: -484.177 Base-Backbone interact. energy: -3.461 local terms energy: -578.675123 where: bonds (distance) C4'-P energy: -130.662 bonds (distance) P-C4' energy: -122.389 flat angles C4'-P-C4' energy: -124.170 flat angles P-C4'-P energy: -90.261 tors. eta vs tors. theta energy: -111.194 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: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1456.606758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.606758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.606758 (E_RNA) where: Base-Base interactions energy: -914.054 where: short stacking energy: -413.010 Base-Backbone interact. energy: 2.754 local terms energy: -545.306449 where: bonds (distance) C4'-P energy: -126.273 bonds (distance) P-C4' energy: -140.692 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -97.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -699.567650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.567650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.567650 (E_RNA) where: Base-Base interactions energy: -290.231 where: short stacking energy: -217.083 Base-Backbone interact. energy: 2.102 local terms energy: -411.439158 where: bonds (distance) C4'-P energy: -127.556 bonds (distance) P-C4' energy: -116.788 flat angles C4'-P-C4' energy: -126.039 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: 10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -657.819986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.819986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.819986 (E_RNA) where: Base-Base interactions energy: -257.941 where: short stacking energy: -181.465 Base-Backbone interact. energy: 4.078 local terms energy: -403.956512 where: bonds (distance) C4'-P energy: -123.910 bonds (distance) P-C4' energy: -129.725 flat angles C4'-P-C4' energy: -103.630 flat angles P-C4'-P energy: -53.897 tors. eta vs tors. theta energy: 7.206 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: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2671.632908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.632908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.632908 (E_RNA) where: Base-Base interactions energy: -1852.443 where: short stacking energy: -779.770 Base-Backbone interact. energy: 1.462 local terms energy: -820.651189 where: bonds (distance) C4'-P energy: -145.614 bonds (distance) P-C4' energy: -156.344 flat angles C4'-P-C4' energy: -178.767 flat angles P-C4'-P energy: -107.873 tors. eta vs tors. theta energy: -232.054 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: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2570.916526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.916526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.916526 (E_RNA) where: Base-Base interactions energy: -1792.202 where: short stacking energy: -767.005 Base-Backbone interact. energy: -3.021 local terms energy: -775.694367 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -145.677 flat angles C4'-P-C4' energy: -162.620 flat angles P-C4'-P energy: -108.677 tors. eta vs tors. theta energy: -220.565 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: 463 Temperature: 1.000000 Total energy: -2507.369210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.369210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.369210 (E_RNA) where: Base-Base interactions energy: -1720.224 where: short stacking energy: -731.157 Base-Backbone interact. energy: -0.374 local terms energy: -786.771600 where: bonds (distance) C4'-P energy: -138.061 bonds (distance) P-C4' energy: -148.093 flat angles C4'-P-C4' energy: -168.747 flat angles P-C4'-P energy: -108.256 tors. eta vs tors. theta energy: -223.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2247.244224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.244224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.244224 (E_RNA) where: Base-Base interactions energy: -1513.086 where: short stacking energy: -632.238 Base-Backbone interact. energy: -3.252 local terms energy: -730.906911 where: bonds (distance) C4'-P energy: -126.141 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -146.546 flat angles P-C4'-P energy: -117.112 tors. eta vs tors. theta energy: -198.332 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: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2138.326955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.326955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.326955 (E_RNA) where: Base-Base interactions energy: -1452.746 where: short stacking energy: -606.716 Base-Backbone interact. energy: -2.205 local terms energy: -683.375461 where: bonds (distance) C4'-P energy: -133.513 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -158.342 flat angles P-C4'-P energy: -99.856 tors. eta vs tors. theta energy: -161.438 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: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1779.519508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.519508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.519508 (E_RNA) where: Base-Base interactions energy: -1152.650 where: short stacking energy: -508.875 Base-Backbone interact. energy: -3.628 local terms energy: -623.241741 where: bonds (distance) C4'-P energy: -108.761 bonds (distance) P-C4' energy: -116.394 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -93.568 tors. eta vs tors. theta energy: -148.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1666.585531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.585531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.585531 (E_RNA) where: Base-Base interactions energy: -1137.307 where: short stacking energy: -473.390 Base-Backbone interact. energy: 3.281 local terms energy: -532.559570 where: bonds (distance) C4'-P energy: -103.266 bonds (distance) P-C4' energy: -136.226 flat angles C4'-P-C4' energy: -126.991 flat angles P-C4'-P energy: -56.867 tors. eta vs tors. theta energy: -109.209 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: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1351.384697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.384697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.384697 (E_RNA) where: Base-Base interactions energy: -842.898 where: short stacking energy: -391.987 Base-Backbone interact. energy: 2.543 local terms energy: -511.029237 where: bonds (distance) C4'-P energy: -118.716 bonds (distance) P-C4' energy: -120.573 flat angles C4'-P-C4' energy: -118.058 flat angles P-C4'-P energy: -75.255 tors. eta vs tors. theta energy: -78.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -677.169984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.169984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.169984 (E_RNA) where: Base-Base interactions energy: -285.990 where: short stacking energy: -170.778 Base-Backbone interact. energy: -2.705 local terms energy: -388.474852 where: bonds (distance) C4'-P energy: -114.359 bonds (distance) P-C4' energy: -138.219 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -58.547 tors. eta vs tors. theta energy: 28.319 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: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -571.123282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.123282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.123282 (E_RNA) where: Base-Base interactions energy: -203.216 where: short stacking energy: -135.799 Base-Backbone interact. energy: -1.757 local terms energy: -366.150363 where: bonds (distance) C4'-P energy: -126.853 bonds (distance) P-C4' energy: -116.499 flat angles C4'-P-C4' energy: -86.529 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: 38.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2694.361107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.361107 (E_RNA) where: Base-Base interactions energy: -1872.555 where: short stacking energy: -803.535 Base-Backbone interact. energy: 0.777 local terms energy: -822.583382 where: bonds (distance) C4'-P energy: -143.573 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -170.285 flat angles P-C4'-P energy: -106.550 tors. eta vs tors. theta energy: -247.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2614.441656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.441656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.441656 (E_RNA) where: Base-Base interactions energy: -1803.408 where: short stacking energy: -752.298 Base-Backbone interact. energy: 0.158 local terms energy: -811.191224 where: bonds (distance) C4'-P energy: -145.296 bonds (distance) P-C4' energy: -163.203 flat angles C4'-P-C4' energy: -156.985 flat angles P-C4'-P energy: -109.211 tors. eta vs tors. theta energy: -236.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2501.292642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.292642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.292642 (E_RNA) where: Base-Base interactions energy: -1723.824 where: short stacking energy: -701.744 Base-Backbone interact. energy: -3.955 local terms energy: -773.514023 where: bonds (distance) C4'-P energy: -142.583 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -169.232 flat angles P-C4'-P energy: -102.389 tors. eta vs tors. theta energy: -212.212 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: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2232.961734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.961734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.961734 (E_RNA) where: Base-Base interactions energy: -1495.059 where: short stacking energy: -648.008 Base-Backbone interact. energy: -4.053 local terms energy: -733.850110 where: bonds (distance) C4'-P energy: -118.728 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -163.635 flat angles P-C4'-P energy: -113.670 tors. eta vs tors. theta energy: -188.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2152.220610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.220610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.220610 (E_RNA) where: Base-Base interactions energy: -1432.274 where: short stacking energy: -604.931 Base-Backbone interact. energy: -1.738 local terms energy: -718.208424 where: bonds (distance) C4'-P energy: -145.767 bonds (distance) P-C4' energy: -127.325 flat angles C4'-P-C4' energy: -154.970 flat angles P-C4'-P energy: -103.772 tors. eta vs tors. theta energy: -186.376 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: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1777.700689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.700689 (E_RNA) where: Base-Base interactions energy: -1161.319 where: short stacking energy: -512.479 Base-Backbone interact. energy: 0.954 local terms energy: -617.335646 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -135.626 flat angles C4'-P-C4' energy: -149.009 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -122.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1573.147917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.147917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.147917 (E_RNA) where: Base-Base interactions energy: -995.977 where: short stacking energy: -414.687 Base-Backbone interact. energy: -2.672 local terms energy: -574.498622 where: bonds (distance) C4'-P energy: -142.337 bonds (distance) P-C4' energy: -134.216 flat angles C4'-P-C4' energy: -130.875 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -83.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1390.146066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.146066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.146066 (E_RNA) where: Base-Base interactions energy: -898.381 where: short stacking energy: -380.105 Base-Backbone interact. energy: -4.219 local terms energy: -487.546114 where: bonds (distance) C4'-P energy: -118.932 bonds (distance) P-C4' energy: -136.701 flat angles C4'-P-C4' energy: -111.945 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: -67.892 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: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -690.542771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.542771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.542771 (E_RNA) where: Base-Base interactions energy: -328.306 where: short stacking energy: -180.405 Base-Backbone interact. energy: -2.601 local terms energy: -359.636109 where: bonds (distance) C4'-P energy: -116.948 bonds (distance) P-C4' energy: -121.722 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -57.217 tors. eta vs tors. theta energy: 27.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -626.615342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.615342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.615342 (E_RNA) where: Base-Base interactions energy: -246.570 where: short stacking energy: -175.232 Base-Backbone interact. energy: 3.571 local terms energy: -383.616523 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -128.397 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: 40.771 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: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2658.331870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.331870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.331870 (E_RNA) where: Base-Base interactions energy: -1830.566 where: short stacking energy: -763.994 Base-Backbone interact. energy: -1.403 local terms energy: -826.363545 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -147.416 flat angles C4'-P-C4' energy: -180.873 flat angles P-C4'-P energy: -114.476 tors. eta vs tors. theta energy: -237.317 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: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2609.492243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.492243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.492243 (E_RNA) where: Base-Base interactions energy: -1806.345 where: short stacking energy: -748.610 Base-Backbone interact. energy: -2.139 local terms energy: -801.008363 where: bonds (distance) C4'-P energy: -145.433 bonds (distance) P-C4' energy: -149.579 flat angles C4'-P-C4' energy: -174.375 flat angles P-C4'-P energy: -107.740 tors. eta vs tors. theta energy: -223.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2559.594114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.594114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.594114 (E_RNA) where: Base-Base interactions energy: -1747.522 where: short stacking energy: -729.117 Base-Backbone interact. energy: -6.104 local terms energy: -805.968422 where: bonds (distance) C4'-P energy: -156.122 bonds (distance) P-C4' energy: -145.694 flat angles C4'-P-C4' energy: -161.383 flat angles P-C4'-P energy: -117.589 tors. eta vs tors. theta energy: -225.181 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: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2222.609999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.609999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.609999 (E_RNA) where: Base-Base interactions energy: -1498.677 where: short stacking energy: -639.703 Base-Backbone interact. energy: 4.318 local terms energy: -728.251263 where: bonds (distance) C4'-P energy: -139.163 bonds (distance) P-C4' energy: -141.616 flat angles C4'-P-C4' energy: -152.145 flat angles P-C4'-P energy: -107.027 tors. eta vs tors. theta energy: -188.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2151.754095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.754095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.754095 (E_RNA) where: Base-Base interactions energy: -1451.862 where: short stacking energy: -629.859 Base-Backbone interact. energy: 3.100 local terms energy: -702.991759 where: bonds (distance) C4'-P energy: -119.317 bonds (distance) P-C4' energy: -135.786 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -111.331 tors. eta vs tors. theta energy: -192.446 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: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1626.473873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.473873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.473873 (E_RNA) where: Base-Base interactions energy: -1045.055 where: short stacking energy: -466.975 Base-Backbone interact. energy: -3.016 local terms energy: -578.402642 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -90.421 tors. eta vs tors. theta energy: -106.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1788.460402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.460402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.460402 (E_RNA) where: Base-Base interactions energy: -1167.854 where: short stacking energy: -521.987 Base-Backbone interact. energy: -0.744 local terms energy: -619.863138 where: bonds (distance) C4'-P energy: -129.126 bonds (distance) P-C4' energy: -129.226 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -96.427 tors. eta vs tors. theta energy: -134.288 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: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1435.045250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.045250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.045250 (E_RNA) where: Base-Base interactions energy: -904.850 where: short stacking energy: -396.502 Base-Backbone interact. energy: 2.930 local terms energy: -533.125225 where: bonds (distance) C4'-P energy: -118.372 bonds (distance) P-C4' energy: -129.007 flat angles C4'-P-C4' energy: -133.289 flat angles P-C4'-P energy: -72.888 tors. eta vs tors. theta energy: -79.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -760.207385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.207385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.207385 (E_RNA) where: Base-Base interactions energy: -349.662 where: short stacking energy: -196.507 Base-Backbone interact. energy: 2.501 local terms energy: -413.045517 where: bonds (distance) C4'-P energy: -126.247 bonds (distance) P-C4' energy: -128.351 flat angles C4'-P-C4' energy: -95.829 flat angles P-C4'-P energy: -68.813 tors. eta vs tors. theta energy: 6.194 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: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -548.627781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.627781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.627781 (E_RNA) where: Base-Base interactions energy: -184.621 where: short stacking energy: -114.804 Base-Backbone interact. energy: 1.288 local terms energy: -365.295062 where: bonds (distance) C4'-P energy: -119.978 bonds (distance) P-C4' energy: -130.439 flat angles C4'-P-C4' energy: -95.371 flat angles P-C4'-P energy: -58.747 tors. eta vs tors. theta energy: 39.240 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2626.145018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.145018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.145018 (E_RNA) where: Base-Base interactions energy: -1799.957 where: short stacking energy: -764.157 Base-Backbone interact. energy: -0.463 local terms energy: -825.725198 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -157.946 flat angles C4'-P-C4' energy: -173.567 flat angles P-C4'-P energy: -114.346 tors. eta vs tors. theta energy: -232.956 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: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2540.120159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.120159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.120159 (E_RNA) where: Base-Base interactions energy: -1744.038 where: short stacking energy: -735.314 Base-Backbone interact. energy: -1.042 local terms energy: -795.040516 where: bonds (distance) C4'-P energy: -124.875 bonds (distance) P-C4' energy: -156.665 flat angles C4'-P-C4' energy: -164.415 flat angles P-C4'-P energy: -123.339 tors. eta vs tors. theta energy: -225.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2514.061971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.061971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.061971 (E_RNA) where: Base-Base interactions energy: -1751.993 where: short stacking energy: -723.328 Base-Backbone interact. energy: -2.927 local terms energy: -759.141570 where: bonds (distance) C4'-P energy: -150.906 bonds (distance) P-C4' energy: -114.046 flat angles C4'-P-C4' energy: -176.715 flat angles P-C4'-P energy: -96.031 tors. eta vs tors. theta energy: -221.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2235.672946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.672946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.672946 (E_RNA) where: Base-Base interactions energy: -1488.446 where: short stacking energy: -647.682 Base-Backbone interact. energy: 0.971 local terms energy: -748.198638 where: bonds (distance) C4'-P energy: -140.306 bonds (distance) P-C4' energy: -137.318 flat angles C4'-P-C4' energy: -154.077 flat angles P-C4'-P energy: -117.257 tors. eta vs tors. theta energy: -199.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2163.357240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.357240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.357240 (E_RNA) where: Base-Base interactions energy: -1457.784 where: short stacking energy: -644.451 Base-Backbone interact. energy: -1.104 local terms energy: -704.469936 where: bonds (distance) C4'-P energy: -124.059 bonds (distance) P-C4' energy: -132.839 flat angles C4'-P-C4' energy: -160.739 flat angles P-C4'-P energy: -111.445 tors. eta vs tors. theta energy: -175.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1715.586456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.586456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.586456 (E_RNA) where: Base-Base interactions energy: -1100.656 where: short stacking energy: -512.496 Base-Backbone interact. energy: -1.345 local terms energy: -613.585691 where: bonds (distance) C4'-P energy: -136.856 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -145.914 flat angles P-C4'-P energy: -91.653 tors. eta vs tors. theta energy: -113.303 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: 466 Temperature: 1.200000 Total energy: -1770.474721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.474721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.474721 (E_RNA) where: Base-Base interactions energy: -1158.038 where: short stacking energy: -527.665 Base-Backbone interact. energy: -0.451 local terms energy: -611.986093 where: bonds (distance) C4'-P energy: -125.748 bonds (distance) P-C4' energy: -119.062 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -93.257 tors. eta vs tors. theta energy: -148.392 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: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1453.707216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.707216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.707216 (E_RNA) where: Base-Base interactions energy: -874.483 where: short stacking energy: -384.276 Base-Backbone interact. energy: -0.321 local terms energy: -578.903294 where: bonds (distance) C4'-P energy: -124.920 bonds (distance) P-C4' energy: -146.633 flat angles C4'-P-C4' energy: -129.717 flat angles P-C4'-P energy: -83.663 tors. eta vs tors. theta energy: -93.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -758.672487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.672487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.672487 (E_RNA) where: Base-Base interactions energy: -337.815 where: short stacking energy: -201.796 Base-Backbone interact. energy: 3.473 local terms energy: -424.329940 where: bonds (distance) C4'-P energy: -123.748 bonds (distance) P-C4' energy: -118.065 flat angles C4'-P-C4' energy: -132.957 flat angles P-C4'-P energy: -58.378 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: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -558.588366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.588366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.588366 (E_RNA) where: Base-Base interactions energy: -163.382 where: short stacking energy: -140.110 Base-Backbone interact. energy: 3.498 local terms energy: -398.703854 where: bonds (distance) C4'-P energy: -136.781 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: 14.863 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: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2657.801380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.801380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.801380 (E_RNA) where: Base-Base interactions energy: -1841.775 where: short stacking energy: -756.230 Base-Backbone interact. energy: -5.666 local terms energy: -810.360730 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -144.846 flat angles C4'-P-C4' energy: -176.935 flat angles P-C4'-P energy: -123.925 tors. eta vs tors. theta energy: -228.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2598.980953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.980953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.980953 (E_RNA) where: Base-Base interactions energy: -1809.688 where: short stacking energy: -732.031 Base-Backbone interact. energy: -0.524 local terms energy: -788.768986 where: bonds (distance) C4'-P energy: -142.613 bonds (distance) P-C4' energy: -147.008 flat angles C4'-P-C4' energy: -171.518 flat angles P-C4'-P energy: -96.399 tors. eta vs tors. theta energy: -231.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2523.809259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.809259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.809259 (E_RNA) where: Base-Base interactions energy: -1762.672 where: short stacking energy: -731.932 Base-Backbone interact. energy: -2.241 local terms energy: -758.896708 where: bonds (distance) C4'-P energy: -124.012 bonds (distance) P-C4' energy: -134.296 flat angles C4'-P-C4' energy: -167.157 flat angles P-C4'-P energy: -111.297 tors. eta vs tors. theta energy: -222.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2280.218440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.218440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.218440 (E_RNA) where: Base-Base interactions energy: -1506.331 where: short stacking energy: -671.660 Base-Backbone interact. energy: -2.582 local terms energy: -771.304793 where: bonds (distance) C4'-P energy: -145.767 bonds (distance) P-C4' energy: -151.101 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -110.632 tors. eta vs tors. theta energy: -200.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2116.809197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.809197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.809197 (E_RNA) where: Base-Base interactions energy: -1405.595 where: short stacking energy: -634.393 Base-Backbone interact. energy: -4.840 local terms energy: -706.374319 where: bonds (distance) C4'-P energy: -152.267 bonds (distance) P-C4' energy: -131.158 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -101.349 tors. eta vs tors. theta energy: -172.068 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: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1811.931751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.931751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.931751 (E_RNA) where: Base-Base interactions energy: -1166.884 where: short stacking energy: -503.765 Base-Backbone interact. energy: 0.950 local terms energy: -645.997599 where: bonds (distance) C4'-P energy: -140.641 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -135.618 flat angles P-C4'-P energy: -106.945 tors. eta vs tors. theta energy: -121.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1637.362678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.362678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.362678 (E_RNA) where: Base-Base interactions energy: -1056.388 where: short stacking energy: -487.848 Base-Backbone interact. energy: 4.713 local terms energy: -585.687106 where: bonds (distance) C4'-P energy: -115.654 bonds (distance) P-C4' energy: -128.476 flat angles C4'-P-C4' energy: -133.705 flat angles P-C4'-P energy: -89.708 tors. eta vs tors. theta energy: -118.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1382.436783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.436783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.436783 (E_RNA) where: Base-Base interactions energy: -877.071 where: short stacking energy: -392.101 Base-Backbone interact. energy: -1.480 local terms energy: -503.885894 where: bonds (distance) C4'-P energy: -96.820 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -125.727 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -78.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -727.259772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.259772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.259772 (E_RNA) where: Base-Base interactions energy: -321.679 where: short stacking energy: -171.342 Base-Backbone interact. energy: -2.355 local terms energy: -403.225986 where: bonds (distance) C4'-P energy: -127.023 bonds (distance) P-C4' energy: -141.573 flat angles C4'-P-C4' energy: -115.673 flat angles P-C4'-P energy: -72.359 tors. eta vs tors. theta energy: 53.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -548.384804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.384804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.384804 (E_RNA) where: Base-Base interactions energy: -187.614 where: short stacking energy: -143.971 Base-Backbone interact. energy: 2.409 local terms energy: -363.179692 where: bonds (distance) C4'-P energy: -115.062 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -101.417 flat angles P-C4'-P energy: -68.314 tors. eta vs tors. theta energy: 31.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2691.970659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.970659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.970659 (E_RNA) where: Base-Base interactions energy: -1838.494 where: short stacking energy: -762.076 Base-Backbone interact. energy: -0.806 local terms energy: -852.670559 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -156.852 flat angles C4'-P-C4' energy: -181.360 flat angles P-C4'-P energy: -118.032 tors. eta vs tors. theta energy: -238.561 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2604.793222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.793222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.793222 (E_RNA) where: Base-Base interactions energy: -1801.127 where: short stacking energy: -777.408 Base-Backbone interact. energy: 0.419 local terms energy: -804.084953 where: bonds (distance) C4'-P energy: -138.807 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -175.709 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -235.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2524.752227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.752227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.752227 (E_RNA) where: Base-Base interactions energy: -1759.766 where: short stacking energy: -727.222 Base-Backbone interact. energy: -2.209 local terms energy: -762.776790 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -152.987 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -103.273 tors. eta vs tors. theta energy: -216.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2232.123305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.123305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.123305 (E_RNA) where: Base-Base interactions energy: -1518.486 where: short stacking energy: -658.041 Base-Backbone interact. energy: -0.283 local terms energy: -713.354389 where: bonds (distance) C4'-P energy: -124.209 bonds (distance) P-C4' energy: -133.482 flat angles C4'-P-C4' energy: -147.210 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -204.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2136.259205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.259205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.259205 (E_RNA) where: Base-Base interactions energy: -1432.156 where: short stacking energy: -636.535 Base-Backbone interact. energy: -3.953 local terms energy: -700.150342 where: bonds (distance) C4'-P energy: -134.829 bonds (distance) P-C4' energy: -134.911 flat angles C4'-P-C4' energy: -145.850 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -184.150 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: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1788.404625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.404625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.404625 (E_RNA) where: Base-Base interactions energy: -1187.663 where: short stacking energy: -474.707 Base-Backbone interact. energy: -3.630 local terms energy: -597.112104 where: bonds (distance) C4'-P energy: -123.661 bonds (distance) P-C4' energy: -139.284 flat angles C4'-P-C4' energy: -134.758 flat angles P-C4'-P energy: -93.857 tors. eta vs tors. theta energy: -105.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1600.499740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.499740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.499740 (E_RNA) where: Base-Base interactions energy: -1048.227 where: short stacking energy: -471.695 Base-Backbone interact. energy: -1.538 local terms energy: -550.734947 where: bonds (distance) C4'-P energy: -110.854 bonds (distance) P-C4' energy: -114.786 flat angles C4'-P-C4' energy: -123.535 flat angles P-C4'-P energy: -90.826 tors. eta vs tors. theta energy: -110.734 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: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1428.045730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.045730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.045730 (E_RNA) where: Base-Base interactions energy: -902.822 where: short stacking energy: -412.480 Base-Backbone interact. energy: 1.282 local terms energy: -526.504985 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -134.880 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -83.709 tors. eta vs tors. theta energy: -83.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -760.422267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.422267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.422267 (E_RNA) where: Base-Base interactions energy: -348.717 where: short stacking energy: -205.202 Base-Backbone interact. energy: -2.859 local terms energy: -408.845882 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -124.473 flat angles C4'-P-C4' energy: -111.517 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: 22.537 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: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -548.270204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.270204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.270204 (E_RNA) where: Base-Base interactions energy: -179.815 where: short stacking energy: -151.534 Base-Backbone interact. energy: 3.744 local terms energy: -372.199416 where: bonds (distance) C4'-P energy: -96.505 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -61.619 tors. eta vs tors. theta energy: 14.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2678.657511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.657511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.657511 (E_RNA) where: Base-Base interactions energy: -1833.773 where: short stacking energy: -758.784 Base-Backbone interact. energy: -3.291 local terms energy: -841.593804 where: bonds (distance) C4'-P energy: -157.681 bonds (distance) P-C4' energy: -148.580 flat angles C4'-P-C4' energy: -179.082 flat angles P-C4'-P energy: -117.551 tors. eta vs tors. theta energy: -238.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2597.798056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.798056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.798056 (E_RNA) where: Base-Base interactions energy: -1799.258 where: short stacking energy: -751.939 Base-Backbone interact. energy: -4.531 local terms energy: -794.008642 where: bonds (distance) C4'-P energy: -146.207 bonds (distance) P-C4' energy: -135.215 flat angles C4'-P-C4' energy: -165.776 flat angles P-C4'-P energy: -107.891 tors. eta vs tors. theta energy: -238.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2492.143144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.143144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.143144 (E_RNA) where: Base-Base interactions energy: -1734.547 where: short stacking energy: -720.911 Base-Backbone interact. energy: -1.098 local terms energy: -756.498756 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -167.145 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2274.674146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.674146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.674146 (E_RNA) where: Base-Base interactions energy: -1529.816 where: short stacking energy: -651.200 Base-Backbone interact. energy: 0.078 local terms energy: -744.936239 where: bonds (distance) C4'-P energy: -141.618 bonds (distance) P-C4' energy: -138.197 flat angles C4'-P-C4' energy: -165.402 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -206.745 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2128.128876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.128876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.128876 (E_RNA) where: Base-Base interactions energy: -1451.158 where: short stacking energy: -616.250 Base-Backbone interact. energy: -4.989 local terms energy: -671.981435 where: bonds (distance) C4'-P energy: -122.904 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -155.281 flat angles P-C4'-P energy: -94.636 tors. eta vs tors. theta energy: -166.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1752.144453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.144453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.144453 (E_RNA) where: Base-Base interactions energy: -1144.997 where: short stacking energy: -503.366 Base-Backbone interact. energy: -5.586 local terms energy: -601.561092 where: bonds (distance) C4'-P energy: -125.700 bonds (distance) P-C4' energy: -141.286 flat angles C4'-P-C4' energy: -143.057 flat angles P-C4'-P energy: -83.146 tors. eta vs tors. theta energy: -108.372 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: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1668.630351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.630351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.630351 (E_RNA) where: Base-Base interactions energy: -1071.055 where: short stacking energy: -471.946 Base-Backbone interact. energy: 1.105 local terms energy: -598.680217 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -121.534 flat angles C4'-P-C4' energy: -149.973 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -121.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1440.095352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.095352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.095352 (E_RNA) where: Base-Base interactions energy: -879.083 where: short stacking energy: -391.486 Base-Backbone interact. energy: 0.576 local terms energy: -561.588740 where: bonds (distance) C4'-P energy: -118.859 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -147.099 flat angles P-C4'-P energy: -80.261 tors. eta vs tors. theta energy: -87.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -720.299993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.299993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.299993 (E_RNA) where: Base-Base interactions energy: -334.591 where: short stacking energy: -206.346 Base-Backbone interact. energy: 8.390 local terms energy: -394.099308 where: bonds (distance) C4'-P energy: -115.116 bonds (distance) P-C4' energy: -119.731 flat angles C4'-P-C4' energy: -99.635 flat angles P-C4'-P energy: -62.892 tors. eta vs tors. theta energy: 3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -591.531635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.531635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.531635 (E_RNA) where: Base-Base interactions energy: -195.258 where: short stacking energy: -142.275 Base-Backbone interact. energy: 5.682 local terms energy: -401.955274 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -132.934 flat angles C4'-P-C4' energy: -98.434 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: 9.497 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2657.486636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.486636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.486636 (E_RNA) where: Base-Base interactions energy: -1816.357 where: short stacking energy: -762.971 Base-Backbone interact. energy: -4.445 local terms energy: -836.684873 where: bonds (distance) C4'-P energy: -153.007 bonds (distance) P-C4' energy: -159.180 flat angles C4'-P-C4' energy: -170.704 flat angles P-C4'-P energy: -113.981 tors. eta vs tors. theta energy: -239.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2639.722787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.722787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.722787 (E_RNA) where: Base-Base interactions energy: -1830.184 where: short stacking energy: -760.956 Base-Backbone interact. energy: -3.864 local terms energy: -805.674786 where: bonds (distance) C4'-P energy: -143.575 bonds (distance) P-C4' energy: -157.637 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -106.216 tors. eta vs tors. theta energy: -224.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2494.784862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.784862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.784862 (E_RNA) where: Base-Base interactions energy: -1741.633 where: short stacking energy: -713.276 Base-Backbone interact. energy: -1.456 local terms energy: -751.695102 where: bonds (distance) C4'-P energy: -136.350 bonds (distance) P-C4' energy: -131.722 flat angles C4'-P-C4' energy: -165.320 flat angles P-C4'-P energy: -101.681 tors. eta vs tors. theta energy: -216.622 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: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2255.163242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.163242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.163242 (E_RNA) where: Base-Base interactions energy: -1494.884 where: short stacking energy: -659.668 Base-Backbone interact. energy: -0.737 local terms energy: -759.542393 where: bonds (distance) C4'-P energy: -150.195 bonds (distance) P-C4' energy: -143.458 flat angles C4'-P-C4' energy: -160.572 flat angles P-C4'-P energy: -106.217 tors. eta vs tors. theta energy: -199.100 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: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2125.448651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.448651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.448651 (E_RNA) where: Base-Base interactions energy: -1393.548 where: short stacking energy: -617.161 Base-Backbone interact. energy: -4.036 local terms energy: -727.865086 where: bonds (distance) C4'-P energy: -142.384 bonds (distance) P-C4' energy: -138.269 flat angles C4'-P-C4' energy: -145.058 flat angles P-C4'-P energy: -112.207 tors. eta vs tors. theta energy: -189.947 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: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1776.848540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.848540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.848540 (E_RNA) where: Base-Base interactions energy: -1136.541 where: short stacking energy: -496.480 Base-Backbone interact. energy: 5.430 local terms energy: -645.738128 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -123.863 flat angles C4'-P-C4' energy: -137.134 flat angles P-C4'-P energy: -94.975 tors. eta vs tors. theta energy: -144.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1679.994546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.994546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.994546 (E_RNA) where: Base-Base interactions energy: -1063.614 where: short stacking energy: -468.163 Base-Backbone interact. energy: -0.828 local terms energy: -615.553321 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -146.505 flat angles C4'-P-C4' energy: -129.722 flat angles P-C4'-P energy: -87.050 tors. eta vs tors. theta energy: -125.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1470.344375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.344375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.344375 (E_RNA) where: Base-Base interactions energy: -925.147 where: short stacking energy: -391.580 Base-Backbone interact. energy: 0.622 local terms energy: -545.819224 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -122.494 flat angles C4'-P-C4' energy: -128.708 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: -87.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -720.658591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.658591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.658591 (E_RNA) where: Base-Base interactions energy: -344.414 where: short stacking energy: -223.702 Base-Backbone interact. energy: 0.625 local terms energy: -376.870299 where: bonds (distance) C4'-P energy: -110.156 bonds (distance) P-C4' energy: -131.645 flat angles C4'-P-C4' energy: -88.587 flat angles P-C4'-P energy: -57.990 tors. eta vs tors. theta energy: 11.508 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: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -557.673423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.673423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.673423 (E_RNA) where: Base-Base interactions energy: -208.495 where: short stacking energy: -156.074 Base-Backbone interact. energy: 0.130 local terms energy: -349.308663 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -128.350 flat angles C4'-P-C4' energy: -100.117 flat angles P-C4'-P energy: -51.356 tors. eta vs tors. theta energy: 27.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2657.667380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.667380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.667380 (E_RNA) where: Base-Base interactions energy: -1834.851 where: short stacking energy: -753.574 Base-Backbone interact. energy: -2.854 local terms energy: -819.962231 where: bonds (distance) C4'-P energy: -146.487 bonds (distance) P-C4' energy: -152.278 flat angles C4'-P-C4' energy: -175.171 flat angles P-C4'-P energy: -111.823 tors. eta vs tors. theta energy: -234.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2587.815907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.815907 (E_RNA) where: Base-Base interactions energy: -1791.633 where: short stacking energy: -756.061 Base-Backbone interact. energy: -0.258 local terms energy: -795.924659 where: bonds (distance) C4'-P energy: -150.751 bonds (distance) P-C4' energy: -149.217 flat angles C4'-P-C4' energy: -168.909 flat angles P-C4'-P energy: -95.969 tors. eta vs tors. theta energy: -231.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2488.873472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.873472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.873472 (E_RNA) where: Base-Base interactions energy: -1742.800 where: short stacking energy: -714.400 Base-Backbone interact. energy: -2.389 local terms energy: -743.684941 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -147.293 flat angles C4'-P-C4' energy: -163.100 flat angles P-C4'-P energy: -104.188 tors. eta vs tors. theta energy: -208.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2246.379893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.379893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.379893 (E_RNA) where: Base-Base interactions energy: -1538.014 where: short stacking energy: -664.233 Base-Backbone interact. energy: 0.795 local terms energy: -709.161735 where: bonds (distance) C4'-P energy: -141.465 bonds (distance) P-C4' energy: -132.007 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -201.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2130.110746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.110746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.110746 (E_RNA) where: Base-Base interactions energy: -1427.185 where: short stacking energy: -610.819 Base-Backbone interact. energy: -4.437 local terms energy: -698.488650 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -144.404 flat angles C4'-P-C4' energy: -141.760 flat angles P-C4'-P energy: -108.750 tors. eta vs tors. theta energy: -185.598 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1806.353312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.353312 (E_RNA) where: Base-Base interactions energy: -1196.184 where: short stacking energy: -506.370 Base-Backbone interact. energy: 2.095 local terms energy: -612.264230 where: bonds (distance) C4'-P energy: -112.253 bonds (distance) P-C4' energy: -155.609 flat angles C4'-P-C4' energy: -138.596 flat angles P-C4'-P energy: -79.669 tors. eta vs tors. theta energy: -126.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1766.729533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.729533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.729533 (E_RNA) where: Base-Base interactions energy: -1156.686 where: short stacking energy: -503.260 Base-Backbone interact. energy: -1.419 local terms energy: -608.624158 where: bonds (distance) C4'-P energy: -128.933 bonds (distance) P-C4' energy: -131.172 flat angles C4'-P-C4' energy: -139.248 flat angles P-C4'-P energy: -88.201 tors. eta vs tors. theta energy: -121.070 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: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1454.541996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.541996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.541996 (E_RNA) where: Base-Base interactions energy: -908.716 where: short stacking energy: -417.487 Base-Backbone interact. energy: -2.583 local terms energy: -543.243081 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -129.821 flat angles C4'-P-C4' energy: -128.338 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -76.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -710.226201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.226201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.226201 (E_RNA) where: Base-Base interactions energy: -306.339 where: short stacking energy: -196.498 Base-Backbone interact. energy: -3.696 local terms energy: -400.190815 where: bonds (distance) C4'-P energy: -126.936 bonds (distance) P-C4' energy: -142.623 flat angles C4'-P-C4' energy: -103.716 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: 27.809 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: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -530.432346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.432346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.432346 (E_RNA) where: Base-Base interactions energy: -157.890 where: short stacking energy: -132.005 Base-Backbone interact. energy: -0.310 local terms energy: -372.232215 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -120.525 flat angles C4'-P-C4' energy: -89.797 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: 46.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2651.871146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.871146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.871146 (E_RNA) where: Base-Base interactions energy: -1831.914 where: short stacking energy: -781.870 Base-Backbone interact. energy: -1.146 local terms energy: -818.811483 where: bonds (distance) C4'-P energy: -159.120 bonds (distance) P-C4' energy: -136.199 flat angles C4'-P-C4' energy: -167.275 flat angles P-C4'-P energy: -115.195 tors. eta vs tors. theta energy: -241.022 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: 472 Temperature: 0.950000 Total energy: -2608.362336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.362336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.362336 (E_RNA) where: Base-Base interactions energy: -1818.306 where: short stacking energy: -761.678 Base-Backbone interact. energy: -1.975 local terms energy: -788.081272 where: bonds (distance) C4'-P energy: -133.793 bonds (distance) P-C4' energy: -161.025 flat angles C4'-P-C4' energy: -156.296 flat angles P-C4'-P energy: -110.678 tors. eta vs tors. theta energy: -226.290 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2510.216650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.216650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.216650 (E_RNA) where: Base-Base interactions energy: -1710.274 where: short stacking energy: -716.278 Base-Backbone interact. energy: -0.058 local terms energy: -799.884777 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -146.290 flat angles C4'-P-C4' energy: -173.627 flat angles P-C4'-P energy: -109.792 tors. eta vs tors. theta energy: -218.617 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: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2223.732708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.732708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.732708 (E_RNA) where: Base-Base interactions energy: -1521.200 where: short stacking energy: -633.107 Base-Backbone interact. energy: -2.590 local terms energy: -699.942083 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -148.162 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -88.158 tors. eta vs tors. theta energy: -170.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2154.736065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.736065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.736065 (E_RNA) where: Base-Base interactions energy: -1437.013 where: short stacking energy: -620.603 Base-Backbone interact. energy: -2.698 local terms energy: -715.025310 where: bonds (distance) C4'-P energy: -139.058 bonds (distance) P-C4' energy: -122.615 flat angles C4'-P-C4' energy: -161.721 flat angles P-C4'-P energy: -100.782 tors. eta vs tors. theta energy: -190.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1855.050577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.050577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.050577 (E_RNA) where: Base-Base interactions energy: -1259.161 where: short stacking energy: -514.304 Base-Backbone interact. energy: 6.379 local terms energy: -602.268898 where: bonds (distance) C4'-P energy: -123.898 bonds (distance) P-C4' energy: -135.240 flat angles C4'-P-C4' energy: -134.513 flat angles P-C4'-P energy: -85.887 tors. eta vs tors. theta energy: -122.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1724.031839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.031839 (E_RNA) where: Base-Base interactions energy: -1115.599 where: short stacking energy: -489.799 Base-Backbone interact. energy: -5.090 local terms energy: -603.342511 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -120.237 flat angles C4'-P-C4' energy: -129.105 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -123.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1374.362377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.362377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.362377 (E_RNA) where: Base-Base interactions energy: -866.740 where: short stacking energy: -379.576 Base-Backbone interact. energy: -4.469 local terms energy: -503.153414 where: bonds (distance) C4'-P energy: -118.694 bonds (distance) P-C4' energy: -110.115 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -71.822 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: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -682.159688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.159688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.159688 (E_RNA) where: Base-Base interactions energy: -293.880 where: short stacking energy: -188.845 Base-Backbone interact. energy: 4.991 local terms energy: -393.270357 where: bonds (distance) C4'-P energy: -114.680 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -106.649 flat angles P-C4'-P energy: -72.896 tors. eta vs tors. theta energy: 22.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -542.949450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.949450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.949450 (E_RNA) where: Base-Base interactions energy: -173.270 where: short stacking energy: -134.057 Base-Backbone interact. energy: 4.258 local terms energy: -373.937379 where: bonds (distance) C4'-P energy: -108.302 bonds (distance) P-C4' energy: -107.365 flat angles C4'-P-C4' energy: -116.347 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: 36.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2629.967261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.967261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.967261 (E_RNA) where: Base-Base interactions energy: -1797.357 where: short stacking energy: -760.953 Base-Backbone interact. energy: -2.984 local terms energy: -829.626655 where: bonds (distance) C4'-P energy: -156.532 bonds (distance) P-C4' energy: -138.727 flat angles C4'-P-C4' energy: -179.783 flat angles P-C4'-P energy: -123.320 tors. eta vs tors. theta energy: -231.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2624.867680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.867680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.867680 (E_RNA) where: Base-Base interactions energy: -1820.512 where: short stacking energy: -732.227 Base-Backbone interact. energy: 0.516 local terms energy: -804.871736 where: bonds (distance) C4'-P energy: -141.798 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -174.683 flat angles P-C4'-P energy: -110.319 tors. eta vs tors. theta energy: -225.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2515.943503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.943503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.943503 (E_RNA) where: Base-Base interactions energy: -1730.682 where: short stacking energy: -697.537 Base-Backbone interact. energy: -2.984 local terms energy: -782.277845 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -156.767 flat angles C4'-P-C4' energy: -164.740 flat angles P-C4'-P energy: -110.294 tors. eta vs tors. theta energy: -217.239 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: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2248.559226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.559226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.559226 (E_RNA) where: Base-Base interactions energy: -1522.317 where: short stacking energy: -672.266 Base-Backbone interact. energy: 0.607 local terms energy: -726.849869 where: bonds (distance) C4'-P energy: -156.832 bonds (distance) P-C4' energy: -127.362 flat angles C4'-P-C4' energy: -152.901 flat angles P-C4'-P energy: -99.655 tors. eta vs tors. theta energy: -190.101 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: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2049.528322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.528322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.528322 (E_RNA) where: Base-Base interactions energy: -1375.432 where: short stacking energy: -587.163 Base-Backbone interact. energy: 0.841 local terms energy: -674.936929 where: bonds (distance) C4'-P energy: -123.093 bonds (distance) P-C4' energy: -158.215 flat angles C4'-P-C4' energy: -145.845 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -155.041 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: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1815.954417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.954417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.954417 (E_RNA) where: Base-Base interactions energy: -1189.019 where: short stacking energy: -487.213 Base-Backbone interact. energy: -3.734 local terms energy: -623.201356 where: bonds (distance) C4'-P energy: -112.493 bonds (distance) P-C4' energy: -126.759 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -99.017 tors. eta vs tors. theta energy: -132.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1839.411767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.411767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.411767 (E_RNA) where: Base-Base interactions energy: -1228.009 where: short stacking energy: -522.580 Base-Backbone interact. energy: 2.802 local terms energy: -614.204620 where: bonds (distance) C4'-P energy: -126.020 bonds (distance) P-C4' energy: -144.192 flat angles C4'-P-C4' energy: -135.217 flat angles P-C4'-P energy: -83.162 tors. eta vs tors. theta energy: -125.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1413.066565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.066565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.066565 (E_RNA) where: Base-Base interactions energy: -877.221 where: short stacking energy: -384.043 Base-Backbone interact. energy: -3.212 local terms energy: -532.633282 where: bonds (distance) C4'-P energy: -129.006 bonds (distance) P-C4' energy: -133.683 flat angles C4'-P-C4' energy: -130.036 flat angles P-C4'-P energy: -70.573 tors. eta vs tors. theta energy: -69.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -665.757685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.757685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.757685 (E_RNA) where: Base-Base interactions energy: -290.004 where: short stacking energy: -180.804 Base-Backbone interact. energy: 3.193 local terms energy: -378.946613 where: bonds (distance) C4'-P energy: -112.454 bonds (distance) P-C4' energy: -128.251 flat angles C4'-P-C4' energy: -104.822 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: 18.799 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: 473 Temperature: 1.350000 Total energy: -576.645775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.645775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.645775 (E_RNA) where: Base-Base interactions energy: -197.286 where: short stacking energy: -169.744 Base-Backbone interact. energy: 1.272 local terms energy: -380.632217 where: bonds (distance) C4'-P energy: -111.075 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -124.094 flat angles P-C4'-P energy: -68.836 tors. eta vs tors. theta energy: 33.900 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: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2691.133549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.133549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.133549 (E_RNA) where: Base-Base interactions energy: -1855.204 where: short stacking energy: -762.548 Base-Backbone interact. energy: -4.154 local terms energy: -831.775939 where: bonds (distance) C4'-P energy: -159.371 bonds (distance) P-C4' energy: -152.417 flat angles C4'-P-C4' energy: -171.531 flat angles P-C4'-P energy: -116.796 tors. eta vs tors. theta energy: -231.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2550.738667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.738667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.738667 (E_RNA) where: Base-Base interactions energy: -1782.909 where: short stacking energy: -734.991 Base-Backbone interact. energy: 1.654 local terms energy: -769.483222 where: bonds (distance) C4'-P energy: -138.933 bonds (distance) P-C4' energy: -149.758 flat angles C4'-P-C4' energy: -156.930 flat angles P-C4'-P energy: -100.084 tors. eta vs tors. theta energy: -223.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2505.845588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.845588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.845588 (E_RNA) where: Base-Base interactions energy: -1743.584 where: short stacking energy: -732.498 Base-Backbone interact. energy: -2.760 local terms energy: -759.501609 where: bonds (distance) C4'-P energy: -130.447 bonds (distance) P-C4' energy: -151.764 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -210.186 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2257.001940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.001940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.001940 (E_RNA) where: Base-Base interactions energy: -1523.202 where: short stacking energy: -655.237 Base-Backbone interact. energy: 1.458 local terms energy: -735.257057 where: bonds (distance) C4'-P energy: -141.751 bonds (distance) P-C4' energy: -128.563 flat angles C4'-P-C4' energy: -163.793 flat angles P-C4'-P energy: -108.429 tors. eta vs tors. theta energy: -192.721 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: 474 Temperature: 1.100000 Total energy: -2150.525411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.525411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.525411 (E_RNA) where: Base-Base interactions energy: -1465.908 where: short stacking energy: -627.922 Base-Backbone interact. energy: 0.248 local terms energy: -684.865391 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -134.491 flat angles C4'-P-C4' energy: -153.324 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -176.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1872.545605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.545605 (E_RNA) where: Base-Base interactions energy: -1263.854 where: short stacking energy: -519.137 Base-Backbone interact. energy: -4.489 local terms energy: -604.202677 where: bonds (distance) C4'-P energy: -112.979 bonds (distance) P-C4' energy: -135.840 flat angles C4'-P-C4' energy: -149.052 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -116.717 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: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1758.384760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.384760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.384760 (E_RNA) where: Base-Base interactions energy: -1150.078 where: short stacking energy: -511.206 Base-Backbone interact. energy: 10.542 local terms energy: -618.848795 where: bonds (distance) C4'-P energy: -127.138 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -144.752 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -131.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1424.638633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.638633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.638633 (E_RNA) where: Base-Base interactions energy: -895.089 where: short stacking energy: -371.268 Base-Backbone interact. energy: -2.948 local terms energy: -526.601237 where: bonds (distance) C4'-P energy: -117.084 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -129.678 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -86.441 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: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -595.629003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.629003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.629003 (E_RNA) where: Base-Base interactions energy: -226.328 where: short stacking energy: -147.523 Base-Backbone interact. energy: 0.596 local terms energy: -369.897402 where: bonds (distance) C4'-P energy: -133.748 bonds (distance) P-C4' energy: -128.412 flat angles C4'-P-C4' energy: -92.919 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: 50.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -624.907385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.907385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.907385 (E_RNA) where: Base-Base interactions energy: -250.761 where: short stacking energy: -147.017 Base-Backbone interact. energy: 8.947 local terms energy: -383.093544 where: bonds (distance) C4'-P energy: -122.218 bonds (distance) P-C4' energy: -121.946 flat angles C4'-P-C4' energy: -106.805 flat angles P-C4'-P energy: -56.047 tors. eta vs tors. theta energy: 23.922 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: 475 Temperature: 0.900000 Total energy: -2685.604081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.604081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.604081 (E_RNA) where: Base-Base interactions energy: -1853.139 where: short stacking energy: -772.708 Base-Backbone interact. energy: -6.146 local terms energy: -826.319150 where: bonds (distance) C4'-P energy: -143.703 bonds (distance) P-C4' energy: -146.638 flat angles C4'-P-C4' energy: -176.867 flat angles P-C4'-P energy: -121.839 tors. eta vs tors. theta energy: -237.272 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: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2580.489479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.489479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.489479 (E_RNA) where: Base-Base interactions energy: -1759.018 where: short stacking energy: -760.096 Base-Backbone interact. energy: 0.572 local terms energy: -822.043225 where: bonds (distance) C4'-P energy: -167.596 bonds (distance) P-C4' energy: -139.152 flat angles C4'-P-C4' energy: -165.633 flat angles P-C4'-P energy: -114.373 tors. eta vs tors. theta energy: -235.289 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: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2496.921835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.921835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.921835 (E_RNA) where: Base-Base interactions energy: -1753.750 where: short stacking energy: -713.817 Base-Backbone interact. energy: 1.288 local terms energy: -744.460090 where: bonds (distance) C4'-P energy: -139.908 bonds (distance) P-C4' energy: -136.856 flat angles C4'-P-C4' energy: -158.712 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -207.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2196.697024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.697024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.697024 (E_RNA) where: Base-Base interactions energy: -1489.418 where: short stacking energy: -626.284 Base-Backbone interact. energy: -2.725 local terms energy: -704.553442 where: bonds (distance) C4'-P energy: -140.481 bonds (distance) P-C4' energy: -141.112 flat angles C4'-P-C4' energy: -147.912 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -176.928 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: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2132.248341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.248341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.248341 (E_RNA) where: Base-Base interactions energy: -1417.274 where: short stacking energy: -612.166 Base-Backbone interact. energy: -3.167 local terms energy: -711.807189 where: bonds (distance) C4'-P energy: -141.182 bonds (distance) P-C4' energy: -139.371 flat angles C4'-P-C4' energy: -148.135 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -175.860 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: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1838.672792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.672792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.672792 (E_RNA) where: Base-Base interactions energy: -1231.149 where: short stacking energy: -505.222 Base-Backbone interact. energy: -2.470 local terms energy: -605.053970 where: bonds (distance) C4'-P energy: -137.926 bonds (distance) P-C4' energy: -127.505 flat angles C4'-P-C4' energy: -152.284 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: -103.456 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: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1692.405698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.405698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.405698 (E_RNA) where: Base-Base interactions energy: -1107.414 where: short stacking energy: -514.978 Base-Backbone interact. energy: 0.839 local terms energy: -585.830790 where: bonds (distance) C4'-P energy: -124.708 bonds (distance) P-C4' energy: -105.406 flat angles C4'-P-C4' energy: -142.784 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -127.189 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: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1364.892052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.892052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.892052 (E_RNA) where: Base-Base interactions energy: -837.789 where: short stacking energy: -389.470 Base-Backbone interact. energy: -4.496 local terms energy: -522.607231 where: bonds (distance) C4'-P energy: -108.125 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -125.747 flat angles P-C4'-P energy: -91.777 tors. eta vs tors. theta energy: -82.775 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -609.297285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.297285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.297285 (E_RNA) where: Base-Base interactions energy: -200.256 where: short stacking energy: -163.934 Base-Backbone interact. energy: -1.730 local terms energy: -407.310679 where: bonds (distance) C4'-P energy: -132.454 bonds (distance) P-C4' energy: -125.566 flat angles C4'-P-C4' energy: -103.129 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: 14.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -602.738788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.738788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.738788 (E_RNA) where: Base-Base interactions energy: -251.550 where: short stacking energy: -158.448 Base-Backbone interact. energy: 2.090 local terms energy: -353.278124 where: bonds (distance) C4'-P energy: -111.326 bonds (distance) P-C4' energy: -112.144 flat angles C4'-P-C4' energy: -90.294 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: 30.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2653.088631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.088631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.088631 (E_RNA) where: Base-Base interactions energy: -1815.056 where: short stacking energy: -755.474 Base-Backbone interact. energy: -1.965 local terms energy: -836.068232 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -174.397 flat angles P-C4'-P energy: -121.995 tors. eta vs tors. theta energy: -240.545 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: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2617.645714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.645714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.645714 (E_RNA) where: Base-Base interactions energy: -1813.996 where: short stacking energy: -759.381 Base-Backbone interact. energy: -0.068 local terms energy: -803.582144 where: bonds (distance) C4'-P energy: -136.901 bonds (distance) P-C4' energy: -142.599 flat angles C4'-P-C4' energy: -172.272 flat angles P-C4'-P energy: -116.663 tors. eta vs tors. theta energy: -235.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2458.475442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.475442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.475442 (E_RNA) where: Base-Base interactions energy: -1704.325 where: short stacking energy: -692.549 Base-Backbone interact. energy: -2.660 local terms energy: -751.490903 where: bonds (distance) C4'-P energy: -132.327 bonds (distance) P-C4' energy: -133.735 flat angles C4'-P-C4' energy: -167.468 flat angles P-C4'-P energy: -107.266 tors. eta vs tors. theta energy: -210.694 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: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2228.727426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.727426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.727426 (E_RNA) where: Base-Base interactions energy: -1544.432 where: short stacking energy: -643.067 Base-Backbone interact. energy: -2.245 local terms energy: -682.050347 where: bonds (distance) C4'-P energy: -126.784 bonds (distance) P-C4' energy: -144.614 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -101.322 tors. eta vs tors. theta energy: -173.604 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: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2173.923713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.923713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.923713 (E_RNA) where: Base-Base interactions energy: -1449.570 where: short stacking energy: -624.049 Base-Backbone interact. energy: -1.225 local terms energy: -723.128309 where: bonds (distance) C4'-P energy: -132.442 bonds (distance) P-C4' energy: -146.968 flat angles C4'-P-C4' energy: -148.555 flat angles P-C4'-P energy: -103.480 tors. eta vs tors. theta energy: -191.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1757.281793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.281793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.281793 (E_RNA) where: Base-Base interactions energy: -1154.651 where: short stacking energy: -487.276 Base-Backbone interact. energy: 3.413 local terms energy: -606.043908 where: bonds (distance) C4'-P energy: -121.801 bonds (distance) P-C4' energy: -120.060 flat angles C4'-P-C4' energy: -151.369 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -110.957 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: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1652.671738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.671738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.671738 (E_RNA) where: Base-Base interactions energy: -1074.523 where: short stacking energy: -470.755 Base-Backbone interact. energy: 0.640 local terms energy: -578.788240 where: bonds (distance) C4'-P energy: -125.995 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -141.617 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -117.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1344.046741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.046741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.046741 (E_RNA) where: Base-Base interactions energy: -792.063 where: short stacking energy: -376.460 Base-Backbone interact. energy: -0.304 local terms energy: -551.680295 where: bonds (distance) C4'-P energy: -127.758 bonds (distance) P-C4' energy: -146.270 flat angles C4'-P-C4' energy: -118.915 flat angles P-C4'-P energy: -78.329 tors. eta vs tors. theta energy: -80.407 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: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -646.002987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.002987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.002987 (E_RNA) where: Base-Base interactions energy: -269.672 where: short stacking energy: -184.425 Base-Backbone interact. energy: -0.437 local terms energy: -375.894054 where: bonds (distance) C4'-P energy: -108.581 bonds (distance) P-C4' energy: -129.911 flat angles C4'-P-C4' energy: -113.337 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: 29.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -578.867673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.867673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.867673 (E_RNA) where: Base-Base interactions energy: -209.432 where: short stacking energy: -170.609 Base-Backbone interact. energy: -1.684 local terms energy: -367.751867 where: bonds (distance) C4'-P energy: -121.883 bonds (distance) P-C4' energy: -136.471 flat angles C4'-P-C4' energy: -74.549 flat angles P-C4'-P energy: -45.212 tors. eta vs tors. theta energy: 10.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2665.954903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.954903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.954903 (E_RNA) where: Base-Base interactions energy: -1867.392 where: short stacking energy: -759.733 Base-Backbone interact. energy: 0.397 local terms energy: -798.959898 where: bonds (distance) C4'-P energy: -144.096 bonds (distance) P-C4' energy: -142.495 flat angles C4'-P-C4' energy: -174.482 flat angles P-C4'-P energy: -114.969 tors. eta vs tors. theta energy: -222.919 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: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2601.334613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.334613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.334613 (E_RNA) where: Base-Base interactions energy: -1786.599 where: short stacking energy: -746.477 Base-Backbone interact. energy: -5.031 local terms energy: -809.704135 where: bonds (distance) C4'-P energy: -154.217 bonds (distance) P-C4' energy: -139.999 flat angles C4'-P-C4' energy: -174.452 flat angles P-C4'-P energy: -122.891 tors. eta vs tors. theta energy: -218.145 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: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2463.834882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.834882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.834882 (E_RNA) where: Base-Base interactions energy: -1690.858 where: short stacking energy: -710.719 Base-Backbone interact. energy: -6.275 local terms energy: -766.701893 where: bonds (distance) C4'-P energy: -135.227 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -160.802 flat angles P-C4'-P energy: -110.724 tors. eta vs tors. theta energy: -214.080 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: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2256.285833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.285833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.285833 (E_RNA) where: Base-Base interactions energy: -1514.394 where: short stacking energy: -644.716 Base-Backbone interact. energy: -3.014 local terms energy: -738.877336 where: bonds (distance) C4'-P energy: -136.430 bonds (distance) P-C4' energy: -136.083 flat angles C4'-P-C4' energy: -171.486 flat angles P-C4'-P energy: -105.935 tors. eta vs tors. theta energy: -188.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2171.770904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.770904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.770904 (E_RNA) where: Base-Base interactions energy: -1482.053 where: short stacking energy: -621.471 Base-Backbone interact. energy: -0.686 local terms energy: -689.032350 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -138.980 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -181.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1793.379759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.379759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.379759 (E_RNA) where: Base-Base interactions energy: -1161.175 where: short stacking energy: -508.361 Base-Backbone interact. energy: 0.997 local terms energy: -633.201135 where: bonds (distance) C4'-P energy: -130.975 bonds (distance) P-C4' energy: -128.610 flat angles C4'-P-C4' energy: -155.929 flat angles P-C4'-P energy: -93.161 tors. eta vs tors. theta energy: -124.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1682.216466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.216466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.216466 (E_RNA) where: Base-Base interactions energy: -1092.122 where: short stacking energy: -454.283 Base-Backbone interact. energy: 5.843 local terms energy: -595.937742 where: bonds (distance) C4'-P energy: -139.176 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -71.668 tors. eta vs tors. theta energy: -114.292 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: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1388.869109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.869109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.869109 (E_RNA) where: Base-Base interactions energy: -871.619 where: short stacking energy: -389.514 Base-Backbone interact. energy: 1.363 local terms energy: -518.612841 where: bonds (distance) C4'-P energy: -119.838 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -123.315 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -57.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -709.232294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.232294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.232294 (E_RNA) where: Base-Base interactions energy: -318.082 where: short stacking energy: -200.855 Base-Backbone interact. energy: 0.153 local terms energy: -391.303488 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -133.527 flat angles C4'-P-C4' energy: -86.379 flat angles P-C4'-P energy: -69.499 tors. eta vs tors. theta energy: 23.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -549.255536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.255536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.255536 (E_RNA) where: Base-Base interactions energy: -204.634 where: short stacking energy: -170.454 Base-Backbone interact. energy: 3.199 local terms energy: -347.820715 where: bonds (distance) C4'-P energy: -116.185 bonds (distance) P-C4' energy: -105.854 flat angles C4'-P-C4' energy: -94.404 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: 41.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2626.490162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.490162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.490162 (E_RNA) where: Base-Base interactions energy: -1824.393 where: short stacking energy: -733.280 Base-Backbone interact. energy: -2.038 local terms energy: -800.059403 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -160.359 flat angles C4'-P-C4' energy: -166.184 flat angles P-C4'-P energy: -105.960 tors. eta vs tors. theta energy: -224.261 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: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2588.957896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.957896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.957896 (E_RNA) where: Base-Base interactions energy: -1795.331 where: short stacking energy: -753.926 Base-Backbone interact. energy: -4.699 local terms energy: -788.927431 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -157.532 flat angles C4'-P-C4' energy: -167.347 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -223.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2459.871750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.871750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.871750 (E_RNA) where: Base-Base interactions energy: -1700.747 where: short stacking energy: -717.636 Base-Backbone interact. energy: -3.225 local terms energy: -755.900354 where: bonds (distance) C4'-P energy: -138.637 bonds (distance) P-C4' energy: -149.656 flat angles C4'-P-C4' energy: -151.596 flat angles P-C4'-P energy: -94.521 tors. eta vs tors. theta energy: -221.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2251.913834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.913834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.913834 (E_RNA) where: Base-Base interactions energy: -1507.729 where: short stacking energy: -628.478 Base-Backbone interact. energy: -2.890 local terms energy: -741.294519 where: bonds (distance) C4'-P energy: -129.532 bonds (distance) P-C4' energy: -161.431 flat angles C4'-P-C4' energy: -158.785 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -181.894 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2235.342850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.342850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.342850 (E_RNA) where: Base-Base interactions energy: -1519.568 where: short stacking energy: -678.922 Base-Backbone interact. energy: -0.179 local terms energy: -715.596090 where: bonds (distance) C4'-P energy: -134.040 bonds (distance) P-C4' energy: -136.852 flat angles C4'-P-C4' energy: -146.829 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -201.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1806.029882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.029882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.029882 (E_RNA) where: Base-Base interactions energy: -1158.350 where: short stacking energy: -510.356 Base-Backbone interact. energy: 1.838 local terms energy: -649.517259 where: bonds (distance) C4'-P energy: -128.218 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -147.847 flat angles P-C4'-P energy: -94.123 tors. eta vs tors. theta energy: -130.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1695.630710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.630710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.630710 (E_RNA) where: Base-Base interactions energy: -1140.740 where: short stacking energy: -489.941 Base-Backbone interact. energy: 0.639 local terms energy: -555.529512 where: bonds (distance) C4'-P energy: -129.301 bonds (distance) P-C4' energy: -122.886 flat angles C4'-P-C4' energy: -122.874 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -100.751 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: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1244.657684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.657684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.657684 (E_RNA) where: Base-Base interactions energy: -740.821 where: short stacking energy: -358.673 Base-Backbone interact. energy: -1.408 local terms energy: -502.428820 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -141.672 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: -47.771 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: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -696.227489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.227489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.227489 (E_RNA) where: Base-Base interactions energy: -301.735 where: short stacking energy: -176.417 Base-Backbone interact. energy: -1.898 local terms energy: -392.594108 where: bonds (distance) C4'-P energy: -105.849 bonds (distance) P-C4' energy: -137.335 flat angles C4'-P-C4' energy: -107.093 flat angles P-C4'-P energy: -69.896 tors. eta vs tors. theta energy: 27.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -603.124504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.124504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.124504 (E_RNA) where: Base-Base interactions energy: -225.842 where: short stacking energy: -156.189 Base-Backbone interact. energy: 0.705 local terms energy: -377.988163 where: bonds (distance) C4'-P energy: -117.909 bonds (distance) P-C4' energy: -112.691 flat angles C4'-P-C4' energy: -103.272 flat angles P-C4'-P energy: -67.184 tors. eta vs tors. theta energy: 23.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2651.613523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.613523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.613523 (E_RNA) where: Base-Base interactions energy: -1821.621 where: short stacking energy: -743.311 Base-Backbone interact. energy: -1.957 local terms energy: -828.034894 where: bonds (distance) C4'-P energy: -139.093 bonds (distance) P-C4' energy: -157.343 flat angles C4'-P-C4' energy: -173.536 flat angles P-C4'-P energy: -128.080 tors. eta vs tors. theta energy: -229.983 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: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2567.809188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.809188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.809188 (E_RNA) where: Base-Base interactions energy: -1754.565 where: short stacking energy: -751.103 Base-Backbone interact. energy: -2.830 local terms energy: -810.414531 where: bonds (distance) C4'-P energy: -150.310 bonds (distance) P-C4' energy: -150.264 flat angles C4'-P-C4' energy: -157.445 flat angles P-C4'-P energy: -114.301 tors. eta vs tors. theta energy: -238.095 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: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2495.501022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.501022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.501022 (E_RNA) where: Base-Base interactions energy: -1703.536 where: short stacking energy: -717.730 Base-Backbone interact. energy: -4.248 local terms energy: -787.716519 where: bonds (distance) C4'-P energy: -138.743 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -164.730 flat angles P-C4'-P energy: -111.489 tors. eta vs tors. theta energy: -231.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2230.662316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.662316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.662316 (E_RNA) where: Base-Base interactions energy: -1502.034 where: short stacking energy: -668.293 Base-Backbone interact. energy: -2.664 local terms energy: -725.963845 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -135.468 flat angles C4'-P-C4' energy: -160.074 flat angles P-C4'-P energy: -90.059 tors. eta vs tors. theta energy: -193.656 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2146.248408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.248408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.248408 (E_RNA) where: Base-Base interactions energy: -1462.470 where: short stacking energy: -621.078 Base-Backbone interact. energy: 1.334 local terms energy: -685.112193 where: bonds (distance) C4'-P energy: -131.676 bonds (distance) P-C4' energy: -160.436 flat angles C4'-P-C4' energy: -129.991 flat angles P-C4'-P energy: -91.943 tors. eta vs tors. theta energy: -171.066 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: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1840.037832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.037832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.037832 (E_RNA) where: Base-Base interactions energy: -1188.541 where: short stacking energy: -535.666 Base-Backbone interact. energy: 1.065 local terms energy: -652.561931 where: bonds (distance) C4'-P energy: -134.947 bonds (distance) P-C4' energy: -137.749 flat angles C4'-P-C4' energy: -147.470 flat angles P-C4'-P energy: -84.003 tors. eta vs tors. theta energy: -148.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1723.568730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.568730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.568730 (E_RNA) where: Base-Base interactions energy: -1132.416 where: short stacking energy: -482.904 Base-Backbone interact. energy: 1.360 local terms energy: -592.512686 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -127.882 flat angles C4'-P-C4' energy: -137.593 flat angles P-C4'-P energy: -66.020 tors. eta vs tors. theta energy: -132.338 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: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1236.453977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.453977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.453977 (E_RNA) where: Base-Base interactions energy: -754.553 where: short stacking energy: -353.582 Base-Backbone interact. energy: -1.072 local terms energy: -480.829201 where: bonds (distance) C4'-P energy: -106.401 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -113.184 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -62.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -727.001956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.001956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.001956 (E_RNA) where: Base-Base interactions energy: -349.057 where: short stacking energy: -195.326 Base-Backbone interact. energy: -2.710 local terms energy: -375.235593 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -122.695 flat angles C4'-P-C4' energy: -102.890 flat angles P-C4'-P energy: -53.501 tors. eta vs tors. theta energy: 22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -541.714718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.714718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.714718 (E_RNA) where: Base-Base interactions energy: -179.401 where: short stacking energy: -133.183 Base-Backbone interact. energy: -2.605 local terms energy: -359.708485 where: bonds (distance) C4'-P energy: -112.430 bonds (distance) P-C4' energy: -122.210 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -46.465 tors. eta vs tors. theta energy: 29.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2652.625218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.625218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.625218 (E_RNA) where: Base-Base interactions energy: -1843.669 where: short stacking energy: -760.761 Base-Backbone interact. energy: -2.495 local terms energy: -806.461247 where: bonds (distance) C4'-P energy: -143.383 bonds (distance) P-C4' energy: -152.313 flat angles C4'-P-C4' energy: -169.731 flat angles P-C4'-P energy: -122.203 tors. eta vs tors. theta energy: -218.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2576.248256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.248256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.248256 (E_RNA) where: Base-Base interactions energy: -1804.988 where: short stacking energy: -754.304 Base-Backbone interact. energy: -2.150 local terms energy: -769.110298 where: bonds (distance) C4'-P energy: -143.350 bonds (distance) P-C4' energy: -141.914 flat angles C4'-P-C4' energy: -157.415 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -233.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2463.823166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.823166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.823166 (E_RNA) where: Base-Base interactions energy: -1703.787 where: short stacking energy: -716.920 Base-Backbone interact. energy: 0.597 local terms energy: -760.632917 where: bonds (distance) C4'-P energy: -137.768 bonds (distance) P-C4' energy: -150.038 flat angles C4'-P-C4' energy: -159.044 flat angles P-C4'-P energy: -107.281 tors. eta vs tors. theta energy: -206.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2232.105147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.105147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.105147 (E_RNA) where: Base-Base interactions energy: -1516.169 where: short stacking energy: -649.761 Base-Backbone interact. energy: -2.824 local terms energy: -713.112008 where: bonds (distance) C4'-P energy: -122.660 bonds (distance) P-C4' energy: -140.755 flat angles C4'-P-C4' energy: -160.512 flat angles P-C4'-P energy: -100.273 tors. eta vs tors. theta energy: -188.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2180.525890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.525890 (E_RNA) where: Base-Base interactions energy: -1508.230 where: short stacking energy: -644.648 Base-Backbone interact. energy: 5.272 local terms energy: -677.568345 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -141.354 flat angles C4'-P-C4' energy: -135.547 flat angles P-C4'-P energy: -98.567 tors. eta vs tors. theta energy: -173.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1809.307105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.307105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.307105 (E_RNA) where: Base-Base interactions energy: -1179.370 where: short stacking energy: -520.321 Base-Backbone interact. energy: -2.961 local terms energy: -626.976201 where: bonds (distance) C4'-P energy: -124.954 bonds (distance) P-C4' energy: -137.021 flat angles C4'-P-C4' energy: -140.525 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -140.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1664.444873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.444873 (E_RNA) where: Base-Base interactions energy: -1076.078 where: short stacking energy: -449.138 Base-Backbone interact. energy: -4.894 local terms energy: -583.472816 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -126.897 flat angles C4'-P-C4' energy: -146.931 flat angles P-C4'-P energy: -87.765 tors. eta vs tors. theta energy: -97.831 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: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1209.753367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.753367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.753367 (E_RNA) where: Base-Base interactions energy: -693.193 where: short stacking energy: -358.541 Base-Backbone interact. energy: 1.415 local terms energy: -517.976043 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -114.712 flat angles C4'-P-C4' energy: -139.090 flat angles P-C4'-P energy: -73.457 tors. eta vs tors. theta energy: -76.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -724.021073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.021073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.021073 (E_RNA) where: Base-Base interactions energy: -329.758 where: short stacking energy: -237.888 Base-Backbone interact. energy: -0.129 local terms energy: -394.134346 where: bonds (distance) C4'-P energy: -121.325 bonds (distance) P-C4' energy: -108.238 flat angles C4'-P-C4' energy: -103.671 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: 9.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -584.366057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.366057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.366057 (E_RNA) where: Base-Base interactions energy: -221.657 where: short stacking energy: -157.609 Base-Backbone interact. energy: 7.761 local terms energy: -370.469995 where: bonds (distance) C4'-P energy: -134.562 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -80.793 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: 39.008 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: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2659.731742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.731742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.731742 (E_RNA) where: Base-Base interactions energy: -1816.220 where: short stacking energy: -761.877 Base-Backbone interact. energy: -7.884 local terms energy: -835.627759 where: bonds (distance) C4'-P energy: -144.845 bonds (distance) P-C4' energy: -156.763 flat angles C4'-P-C4' energy: -178.199 flat angles P-C4'-P energy: -124.696 tors. eta vs tors. theta energy: -231.124 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: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2606.537123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.537123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.537123 (E_RNA) where: Base-Base interactions energy: -1791.450 where: short stacking energy: -751.575 Base-Backbone interact. energy: 1.680 local terms energy: -816.766363 where: bonds (distance) C4'-P energy: -148.475 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -171.115 flat angles P-C4'-P energy: -119.608 tors. eta vs tors. theta energy: -235.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2451.346310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.346310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.346310 (E_RNA) where: Base-Base interactions energy: -1695.785 where: short stacking energy: -710.478 Base-Backbone interact. energy: -2.633 local terms energy: -752.928179 where: bonds (distance) C4'-P energy: -114.117 bonds (distance) P-C4' energy: -154.976 flat angles C4'-P-C4' energy: -157.887 flat angles P-C4'-P energy: -114.590 tors. eta vs tors. theta energy: -211.359 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: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2261.292287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.292287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.292287 (E_RNA) where: Base-Base interactions energy: -1521.433 where: short stacking energy: -664.153 Base-Backbone interact. energy: -1.260 local terms energy: -738.599703 where: bonds (distance) C4'-P energy: -143.104 bonds (distance) P-C4' energy: -153.300 flat angles C4'-P-C4' energy: -158.211 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -192.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2129.865057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.865057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.865057 (E_RNA) where: Base-Base interactions energy: -1451.411 where: short stacking energy: -618.723 Base-Backbone interact. energy: -0.630 local terms energy: -677.823511 where: bonds (distance) C4'-P energy: -141.526 bonds (distance) P-C4' energy: -132.557 flat angles C4'-P-C4' energy: -143.320 flat angles P-C4'-P energy: -93.649 tors. eta vs tors. theta energy: -166.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1836.363611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.363611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.363611 (E_RNA) where: Base-Base interactions energy: -1190.507 where: short stacking energy: -523.764 Base-Backbone interact. energy: 3.555 local terms energy: -649.411325 where: bonds (distance) C4'-P energy: -134.824 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -141.044 flat angles P-C4'-P energy: -99.806 tors. eta vs tors. theta energy: -148.149 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: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1721.102393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.102393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.102393 (E_RNA) where: Base-Base interactions energy: -1161.562 where: short stacking energy: -500.663 Base-Backbone interact. energy: 6.451 local terms energy: -565.990974 where: bonds (distance) C4'-P energy: -123.216 bonds (distance) P-C4' energy: -107.255 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -79.147 tors. eta vs tors. theta energy: -115.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1239.193939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.193939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.193939 (E_RNA) where: Base-Base interactions energy: -761.446 where: short stacking energy: -370.116 Base-Backbone interact. energy: 0.166 local terms energy: -477.913158 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -115.960 flat angles C4'-P-C4' energy: -121.877 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -60.317 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: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -732.895771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.895771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.895771 (E_RNA) where: Base-Base interactions energy: -302.431 where: short stacking energy: -194.584 Base-Backbone interact. energy: -3.079 local terms energy: -427.384955 where: bonds (distance) C4'-P energy: -125.551 bonds (distance) P-C4' energy: -138.877 flat angles C4'-P-C4' energy: -99.051 flat angles P-C4'-P energy: -85.431 tors. eta vs tors. theta energy: 21.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -570.027908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.027908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.027908 (E_RNA) where: Base-Base interactions energy: -179.075 where: short stacking energy: -150.973 Base-Backbone interact. energy: -0.093 local terms energy: -390.860198 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -130.713 flat angles C4'-P-C4' energy: -115.795 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: 30.434 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: 482 Temperature: 0.900000 Total energy: -2671.008863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.008863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.008863 (E_RNA) where: Base-Base interactions energy: -1828.966 where: short stacking energy: -746.077 Base-Backbone interact. energy: -2.937 local terms energy: -839.105387 where: bonds (distance) C4'-P energy: -155.104 bonds (distance) P-C4' energy: -147.378 flat angles C4'-P-C4' energy: -174.023 flat angles P-C4'-P energy: -123.804 tors. eta vs tors. theta energy: -238.797 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: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2577.238570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.238570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.238570 (E_RNA) where: Base-Base interactions energy: -1774.988 where: short stacking energy: -748.429 Base-Backbone interact. energy: -3.122 local terms energy: -799.127772 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -173.423 flat angles P-C4'-P energy: -118.620 tors. eta vs tors. theta energy: -231.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2465.323438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.323438 (E_RNA) where: Base-Base interactions energy: -1680.896 where: short stacking energy: -709.656 Base-Backbone interact. energy: -3.636 local terms energy: -780.791371 where: bonds (distance) C4'-P energy: -138.425 bonds (distance) P-C4' energy: -144.181 flat angles C4'-P-C4' energy: -179.662 flat angles P-C4'-P energy: -111.248 tors. eta vs tors. theta energy: -207.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2319.154318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.154318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.154318 (E_RNA) where: Base-Base interactions energy: -1557.329 where: short stacking energy: -679.963 Base-Backbone interact. energy: -3.585 local terms energy: -758.241017 where: bonds (distance) C4'-P energy: -130.142 bonds (distance) P-C4' energy: -149.311 flat angles C4'-P-C4' energy: -158.411 flat angles P-C4'-P energy: -114.566 tors. eta vs tors. theta energy: -205.812 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: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2166.564630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.564630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.564630 (E_RNA) where: Base-Base interactions energy: -1473.043 where: short stacking energy: -595.969 Base-Backbone interact. energy: -5.638 local terms energy: -687.883112 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -151.921 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: -172.846 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: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1877.826428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.826428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.826428 (E_RNA) where: Base-Base interactions energy: -1203.879 where: short stacking energy: -536.123 Base-Backbone interact. energy: -0.224 local terms energy: -673.723414 where: bonds (distance) C4'-P energy: -145.501 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -166.640 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: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1660.947236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.947236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.947236 (E_RNA) where: Base-Base interactions energy: -1082.985 where: short stacking energy: -432.272 Base-Backbone interact. energy: -2.319 local terms energy: -575.643090 where: bonds (distance) C4'-P energy: -119.043 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -68.845 tors. eta vs tors. theta energy: -104.553 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: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1213.283742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.283742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.283742 (E_RNA) where: Base-Base interactions energy: -690.649 where: short stacking energy: -353.856 Base-Backbone interact. energy: -2.910 local terms energy: -519.724071 where: bonds (distance) C4'-P energy: -126.545 bonds (distance) P-C4' energy: -132.532 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -61.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -693.468647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.468647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.468647 (E_RNA) where: Base-Base interactions energy: -308.875 where: short stacking energy: -228.011 Base-Backbone interact. energy: -2.612 local terms energy: -381.981469 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -544.216647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.216647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.216647 (E_RNA) where: Base-Base interactions energy: -192.636 where: short stacking energy: -149.741 Base-Backbone interact. energy: 8.033 local terms energy: -359.612844 where: bonds (distance) C4'-P energy: -117.433 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -40.277 tors. eta vs tors. theta energy: 22.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2646.422485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.422485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.422485 (E_RNA) where: Base-Base interactions energy: -1796.362 where: short stacking energy: -756.129 Base-Backbone interact. energy: -4.745 local terms energy: -845.315758 where: bonds (distance) C4'-P energy: -168.823 bonds (distance) P-C4' energy: -148.109 flat angles C4'-P-C4' energy: -173.073 flat angles P-C4'-P energy: -113.488 tors. eta vs tors. theta energy: -241.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2601.225469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.225469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.225469 (E_RNA) where: Base-Base interactions energy: -1794.572 where: short stacking energy: -761.456 Base-Backbone interact. energy: -5.416 local terms energy: -801.237253 where: bonds (distance) C4'-P energy: -137.920 bonds (distance) P-C4' energy: -142.764 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -113.771 tors. eta vs tors. theta energy: -237.847 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: 483 Temperature: 1.000000 Total energy: -2466.342717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.342717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.342717 (E_RNA) where: Base-Base interactions energy: -1708.902 where: short stacking energy: -697.817 Base-Backbone interact. energy: -4.492 local terms energy: -752.948789 where: bonds (distance) C4'-P energy: -137.791 bonds (distance) P-C4' energy: -132.341 flat angles C4'-P-C4' energy: -161.124 flat angles P-C4'-P energy: -108.320 tors. eta vs tors. theta energy: -213.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2288.567527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.567527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.567527 (E_RNA) where: Base-Base interactions energy: -1568.822 where: short stacking energy: -646.335 Base-Backbone interact. energy: -3.241 local terms energy: -716.505008 where: bonds (distance) C4'-P energy: -140.476 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -148.208 flat angles P-C4'-P energy: -104.136 tors. eta vs tors. theta energy: -197.690 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: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2171.389791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.389791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.389791 (E_RNA) where: Base-Base interactions energy: -1466.555 where: short stacking energy: -635.047 Base-Backbone interact. energy: -2.850 local terms energy: -701.984156 where: bonds (distance) C4'-P energy: -134.963 bonds (distance) P-C4' energy: -133.122 flat angles C4'-P-C4' energy: -150.372 flat angles P-C4'-P energy: -103.185 tors. eta vs tors. theta energy: -180.341 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: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1920.277897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.277897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.277897 (E_RNA) where: Base-Base interactions energy: -1264.557 where: short stacking energy: -529.291 Base-Backbone interact. energy: -2.800 local terms energy: -652.920697 where: bonds (distance) C4'-P energy: -138.233 bonds (distance) P-C4' energy: -136.627 flat angles C4'-P-C4' energy: -148.770 flat angles P-C4'-P energy: -76.031 tors. eta vs tors. theta energy: -153.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1611.659119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.659119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.659119 (E_RNA) where: Base-Base interactions energy: -1041.620 where: short stacking energy: -453.062 Base-Backbone interact. energy: -1.263 local terms energy: -568.776467 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -125.124 flat angles P-C4'-P energy: -89.345 tors. eta vs tors. theta energy: -100.353 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: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1256.614011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.614011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.614011 (E_RNA) where: Base-Base interactions energy: -730.887 where: short stacking energy: -331.656 Base-Backbone interact. energy: -1.686 local terms energy: -524.041014 where: bonds (distance) C4'-P energy: -148.572 bonds (distance) P-C4' energy: -115.609 flat angles C4'-P-C4' energy: -122.127 flat angles P-C4'-P energy: -84.389 tors. eta vs tors. theta energy: -53.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -636.324231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.324231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.324231 (E_RNA) where: Base-Base interactions energy: -235.418 where: short stacking energy: -149.758 Base-Backbone interact. energy: -3.559 local terms energy: -397.347032 where: bonds (distance) C4'-P energy: -131.322 bonds (distance) P-C4' energy: -119.745 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: 21.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -579.931349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.931349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.931349 (E_RNA) where: Base-Base interactions energy: -209.370 where: short stacking energy: -160.084 Base-Backbone interact. energy: -2.681 local terms energy: -367.879959 where: bonds (distance) C4'-P energy: -132.236 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -96.481 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: 43.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2639.182553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.182553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.182553 (E_RNA) where: Base-Base interactions energy: -1801.761 where: short stacking energy: -755.217 Base-Backbone interact. energy: -3.320 local terms energy: -834.102025 where: bonds (distance) C4'-P energy: -149.607 bonds (distance) P-C4' energy: -166.741 flat angles C4'-P-C4' energy: -162.314 flat angles P-C4'-P energy: -124.897 tors. eta vs tors. theta energy: -230.543 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: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2576.773537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.773537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.773537 (E_RNA) where: Base-Base interactions energy: -1772.128 where: short stacking energy: -754.111 Base-Backbone interact. energy: -0.844 local terms energy: -803.801570 where: bonds (distance) C4'-P energy: -142.556 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -178.697 flat angles P-C4'-P energy: -111.297 tors. eta vs tors. theta energy: -234.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2496.594687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.594687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.594687 (E_RNA) where: Base-Base interactions energy: -1701.275 where: short stacking energy: -739.412 Base-Backbone interact. energy: -2.733 local terms energy: -792.586883 where: bonds (distance) C4'-P energy: -138.167 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -169.897 flat angles P-C4'-P energy: -120.011 tors. eta vs tors. theta energy: -229.182 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: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2272.420036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.420036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.420036 (E_RNA) where: Base-Base interactions energy: -1555.987 where: short stacking energy: -669.860 Base-Backbone interact. energy: -0.639 local terms energy: -715.794026 where: bonds (distance) C4'-P energy: -141.711 bonds (distance) P-C4' energy: -129.921 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -101.994 tors. eta vs tors. theta energy: -183.858 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: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2189.813349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.813349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.813349 (E_RNA) where: Base-Base interactions energy: -1488.257 where: short stacking energy: -645.442 Base-Backbone interact. energy: -3.235 local terms energy: -698.320804 where: bonds (distance) C4'-P energy: -128.074 bonds (distance) P-C4' energy: -137.150 flat angles C4'-P-C4' energy: -151.750 flat angles P-C4'-P energy: -99.817 tors. eta vs tors. theta energy: -181.530 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: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1899.084813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.084813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.084813 (E_RNA) where: Base-Base interactions energy: -1258.466 where: short stacking energy: -542.176 Base-Backbone interact. energy: -1.779 local terms energy: -638.840175 where: bonds (distance) C4'-P energy: -129.406 bonds (distance) P-C4' energy: -113.025 flat angles C4'-P-C4' energy: -147.573 flat angles P-C4'-P energy: -88.072 tors. eta vs tors. theta energy: -160.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1573.034918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.034918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.034918 (E_RNA) where: Base-Base interactions energy: -1007.335 where: short stacking energy: -407.465 Base-Backbone interact. energy: -3.267 local terms energy: -562.432225 where: bonds (distance) C4'-P energy: -126.538 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -138.687 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -98.942 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: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1227.310717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.310717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.310717 (E_RNA) where: Base-Base interactions energy: -707.824 where: short stacking energy: -349.087 Base-Backbone interact. energy: -4.079 local terms energy: -515.408134 where: bonds (distance) C4'-P energy: -126.411 bonds (distance) P-C4' energy: -141.796 flat angles C4'-P-C4' energy: -125.205 flat angles P-C4'-P energy: -66.658 tors. eta vs tors. theta energy: -55.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -682.254724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.254724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.254724 (E_RNA) where: Base-Base interactions energy: -271.054 where: short stacking energy: -175.261 Base-Backbone interact. energy: -1.993 local terms energy: -409.207153 where: bonds (distance) C4'-P energy: -113.868 bonds (distance) P-C4' energy: -127.820 flat angles C4'-P-C4' energy: -115.717 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: 20.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -648.895566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.895566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.895566 (E_RNA) where: Base-Base interactions energy: -286.591 where: short stacking energy: -176.169 Base-Backbone interact. energy: 1.680 local terms energy: -363.985337 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -112.981 flat angles C4'-P-C4' energy: -85.220 flat angles P-C4'-P energy: -59.851 tors. eta vs tors. theta energy: 9.971 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: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2647.530247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.530247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.530247 (E_RNA) where: Base-Base interactions energy: -1821.726 where: short stacking energy: -773.838 Base-Backbone interact. energy: -1.865 local terms energy: -823.939101 where: bonds (distance) C4'-P energy: -147.811 bonds (distance) P-C4' energy: -151.748 flat angles C4'-P-C4' energy: -178.983 flat angles P-C4'-P energy: -116.284 tors. eta vs tors. theta energy: -229.113 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: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2595.399557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.399557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.399557 (E_RNA) where: Base-Base interactions energy: -1772.774 where: short stacking energy: -726.062 Base-Backbone interact. energy: -1.494 local terms energy: -821.131547 where: bonds (distance) C4'-P energy: -136.829 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -173.036 flat angles P-C4'-P energy: -126.058 tors. eta vs tors. theta energy: -228.016 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: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2442.401180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.401180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.401180 (E_RNA) where: Base-Base interactions energy: -1662.062 where: short stacking energy: -674.182 Base-Backbone interact. energy: -3.067 local terms energy: -777.271622 where: bonds (distance) C4'-P energy: -150.207 bonds (distance) P-C4' energy: -152.194 flat angles C4'-P-C4' energy: -169.932 flat angles P-C4'-P energy: -99.645 tors. eta vs tors. theta energy: -205.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2258.540920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.540920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.540920 (E_RNA) where: Base-Base interactions energy: -1528.823 where: short stacking energy: -641.838 Base-Backbone interact. energy: 0.749 local terms energy: -730.466624 where: bonds (distance) C4'-P energy: -149.662 bonds (distance) P-C4' energy: -129.137 flat angles C4'-P-C4' energy: -168.667 flat angles P-C4'-P energy: -102.590 tors. eta vs tors. theta energy: -180.411 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: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2194.314305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.314305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.314305 (E_RNA) where: Base-Base interactions energy: -1485.150 where: short stacking energy: -669.942 Base-Backbone interact. energy: -1.389 local terms energy: -707.775564 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -135.623 flat angles C4'-P-C4' energy: -155.852 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -191.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1910.054711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.054711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.054711 (E_RNA) where: Base-Base interactions energy: -1268.013 where: short stacking energy: -568.360 Base-Backbone interact. energy: -1.534 local terms energy: -640.507442 where: bonds (distance) C4'-P energy: -125.933 bonds (distance) P-C4' energy: -127.353 flat angles C4'-P-C4' energy: -142.983 flat angles P-C4'-P energy: -93.760 tors. eta vs tors. theta energy: -150.478 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: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1600.881529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.881529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.881529 (E_RNA) where: Base-Base interactions energy: -998.032 where: short stacking energy: -439.384 Base-Backbone interact. energy: -2.853 local terms energy: -599.996277 where: bonds (distance) C4'-P energy: -133.168 bonds (distance) P-C4' energy: -127.145 flat angles C4'-P-C4' energy: -148.729 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -95.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1287.626842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.626842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.626842 (E_RNA) where: Base-Base interactions energy: -743.476 where: short stacking energy: -370.554 Base-Backbone interact. energy: 1.654 local terms energy: -545.805042 where: bonds (distance) C4'-P energy: -117.939 bonds (distance) P-C4' energy: -141.166 flat angles C4'-P-C4' energy: -144.576 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -67.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -669.251627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.251627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.251627 (E_RNA) where: Base-Base interactions energy: -261.489 where: short stacking energy: -150.532 Base-Backbone interact. energy: 1.214 local terms energy: -408.976695 where: bonds (distance) C4'-P energy: -120.846 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -94.290 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: 22.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -663.569999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.569999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.569999 (E_RNA) where: Base-Base interactions energy: -297.456 where: short stacking energy: -174.377 Base-Backbone interact. energy: -4.325 local terms energy: -361.788743 where: bonds (distance) C4'-P energy: -115.922 bonds (distance) P-C4' energy: -121.166 flat angles C4'-P-C4' energy: -102.442 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: 29.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2661.874234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.874234 (E_RNA) where: Base-Base interactions energy: -1843.887 where: short stacking energy: -779.363 Base-Backbone interact. energy: -1.529 local terms energy: -816.457878 where: bonds (distance) C4'-P energy: -146.501 bonds (distance) P-C4' energy: -149.324 flat angles C4'-P-C4' energy: -169.940 flat angles P-C4'-P energy: -113.324 tors. eta vs tors. theta energy: -237.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2576.891998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.891998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.891998 (E_RNA) where: Base-Base interactions energy: -1764.212 where: short stacking energy: -753.422 Base-Backbone interact. energy: 0.457 local terms energy: -813.136964 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -156.555 flat angles C4'-P-C4' energy: -161.068 flat angles P-C4'-P energy: -116.798 tors. eta vs tors. theta energy: -234.067 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: 486 Temperature: 1.000000 Total energy: -2459.000009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.000009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.000009 (E_RNA) where: Base-Base interactions energy: -1657.103 where: short stacking energy: -707.191 Base-Backbone interact. energy: -2.083 local terms energy: -799.814358 where: bonds (distance) C4'-P energy: -149.798 bonds (distance) P-C4' energy: -156.397 flat angles C4'-P-C4' energy: -179.873 flat angles P-C4'-P energy: -98.542 tors. eta vs tors. theta energy: -215.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2213.465585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.465585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.465585 (E_RNA) where: Base-Base interactions energy: -1481.162 where: short stacking energy: -652.157 Base-Backbone interact. energy: -0.579 local terms energy: -731.724621 where: bonds (distance) C4'-P energy: -138.157 bonds (distance) P-C4' energy: -133.670 flat angles C4'-P-C4' energy: -172.399 flat angles P-C4'-P energy: -94.806 tors. eta vs tors. theta energy: -192.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2146.942296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.942296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.942296 (E_RNA) where: Base-Base interactions energy: -1426.289 where: short stacking energy: -628.019 Base-Backbone interact. energy: -0.971 local terms energy: -719.682581 where: bonds (distance) C4'-P energy: -136.286 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -154.970 flat angles P-C4'-P energy: -105.142 tors. eta vs tors. theta energy: -182.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1930.458148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.458148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.458148 (E_RNA) where: Base-Base interactions energy: -1272.700 where: short stacking energy: -554.906 Base-Backbone interact. energy: 2.377 local terms energy: -660.135041 where: bonds (distance) C4'-P energy: -130.453 bonds (distance) P-C4' energy: -132.968 flat angles C4'-P-C4' energy: -147.743 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -170.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1626.986911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.986911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.986911 (E_RNA) where: Base-Base interactions energy: -1073.611 where: short stacking energy: -423.334 Base-Backbone interact. energy: -1.399 local terms energy: -551.976904 where: bonds (distance) C4'-P energy: -119.154 bonds (distance) P-C4' energy: -129.343 flat angles C4'-P-C4' energy: -112.758 flat angles P-C4'-P energy: -91.165 tors. eta vs tors. theta energy: -99.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1300.983032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.983032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.983032 (E_RNA) where: Base-Base interactions energy: -791.271 where: short stacking energy: -370.012 Base-Backbone interact. energy: 1.765 local terms energy: -511.476473 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -119.816 flat angles C4'-P-C4' energy: -130.938 flat angles P-C4'-P energy: -85.706 tors. eta vs tors. theta energy: -50.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -724.481567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.481567 (E_RNA) where: Base-Base interactions energy: -335.405 where: short stacking energy: -181.016 Base-Backbone interact. energy: 2.446 local terms energy: -391.521897 where: bonds (distance) C4'-P energy: -111.149 bonds (distance) P-C4' energy: -140.753 flat angles C4'-P-C4' energy: -105.981 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: 15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -606.196201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.196201 (E_RNA) where: Base-Base interactions energy: -221.025 where: short stacking energy: -175.286 Base-Backbone interact. energy: 0.954 local terms energy: -386.125156 where: bonds (distance) C4'-P energy: -125.744 bonds (distance) P-C4' energy: -128.456 flat angles C4'-P-C4' energy: -83.356 flat angles P-C4'-P energy: -64.031 tors. eta vs tors. theta energy: 15.462 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: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2665.247096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.247096 (E_RNA) where: Base-Base interactions energy: -1843.904 where: short stacking energy: -744.198 Base-Backbone interact. energy: -2.300 local terms energy: -819.043777 where: bonds (distance) C4'-P energy: -136.763 bonds (distance) P-C4' energy: -163.965 flat angles C4'-P-C4' energy: -174.372 flat angles P-C4'-P energy: -112.197 tors. eta vs tors. theta energy: -231.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2532.023919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.023919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.023919 (E_RNA) where: Base-Base interactions energy: -1742.655 where: short stacking energy: -745.184 Base-Backbone interact. energy: 2.027 local terms energy: -791.395631 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -165.500 flat angles P-C4'-P energy: -119.608 tors. eta vs tors. theta energy: -225.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2422.199098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.199098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.199098 (E_RNA) where: Base-Base interactions energy: -1660.381 where: short stacking energy: -703.900 Base-Backbone interact. energy: -1.586 local terms energy: -760.232437 where: bonds (distance) C4'-P energy: -127.556 bonds (distance) P-C4' energy: -138.700 flat angles C4'-P-C4' energy: -170.406 flat angles P-C4'-P energy: -109.151 tors. eta vs tors. theta energy: -214.420 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: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2251.394702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.394702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.394702 (E_RNA) where: Base-Base interactions energy: -1529.799 where: short stacking energy: -658.302 Base-Backbone interact. energy: -2.285 local terms energy: -719.310455 where: bonds (distance) C4'-P energy: -147.607 bonds (distance) P-C4' energy: -136.306 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -87.856 tors. eta vs tors. theta energy: -184.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2204.284500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.284500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.284500 (E_RNA) where: Base-Base interactions energy: -1465.219 where: short stacking energy: -638.012 Base-Backbone interact. energy: -5.576 local terms energy: -733.489460 where: bonds (distance) C4'-P energy: -129.959 bonds (distance) P-C4' energy: -146.673 flat angles C4'-P-C4' energy: -165.455 flat angles P-C4'-P energy: -111.669 tors. eta vs tors. theta energy: -179.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1960.824549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.824549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.824549 (E_RNA) where: Base-Base interactions energy: -1282.804 where: short stacking energy: -577.337 Base-Backbone interact. energy: -1.713 local terms energy: -676.307116 where: bonds (distance) C4'-P energy: -139.606 bonds (distance) P-C4' energy: -133.016 flat angles C4'-P-C4' energy: -140.815 flat angles P-C4'-P energy: -95.837 tors. eta vs tors. theta energy: -167.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1630.558516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.558516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.558516 (E_RNA) where: Base-Base interactions energy: -1054.177 where: short stacking energy: -468.782 Base-Backbone interact. energy: -1.831 local terms energy: -574.551177 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -138.759 flat angles P-C4'-P energy: -80.281 tors. eta vs tors. theta energy: -107.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1214.471755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.471755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.471755 (E_RNA) where: Base-Base interactions energy: -710.895 where: short stacking energy: -342.852 Base-Backbone interact. energy: -2.176 local terms energy: -501.401391 where: bonds (distance) C4'-P energy: -127.061 bonds (distance) P-C4' energy: -128.420 flat angles C4'-P-C4' energy: -120.746 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -54.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -749.698153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.698153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.698153 (E_RNA) where: Base-Base interactions energy: -321.435 where: short stacking energy: -217.309 Base-Backbone interact. energy: 1.291 local terms energy: -429.554658 where: bonds (distance) C4'-P energy: -143.559 bonds (distance) P-C4' energy: -132.550 flat angles C4'-P-C4' energy: -97.253 flat angles P-C4'-P energy: -63.720 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: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -618.435173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.435173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.435173 (E_RNA) where: Base-Base interactions energy: -222.781 where: short stacking energy: -185.308 Base-Backbone interact. energy: 0.848 local terms energy: -396.501752 where: bonds (distance) C4'-P energy: -113.701 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -72.239 tors. eta vs tors. theta energy: 5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2698.806943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.806943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.806943 (E_RNA) where: Base-Base interactions energy: -1854.320 where: short stacking energy: -742.074 Base-Backbone interact. energy: -2.029 local terms energy: -842.458351 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -164.933 flat angles C4'-P-C4' energy: -176.629 flat angles P-C4'-P energy: -119.399 tors. eta vs tors. theta energy: -230.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2586.100182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.100182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.100182 (E_RNA) where: Base-Base interactions energy: -1760.974 where: short stacking energy: -739.600 Base-Backbone interact. energy: -4.491 local terms energy: -820.634480 where: bonds (distance) C4'-P energy: -147.547 bonds (distance) P-C4' energy: -149.654 flat angles C4'-P-C4' energy: -173.194 flat angles P-C4'-P energy: -118.531 tors. eta vs tors. theta energy: -231.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2402.084277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.084277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.084277 (E_RNA) where: Base-Base interactions energy: -1652.407 where: short stacking energy: -681.010 Base-Backbone interact. energy: -6.138 local terms energy: -743.539924 where: bonds (distance) C4'-P energy: -147.566 bonds (distance) P-C4' energy: -140.652 flat angles C4'-P-C4' energy: -165.067 flat angles P-C4'-P energy: -94.176 tors. eta vs tors. theta energy: -196.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2247.539139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.539139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.539139 (E_RNA) where: Base-Base interactions energy: -1507.272 where: short stacking energy: -635.512 Base-Backbone interact. energy: -3.072 local terms energy: -737.194181 where: bonds (distance) C4'-P energy: -129.121 bonds (distance) P-C4' energy: -145.297 flat angles C4'-P-C4' energy: -166.583 flat angles P-C4'-P energy: -107.405 tors. eta vs tors. theta energy: -188.788 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: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2167.284306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.284306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.284306 (E_RNA) where: Base-Base interactions energy: -1470.147 where: short stacking energy: -630.705 Base-Backbone interact. energy: 2.736 local terms energy: -699.873220 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -135.045 flat angles C4'-P-C4' energy: -154.025 flat angles P-C4'-P energy: -101.218 tors. eta vs tors. theta energy: -177.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1923.732485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.732485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.732485 (E_RNA) where: Base-Base interactions energy: -1252.566 where: short stacking energy: -561.099 Base-Backbone interact. energy: -1.977 local terms energy: -669.190059 where: bonds (distance) C4'-P energy: -129.553 bonds (distance) P-C4' energy: -145.809 flat angles C4'-P-C4' energy: -140.143 flat angles P-C4'-P energy: -92.855 tors. eta vs tors. theta energy: -160.830 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: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1639.604346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.604346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.604346 (E_RNA) where: Base-Base interactions energy: -1078.438 where: short stacking energy: -442.567 Base-Backbone interact. energy: -1.273 local terms energy: -559.893412 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -139.229 flat angles C4'-P-C4' energy: -143.299 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -90.272 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: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1273.077607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.077607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.077607 (E_RNA) where: Base-Base interactions energy: -800.401 where: short stacking energy: -347.676 Base-Backbone interact. energy: 11.911 local terms energy: -484.587884 where: bonds (distance) C4'-P energy: -107.468 bonds (distance) P-C4' energy: -132.042 flat angles C4'-P-C4' energy: -127.506 flat angles P-C4'-P energy: -67.389 tors. eta vs tors. theta energy: -50.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -732.338649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.338649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.338649 (E_RNA) where: Base-Base interactions energy: -319.192 where: short stacking energy: -199.155 Base-Backbone interact. energy: -0.766 local terms energy: -412.380629 where: bonds (distance) C4'-P energy: -121.344 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -119.756 flat angles P-C4'-P energy: -63.099 tors. eta vs tors. theta energy: 28.410 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: 10, replica: 1 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -609.474856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.474856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.474856 (E_RNA) where: Base-Base interactions energy: -222.565 where: short stacking energy: -159.630 Base-Backbone interact. energy: -5.178 local terms energy: -381.731277 where: bonds (distance) C4'-P energy: -121.648 bonds (distance) P-C4' energy: -141.003 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -53.020 tors. eta vs tors. theta energy: 31.805 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: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2695.668543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.668543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.668543 (E_RNA) where: Base-Base interactions energy: -1852.263 where: short stacking energy: -758.833 Base-Backbone interact. energy: -0.221 local terms energy: -843.184156 where: bonds (distance) C4'-P energy: -149.673 bonds (distance) P-C4' energy: -170.150 flat angles C4'-P-C4' energy: -175.117 flat angles P-C4'-P energy: -118.015 tors. eta vs tors. theta energy: -230.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2572.097280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.097280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.097280 (E_RNA) where: Base-Base interactions energy: -1769.448 where: short stacking energy: -742.189 Base-Backbone interact. energy: -0.909 local terms energy: -801.741045 where: bonds (distance) C4'-P energy: -155.519 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -161.977 flat angles P-C4'-P energy: -117.388 tors. eta vs tors. theta energy: -222.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2472.786201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.786201 (E_RNA) where: Base-Base interactions energy: -1692.008 where: short stacking energy: -718.066 Base-Backbone interact. energy: -3.613 local terms energy: -777.165456 where: bonds (distance) C4'-P energy: -142.160 bonds (distance) P-C4' energy: -131.677 flat angles C4'-P-C4' energy: -172.794 flat angles P-C4'-P energy: -117.377 tors. eta vs tors. theta energy: -213.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2191.956119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.956119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.956119 (E_RNA) where: Base-Base interactions energy: -1461.526 where: short stacking energy: -629.346 Base-Backbone interact. energy: 1.205 local terms energy: -731.635061 where: bonds (distance) C4'-P energy: -139.693 bonds (distance) P-C4' energy: -154.708 flat angles C4'-P-C4' energy: -160.672 flat angles P-C4'-P energy: -95.871 tors. eta vs tors. theta energy: -180.691 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: 489 Temperature: 1.100000 Total energy: -2185.093816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.093816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.093816 (E_RNA) where: Base-Base interactions energy: -1467.220 where: short stacking energy: -657.677 Base-Backbone interact. energy: -4.106 local terms energy: -713.768259 where: bonds (distance) C4'-P energy: -128.905 bonds (distance) P-C4' energy: -140.674 flat angles C4'-P-C4' energy: -150.880 flat angles P-C4'-P energy: -96.029 tors. eta vs tors. theta energy: -197.280 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: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1967.240624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.240624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.240624 (E_RNA) where: Base-Base interactions energy: -1299.149 where: short stacking energy: -562.149 Base-Backbone interact. energy: -2.691 local terms energy: -665.400085 where: bonds (distance) C4'-P energy: -139.185 bonds (distance) P-C4' energy: -120.512 flat angles C4'-P-C4' energy: -151.840 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -154.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1630.106063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.106063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.106063 (E_RNA) where: Base-Base interactions energy: -1038.451 where: short stacking energy: -423.742 Base-Backbone interact. energy: 0.814 local terms energy: -592.468896 where: bonds (distance) C4'-P energy: -138.560 bonds (distance) P-C4' energy: -138.631 flat angles C4'-P-C4' energy: -134.232 flat angles P-C4'-P energy: -85.956 tors. eta vs tors. theta energy: -95.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1277.343436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.343436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.343436 (E_RNA) where: Base-Base interactions energy: -762.158 where: short stacking energy: -369.094 Base-Backbone interact. energy: -1.970 local terms energy: -513.215154 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -131.984 flat angles C4'-P-C4' energy: -137.958 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -66.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -698.969862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.969862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.969862 (E_RNA) where: Base-Base interactions energy: -284.812 where: short stacking energy: -175.200 Base-Backbone interact. energy: -3.910 local terms energy: -410.248553 where: bonds (distance) C4'-P energy: -142.564 bonds (distance) P-C4' energy: -139.487 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -49.110 tors. eta vs tors. theta energy: 17.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -643.710757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.710757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.710757 (E_RNA) where: Base-Base interactions energy: -265.760 where: short stacking energy: -165.998 Base-Backbone interact. energy: -3.959 local terms energy: -373.992149 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -125.347 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -44.380 tors. eta vs tors. theta energy: 5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2645.409869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.409869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.409869 (E_RNA) where: Base-Base interactions energy: -1819.939 where: short stacking energy: -760.617 Base-Backbone interact. energy: -4.038 local terms energy: -821.433507 where: bonds (distance) C4'-P energy: -146.692 bonds (distance) P-C4' energy: -158.306 flat angles C4'-P-C4' energy: -175.257 flat angles P-C4'-P energy: -114.007 tors. eta vs tors. theta energy: -227.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2567.027257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.027257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.027257 (E_RNA) where: Base-Base interactions energy: -1778.692 where: short stacking energy: -757.333 Base-Backbone interact. energy: -3.728 local terms energy: -784.606757 where: bonds (distance) C4'-P energy: -143.627 bonds (distance) P-C4' energy: -140.141 flat angles C4'-P-C4' energy: -166.113 flat angles P-C4'-P energy: -99.063 tors. eta vs tors. theta energy: -235.663 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: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2487.308238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.308238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.308238 (E_RNA) where: Base-Base interactions energy: -1715.366 where: short stacking energy: -690.142 Base-Backbone interact. energy: -3.746 local terms energy: -768.196019 where: bonds (distance) C4'-P energy: -137.475 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -171.640 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -201.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2270.995412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.995412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.995412 (E_RNA) where: Base-Base interactions energy: -1530.544 where: short stacking energy: -660.244 Base-Backbone interact. energy: -3.693 local terms energy: -736.758261 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -143.721 flat angles C4'-P-C4' energy: -163.961 flat angles P-C4'-P energy: -107.321 tors. eta vs tors. theta energy: -193.475 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: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2150.604661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.604661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.604661 (E_RNA) where: Base-Base interactions energy: -1419.338 where: short stacking energy: -599.322 Base-Backbone interact. energy: 2.475 local terms energy: -733.741088 where: bonds (distance) C4'-P energy: -139.440 bonds (distance) P-C4' energy: -136.157 flat angles C4'-P-C4' energy: -157.973 flat angles P-C4'-P energy: -118.280 tors. eta vs tors. theta energy: -181.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1900.974834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.974834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.974834 (E_RNA) where: Base-Base interactions energy: -1228.993 where: short stacking energy: -543.149 Base-Backbone interact. energy: 0.413 local terms energy: -672.394880 where: bonds (distance) C4'-P energy: -132.321 bonds (distance) P-C4' energy: -132.149 flat angles C4'-P-C4' energy: -147.697 flat angles P-C4'-P energy: -98.560 tors. eta vs tors. theta energy: -161.667 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: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1644.966985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.966985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.966985 (E_RNA) where: Base-Base interactions energy: -1087.886 where: short stacking energy: -453.087 Base-Backbone interact. energy: 1.999 local terms energy: -559.080302 where: bonds (distance) C4'-P energy: -107.024 bonds (distance) P-C4' energy: -121.694 flat angles C4'-P-C4' energy: -132.705 flat angles P-C4'-P energy: -86.853 tors. eta vs tors. theta energy: -110.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1232.285202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.285202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.285202 (E_RNA) where: Base-Base interactions energy: -731.638 where: short stacking energy: -348.011 Base-Backbone interact. energy: 3.252 local terms energy: -503.899430 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -131.567 flat angles C4'-P-C4' energy: -129.799 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -52.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -727.215871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.215871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.215871 (E_RNA) where: Base-Base interactions energy: -333.143 where: short stacking energy: -232.344 Base-Backbone interact. energy: -0.419 local terms energy: -393.653966 where: bonds (distance) C4'-P energy: -102.241 bonds (distance) P-C4' energy: -119.826 flat angles C4'-P-C4' energy: -87.107 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -4.455 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: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -568.149552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.149552 (E_RNA) where: Base-Base interactions energy: -193.006 where: short stacking energy: -140.080 Base-Backbone interact. energy: 3.171 local terms energy: -378.314912 where: bonds (distance) C4'-P energy: -116.065 bonds (distance) P-C4' energy: -130.375 flat angles C4'-P-C4' energy: -96.370 flat angles P-C4'-P energy: -62.058 tors. eta vs tors. theta energy: 26.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2635.425160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.425160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.425160 (E_RNA) where: Base-Base interactions energy: -1813.007 where: short stacking energy: -721.648 Base-Backbone interact. energy: -4.884 local terms energy: -817.534178 where: bonds (distance) C4'-P energy: -161.377 bonds (distance) P-C4' energy: -155.304 flat angles C4'-P-C4' energy: -168.653 flat angles P-C4'-P energy: -105.067 tors. eta vs tors. theta energy: -227.133 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: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2582.393230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.393230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.393230 (E_RNA) where: Base-Base interactions energy: -1756.724 where: short stacking energy: -775.379 Base-Backbone interact. energy: -2.389 local terms energy: -823.279849 where: bonds (distance) C4'-P energy: -141.138 bonds (distance) P-C4' energy: -153.410 flat angles C4'-P-C4' energy: -172.265 flat angles P-C4'-P energy: -113.746 tors. eta vs tors. theta energy: -242.722 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: 3, replica: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2487.393934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.393934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.393934 (E_RNA) where: Base-Base interactions energy: -1706.084 where: short stacking energy: -699.158 Base-Backbone interact. energy: -2.893 local terms energy: -778.417337 where: bonds (distance) C4'-P energy: -140.471 bonds (distance) P-C4' energy: -144.182 flat angles C4'-P-C4' energy: -157.648 flat angles P-C4'-P energy: -121.317 tors. eta vs tors. theta energy: -214.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2276.170608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.170608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.170608 (E_RNA) where: Base-Base interactions energy: -1528.529 where: short stacking energy: -657.799 Base-Backbone interact. energy: 0.471 local terms energy: -748.113025 where: bonds (distance) C4'-P energy: -143.964 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -169.545 flat angles P-C4'-P energy: -100.554 tors. eta vs tors. theta energy: -188.832 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: 491 Temperature: 1.100000 Total energy: -2166.359719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.359719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.359719 (E_RNA) where: Base-Base interactions energy: -1471.073 where: short stacking energy: -640.789 Base-Backbone interact. energy: -3.340 local terms energy: -691.946708 where: bonds (distance) C4'-P energy: -126.074 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -155.481 flat angles P-C4'-P energy: -86.295 tors. eta vs tors. theta energy: -175.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1870.331892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.331892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.331892 (E_RNA) where: Base-Base interactions energy: -1205.958 where: short stacking energy: -536.208 Base-Backbone interact. energy: -3.267 local terms energy: -661.107822 where: bonds (distance) C4'-P energy: -135.566 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -140.494 flat angles P-C4'-P energy: -97.738 tors. eta vs tors. theta energy: -140.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1623.349397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.349397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.349397 (E_RNA) where: Base-Base interactions energy: -1025.857 where: short stacking energy: -434.332 Base-Backbone interact. energy: -0.152 local terms energy: -597.340616 where: bonds (distance) C4'-P energy: -131.850 bonds (distance) P-C4' energy: -139.935 flat angles C4'-P-C4' energy: -137.546 flat angles P-C4'-P energy: -82.836 tors. eta vs tors. theta energy: -105.173 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: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1136.878560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.878560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.878560 (E_RNA) where: Base-Base interactions energy: -652.189 where: short stacking energy: -310.874 Base-Backbone interact. energy: -5.092 local terms energy: -479.598020 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -115.948 flat angles P-C4'-P energy: -63.839 tors. eta vs tors. theta energy: -50.237 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: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -755.905092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.905092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.905092 (E_RNA) where: Base-Base interactions energy: -347.198 where: short stacking energy: -186.570 Base-Backbone interact. energy: 3.626 local terms energy: -412.333126 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -126.495 flat angles C4'-P-C4' energy: -114.651 flat angles P-C4'-P energy: -55.142 tors. eta vs tors. theta energy: 16.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -552.938065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.938065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.938065 (E_RNA) where: Base-Base interactions energy: -177.519 where: short stacking energy: -144.051 Base-Backbone interact. energy: 1.848 local terms energy: -377.266353 where: bonds (distance) C4'-P energy: -111.332 bonds (distance) P-C4' energy: -146.901 flat angles C4'-P-C4' energy: -99.597 flat angles P-C4'-P energy: -57.132 tors. eta vs tors. theta energy: 37.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2601.106691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.106691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.106691 (E_RNA) where: Base-Base interactions energy: -1795.564 where: short stacking energy: -740.476 Base-Backbone interact. energy: -2.675 local terms energy: -802.868341 where: bonds (distance) C4'-P energy: -154.008 bonds (distance) P-C4' energy: -153.672 flat angles C4'-P-C4' energy: -166.692 flat angles P-C4'-P energy: -95.703 tors. eta vs tors. theta energy: -232.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2550.908652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.908652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.908652 (E_RNA) where: Base-Base interactions energy: -1749.926 where: short stacking energy: -738.095 Base-Backbone interact. energy: -2.171 local terms energy: -798.811944 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -152.302 flat angles C4'-P-C4' energy: -166.827 flat angles P-C4'-P energy: -120.832 tors. eta vs tors. theta energy: -221.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2467.252047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.252047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.252047 (E_RNA) where: Base-Base interactions energy: -1685.747 where: short stacking energy: -726.978 Base-Backbone interact. energy: -3.846 local terms energy: -777.658695 where: bonds (distance) C4'-P energy: -154.007 bonds (distance) P-C4' energy: -141.258 flat angles C4'-P-C4' energy: -168.890 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -206.946 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: 3 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2302.529036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.529036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.529036 (E_RNA) where: Base-Base interactions energy: -1556.941 where: short stacking energy: -648.019 Base-Backbone interact. energy: -0.629 local terms energy: -744.958740 where: bonds (distance) C4'-P energy: -144.615 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -194.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2158.961183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.961183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.961183 (E_RNA) where: Base-Base interactions energy: -1465.464 where: short stacking energy: -614.260 Base-Backbone interact. energy: -2.499 local terms energy: -690.998449 where: bonds (distance) C4'-P energy: -127.828 bonds (distance) P-C4' energy: -132.644 flat angles C4'-P-C4' energy: -144.873 flat angles P-C4'-P energy: -105.088 tors. eta vs tors. theta energy: -180.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1904.263365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.263365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.263365 (E_RNA) where: Base-Base interactions energy: -1277.842 where: short stacking energy: -547.591 Base-Backbone interact. energy: 2.403 local terms energy: -628.824983 where: bonds (distance) C4'-P energy: -123.434 bonds (distance) P-C4' energy: -116.982 flat angles C4'-P-C4' energy: -136.547 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -149.691 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: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1620.518581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.518581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.518581 (E_RNA) where: Base-Base interactions energy: -998.884 where: short stacking energy: -437.187 Base-Backbone interact. energy: 1.717 local terms energy: -623.351800 where: bonds (distance) C4'-P energy: -135.508 bonds (distance) P-C4' energy: -132.246 flat angles C4'-P-C4' energy: -133.320 flat angles P-C4'-P energy: -91.687 tors. eta vs tors. theta energy: -130.591 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: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1155.409370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.409370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.409370 (E_RNA) where: Base-Base interactions energy: -672.937 where: short stacking energy: -299.390 Base-Backbone interact. energy: 2.885 local terms energy: -485.356700 where: bonds (distance) C4'-P energy: -123.608 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -113.763 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -30.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -812.646989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.646989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.646989 (E_RNA) where: Base-Base interactions energy: -389.136 where: short stacking energy: -230.115 Base-Backbone interact. energy: 2.664 local terms energy: -426.175250 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -118.126 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -587.476353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.476353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.476353 (E_RNA) where: Base-Base interactions energy: -188.527 where: short stacking energy: -142.688 Base-Backbone interact. energy: -5.168 local terms energy: -393.781001 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -122.538 flat angles C4'-P-C4' energy: -116.345 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: 26.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2660.201735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.201735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.201735 (E_RNA) where: Base-Base interactions energy: -1834.329 where: short stacking energy: -772.694 Base-Backbone interact. energy: -0.021 local terms energy: -825.851724 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -153.468 flat angles C4'-P-C4' energy: -173.895 flat angles P-C4'-P energy: -112.818 tors. eta vs tors. theta energy: -238.811 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: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2565.366622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.366622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.366622 (E_RNA) where: Base-Base interactions energy: -1781.348 where: short stacking energy: -750.249 Base-Backbone interact. energy: 1.457 local terms energy: -785.475409 where: bonds (distance) C4'-P energy: -134.914 bonds (distance) P-C4' energy: -142.279 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -109.856 tors. eta vs tors. theta energy: -229.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2473.749851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.749851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.749851 (E_RNA) where: Base-Base interactions energy: -1687.169 where: short stacking energy: -710.359 Base-Backbone interact. energy: -2.584 local terms energy: -783.996401 where: bonds (distance) C4'-P energy: -152.253 bonds (distance) P-C4' energy: -151.498 flat angles C4'-P-C4' energy: -160.136 flat angles P-C4'-P energy: -106.980 tors. eta vs tors. theta energy: -213.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2259.419641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.419641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.419641 (E_RNA) where: Base-Base interactions energy: -1573.098 where: short stacking energy: -670.309 Base-Backbone interact. energy: -0.732 local terms energy: -685.589738 where: bonds (distance) C4'-P energy: -113.343 bonds (distance) P-C4' energy: -119.333 flat angles C4'-P-C4' energy: -156.179 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -198.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2186.665805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.665805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.665805 (E_RNA) where: Base-Base interactions energy: -1485.907 where: short stacking energy: -635.100 Base-Backbone interact. energy: -5.228 local terms energy: -695.530448 where: bonds (distance) C4'-P energy: -142.461 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -148.077 flat angles P-C4'-P energy: -94.233 tors. eta vs tors. theta energy: -183.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1974.908298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.908298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.908298 (E_RNA) where: Base-Base interactions energy: -1306.759 where: short stacking energy: -578.313 Base-Backbone interact. energy: -0.538 local terms energy: -667.612252 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -147.881 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -159.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1564.709295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.709295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.709295 (E_RNA) where: Base-Base interactions energy: -1021.760 where: short stacking energy: -438.579 Base-Backbone interact. energy: 0.808 local terms energy: -543.757313 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -123.040 flat angles C4'-P-C4' energy: -124.324 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: -104.412 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: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1221.167250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.167250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.167250 (E_RNA) where: Base-Base interactions energy: -743.323 where: short stacking energy: -349.268 Base-Backbone interact. energy: 1.289 local terms energy: -479.132701 where: bonds (distance) C4'-P energy: -120.229 bonds (distance) P-C4' energy: -115.546 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -51.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -772.623075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.623075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.623075 (E_RNA) where: Base-Base interactions energy: -350.239 where: short stacking energy: -208.819 Base-Backbone interact. energy: 3.924 local terms energy: -426.307983 where: bonds (distance) C4'-P energy: -127.403 bonds (distance) P-C4' energy: -148.805 flat angles C4'-P-C4' energy: -96.616 flat angles P-C4'-P energy: -71.147 tors. eta vs tors. theta energy: 17.663 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: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -568.991372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.991372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.991372 (E_RNA) where: Base-Base interactions energy: -232.739 where: short stacking energy: -162.715 Base-Backbone interact. energy: 5.696 local terms energy: -341.947556 where: bonds (distance) C4'-P energy: -123.867 bonds (distance) P-C4' energy: -118.171 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -31.777 tors. eta vs tors. theta energy: 25.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2686.129682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.129682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.129682 (E_RNA) where: Base-Base interactions energy: -1852.254 where: short stacking energy: -789.934 Base-Backbone interact. energy: -1.469 local terms energy: -832.406421 where: bonds (distance) C4'-P energy: -148.441 bonds (distance) P-C4' energy: -165.904 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -105.405 tors. eta vs tors. theta energy: -230.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2548.153274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.153274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.153274 (E_RNA) where: Base-Base interactions energy: -1758.765 where: short stacking energy: -741.624 Base-Backbone interact. energy: 2.987 local terms energy: -792.375624 where: bonds (distance) C4'-P energy: -148.152 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -170.970 flat angles P-C4'-P energy: -116.032 tors. eta vs tors. theta energy: -230.267 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: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2479.630222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.630222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.630222 (E_RNA) where: Base-Base interactions energy: -1710.073 where: short stacking energy: -713.458 Base-Backbone interact. energy: -3.090 local terms energy: -766.466337 where: bonds (distance) C4'-P energy: -128.211 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -157.276 flat angles P-C4'-P energy: -114.673 tors. eta vs tors. theta energy: -209.973 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: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2259.416949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.416949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.416949 (E_RNA) where: Base-Base interactions energy: -1543.641 where: short stacking energy: -630.364 Base-Backbone interact. energy: 0.387 local terms energy: -716.163158 where: bonds (distance) C4'-P energy: -132.578 bonds (distance) P-C4' energy: -130.893 flat angles C4'-P-C4' energy: -165.777 flat angles P-C4'-P energy: -108.242 tors. eta vs tors. theta energy: -178.674 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: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2181.705210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.705210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.705210 (E_RNA) where: Base-Base interactions energy: -1475.043 where: short stacking energy: -628.626 Base-Backbone interact. energy: -0.669 local terms energy: -705.993034 where: bonds (distance) C4'-P energy: -141.799 bonds (distance) P-C4' energy: -142.206 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -93.184 tors. eta vs tors. theta energy: -177.228 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: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1868.369014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.369014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.369014 (E_RNA) where: Base-Base interactions energy: -1246.113 where: short stacking energy: -540.870 Base-Backbone interact. energy: -2.599 local terms energy: -619.656707 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -142.513 flat angles C4'-P-C4' energy: -139.738 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -135.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1509.696528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.696528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.696528 (E_RNA) where: Base-Base interactions energy: -966.753 where: short stacking energy: -412.129 Base-Backbone interact. energy: -1.600 local terms energy: -541.343199 where: bonds (distance) C4'-P energy: -110.558 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -127.471 flat angles P-C4'-P energy: -77.115 tors. eta vs tors. theta energy: -90.529 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: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1219.731743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.731743 (E_RNA) where: Base-Base interactions energy: -713.662 where: short stacking energy: -332.450 Base-Backbone interact. energy: 5.948 local terms energy: -512.017522 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -133.442 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -83.751 tors. eta vs tors. theta energy: -54.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -756.217287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.217287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.217287 (E_RNA) where: Base-Base interactions energy: -344.739 where: short stacking energy: -199.373 Base-Backbone interact. energy: 0.149 local terms energy: -411.626636 where: bonds (distance) C4'-P energy: -119.146 bonds (distance) P-C4' energy: -146.083 flat angles C4'-P-C4' energy: -95.384 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: 11.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -564.066089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.066089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.066089 (E_RNA) where: Base-Base interactions energy: -232.220 where: short stacking energy: -157.325 Base-Backbone interact. energy: 7.357 local terms energy: -339.202750 where: bonds (distance) C4'-P energy: -104.921 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -102.834 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: 40.376 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) DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2623.259117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.259117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.259117 (E_RNA) where: Base-Base interactions energy: -1817.015 where: short stacking energy: -745.940 Base-Backbone interact. energy: -0.258 local terms energy: -805.985782 where: bonds (distance) C4'-P energy: -138.829 bonds (distance) P-C4' energy: -146.558 flat angles C4'-P-C4' energy: -180.745 flat angles P-C4'-P energy: -107.158 tors. eta vs tors. theta energy: -232.695 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: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2561.089778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.089778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.089778 (E_RNA) where: Base-Base interactions energy: -1745.279 where: short stacking energy: -751.589 Base-Backbone interact. energy: -2.373 local terms energy: -813.438248 where: bonds (distance) C4'-P energy: -149.043 bonds (distance) P-C4' energy: -146.531 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -125.827 tors. eta vs tors. theta energy: -219.968 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: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2460.007982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.007982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.007982 (E_RNA) where: Base-Base interactions energy: -1672.944 where: short stacking energy: -715.230 Base-Backbone interact. energy: 0.430 local terms energy: -787.493722 where: bonds (distance) C4'-P energy: -154.436 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -169.231 flat angles P-C4'-P energy: -108.536 tors. eta vs tors. theta energy: -210.175 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2242.450912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.450912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.450912 (E_RNA) where: Base-Base interactions energy: -1527.681 where: short stacking energy: -632.118 Base-Backbone interact. energy: -1.509 local terms energy: -713.261880 where: bonds (distance) C4'-P energy: -151.004 bonds (distance) P-C4' energy: -132.196 flat angles C4'-P-C4' energy: -150.763 flat angles P-C4'-P energy: -94.011 tors. eta vs tors. theta energy: -185.287 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: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2253.787282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.787282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.787282 (E_RNA) where: Base-Base interactions energy: -1550.720 where: short stacking energy: -655.640 Base-Backbone interact. energy: 4.676 local terms energy: -707.743777 where: bonds (distance) C4'-P energy: -135.908 bonds (distance) P-C4' energy: -123.718 flat angles C4'-P-C4' energy: -159.236 flat angles P-C4'-P energy: -92.416 tors. eta vs tors. theta energy: -196.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1934.700187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.700187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.700187 (E_RNA) where: Base-Base interactions energy: -1276.340 where: short stacking energy: -602.307 Base-Backbone interact. energy: -4.355 local terms energy: -654.005285 where: bonds (distance) C4'-P energy: -125.410 bonds (distance) P-C4' energy: -129.292 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -100.041 tors. eta vs tors. theta energy: -169.267 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: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1542.899311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.899311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.899311 (E_RNA) where: Base-Base interactions energy: -1002.307 where: short stacking energy: -428.918 Base-Backbone interact. energy: 5.966 local terms energy: -546.558117 where: bonds (distance) C4'-P energy: -134.791 bonds (distance) P-C4' energy: -122.719 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: -86.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1224.229781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.229781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.229781 (E_RNA) where: Base-Base interactions energy: -744.745 where: short stacking energy: -343.821 Base-Backbone interact. energy: -2.783 local terms energy: -476.702162 where: bonds (distance) C4'-P energy: -109.297 bonds (distance) P-C4' energy: -138.691 flat angles C4'-P-C4' energy: -113.552 flat angles P-C4'-P energy: -73.910 tors. eta vs tors. theta energy: -41.252 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: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -718.130950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.130950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.130950 (E_RNA) where: Base-Base interactions energy: -322.771 where: short stacking energy: -169.748 Base-Backbone interact. energy: -1.139 local terms energy: -394.220757 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -156.617 flat angles C4'-P-C4' energy: -106.363 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: 39.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -540.261054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.261054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.261054 (E_RNA) where: Base-Base interactions energy: -182.204 where: short stacking energy: -126.052 Base-Backbone interact. energy: -3.105 local terms energy: -354.951869 where: bonds (distance) C4'-P energy: -121.647 bonds (distance) P-C4' energy: -118.323 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -69.043 tors. eta vs tors. theta energy: 36.698 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)